diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 44a5ced761..c7abfebf3a 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -1,6 +1,6 @@ # Contributing to LAMMPS via GitHub -Thank your for considering to contribute to the LAMMPS software project. +Thank you for considering to contribute to the LAMMPS software project. The following is a set of guidelines as well as explanations of policies and work flows for contributing to the LAMMPS molecular dynamics software project. These guidelines focus on submitting issues or pull requests on the LAMMPS GitHub project. diff --git a/.gitignore b/.gitignore index a89f75cc9a..4faef4b8db 100644 --- a/.gitignore +++ b/.gitignore @@ -57,3 +57,6 @@ out/x86 out/x64 src/Makefile.package-e src/Makefile.package.settings-e +/cmake/build/x64-Debug-Clang +/install/x64-GUI-MSVC +/install diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 88b7ec422e..b075fc8f8d 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -1,8 +1,9 @@ +# -*- CMake -*- master configuration file for building LAMMPS ######################################## # CMake build system # This file is part of LAMMPS # Created by Christoph Junghans and Richard Berger -cmake_minimum_required(VERSION 3.10) +cmake_minimum_required(VERSION 3.16) ######################################## # set policy to silence warnings about ignoring _ROOT but use it if(POLICY CMP0074) @@ -12,22 +13,11 @@ endif() if(POLICY CMP0075) cmake_policy(SET CMP0075 NEW) endif() -# set policy to silence warnings about missing executable permissions in -# pythonx.y-config when cross-compiling. review occasionally if it may be set to NEW -if(POLICY CMP0109) - cmake_policy(SET CMP0109 OLD) -endif() # set policy to silence warnings about timestamps of downloaded files. review occasionally if it may be set to NEW if(POLICY CMP0135) cmake_policy(SET CMP0135 OLD) endif() -######################################## -# Use CONFIGURE_DEPENDS as option for file(GLOB...) when available -if(CMAKE_VERSION VERSION_LESS 3.12) - unset(CONFIGURE_DEPENDS) -else() - set(CONFIGURE_DEPENDS CONFIGURE_DEPENDS) -endif() + ######################################## project(lammps CXX) @@ -136,15 +126,15 @@ if((PKG_KOKKOS) AND (Kokkos_ENABLE_CUDA) AND NOT (CMAKE_CXX_COMPILER_ID STREQUAL set(CMAKE_TUNE_DEFAULT "${CMAKE_TUNE_DEFAULT} -Xcudafe --diag_suppress=unrecognized_pragma") endif() -# we require C++11 without extensions. Kokkos requires at least C++14 (currently) +# we require C++11 without extensions. Kokkos requires at least C++17 (currently) if(NOT CMAKE_CXX_STANDARD) set(CMAKE_CXX_STANDARD 11) endif() if(CMAKE_CXX_STANDARD LESS 11) message(FATAL_ERROR "C++ standard must be set to at least 11") endif() -if(PKG_KOKKOS AND (CMAKE_CXX_STANDARD LESS 14)) - set(CMAKE_CXX_STANDARD 14) +if(PKG_KOKKOS AND (CMAKE_CXX_STANDARD LESS 17)) + set(CMAKE_CXX_STANDARD 17) endif() set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF CACHE BOOL "Use compiler extensions") @@ -155,6 +145,7 @@ if(MSVC) add_compile_options(/Zc:__cplusplus) add_compile_options(/wd4244) add_compile_options(/wd4267) + add_compile_options(/wd4250) add_compile_options(/EHsc) endif() add_compile_definitions(_CRT_SECURE_NO_WARNINGS) @@ -192,6 +183,7 @@ option(BUILD_SHARED_LIBS "Build shared library" OFF) option(CMAKE_POSITION_INDEPENDENT_CODE "Create object compatible with shared libraries" ON) option(BUILD_TOOLS "Build and install LAMMPS tools (msi2lmp, binary2txt, chain)" OFF) option(BUILD_LAMMPS_SHELL "Build and install the LAMMPS shell" OFF) +option(BUILD_LAMMPS_GUI "Build and install the LAMMPS GUI" OFF) # Support using clang-tidy for C++ files with selected options set(ENABLE_CLANG_TIDY OFF CACHE BOOL "Include clang-tidy processing when compiling") @@ -202,8 +194,8 @@ else() endif() include(GNUInstallDirs) -file(GLOB ALL_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_SOURCE_DIR}/[^.]*.cpp) -file(GLOB MAIN_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_SOURCE_DIR}/main.cpp) +file(GLOB ALL_SOURCES CONFIGURE_DEPENDS ${LAMMPS_SOURCE_DIR}/[^.]*.cpp) +file(GLOB MAIN_SOURCES CONFIGURE_DEPENDS ${LAMMPS_SOURCE_DIR}/main.cpp) list(REMOVE_ITEM ALL_SOURCES ${MAIN_SOURCES}) add_library(lammps ${ALL_SOURCES}) @@ -277,8 +269,6 @@ set(STANDARD_PACKAGES MOFFF MOLECULE MOLFILE - MPIIO - MSCG NETCDF ORIENT PERI @@ -384,15 +374,9 @@ if(NOT ${LAMMPS_MEMALIGN} STREQUAL "0") target_compile_definitions(lammps PRIVATE -DLAMMPS_MEMALIGN=${LAMMPS_MEMALIGN}) endif() -option(LAMMPS_EXCEPTIONS "enable the use of C++ exceptions for error messages (useful for library interface)" ${ENABLE_TESTING}) -if(LAMMPS_EXCEPTIONS) - target_compile_definitions(lammps PUBLIC -DLAMMPS_EXCEPTIONS) -endif() - # "hard" dependencies between packages resulting # in an error instead of skipping over files pkg_depends(ML-IAP ML-SNAP) -pkg_depends(MPIIO MPI) pkg_depends(ATC MANYBODY) pkg_depends(LATBOLTZ MPI) pkg_depends(SCAFACOS MPI) @@ -403,6 +387,7 @@ pkg_depends(CG-DNA MOLECULE) pkg_depends(CG-DNA ASPHERE) pkg_depends(ELECTRODE KSPACE) pkg_depends(EXTRA-MOLECULE MOLECULE) +pkg_depends(MESONT MOLECULE) # detect if we may enable OpenMP support by default set(BUILD_OMP_DEFAULT OFF) @@ -440,14 +425,14 @@ if(BUILD_OMP) target_link_libraries(lmp PRIVATE OpenMP::OpenMP_CXX) endif() -if(PKG_MSCG OR PKG_ATC OR PKG_AWPMD OR PKG_ML-QUIP OR PKG_ML-POD OR PKG_ELECTRODE OR BUILD_TOOLS) +if(PKG_ATC OR PKG_AWPMD OR PKG_ML-QUIP OR PKG_ML-POD OR PKG_ELECTRODE OR BUILD_TOOLS) enable_language(C) if (NOT USE_INTERNAL_LINALG) find_package(LAPACK) find_package(BLAS) endif() if(NOT LAPACK_FOUND OR NOT BLAS_FOUND OR USE_INTERNAL_LINALG) - file(GLOB LINALG_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.cpp) + file(GLOB LINALG_SOURCES CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/linalg/[^.]*.cpp) add_library(linalg STATIC ${LINALG_SOURCES}) set_target_properties(linalg PROPERTIES OUTPUT_NAME lammps_linalg${LAMMPS_MACHINE}) set(BLAS_LIBRARIES "$") @@ -465,12 +450,7 @@ option(WITH_JPEG "Enable JPEG support" ${JPEG_FOUND}) if(WITH_JPEG) find_package(JPEG REQUIRED) target_compile_definitions(lammps PRIVATE -DLAMMPS_JPEG) - if(CMAKE_VERSION VERSION_LESS 3.12) - target_include_directories(lammps PRIVATE ${JPEG_INCLUDE_DIRS}) - target_link_libraries(lammps PRIVATE ${JPEG_LIBRARIES}) - else() - target_link_libraries(lammps PRIVATE JPEG::JPEG) - endif() + target_link_libraries(lammps PRIVATE JPEG::JPEG) endif() find_package(PNG QUIET) @@ -520,7 +500,7 @@ else() endif() foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI COLVARS ML-HDNNP MDI MOLFILE NETCDF - PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM MSCG COMPRESS ML-PACE LEPTON) + PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM COMPRESS ML-PACE LEPTON) if(PKG_${PKG_WITH_INCL}) include(Packages/${PKG_WITH_INCL}) endif() @@ -582,8 +562,8 @@ endforeach() foreach(PKG ${STANDARD_PACKAGES}) set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG}) - file(GLOB ${PKG}_SOURCES ${CONFIGURE_DEPENDS} ${${PKG}_SOURCES_DIR}/[^.]*.cpp) - file(GLOB ${PKG}_HEADERS ${CONFIGURE_DEPENDS} ${${PKG}_SOURCES_DIR}/[^.]*.h) + file(GLOB ${PKG}_SOURCES CONFIGURE_DEPENDS ${${PKG}_SOURCES_DIR}/[^.]*.cpp) + file(GLOB ${PKG}_HEADERS CONFIGURE_DEPENDS ${${PKG}_SOURCES_DIR}/[^.]*.h) # check for package files in src directory due to old make system DetectBuildSystemConflict(${LAMMPS_SOURCE_DIR} ${${PKG}_SOURCES} ${${PKG}_HEADERS}) @@ -599,19 +579,12 @@ foreach(PKG ${STANDARD_PACKAGES}) RegisterPackages(${${PKG}_SOURCES_DIR}) endforeach() -# packages that need defines set -foreach(PKG MPIIO) - if(PKG_${PKG}) - target_compile_definitions(lammps PRIVATE -DLMP_${PKG}) - endif() -endforeach() - # dedicated check for entire contents of accelerator packages foreach(PKG ${SUFFIX_PACKAGES}) set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG}) - file(GLOB ${PKG}_SOURCES ${CONFIGURE_DEPENDS} ${${PKG}_SOURCES_DIR}/[^.]*.cpp) - file(GLOB ${PKG}_HEADERS ${CONFIGURE_DEPENDS} ${${PKG}_SOURCES_DIR}/[^.]*.h) + file(GLOB ${PKG}_SOURCES CONFIGURE_DEPENDS ${${PKG}_SOURCES_DIR}/[^.]*.cpp) + file(GLOB ${PKG}_HEADERS CONFIGURE_DEPENDS ${${PKG}_SOURCES_DIR}/[^.]*.h) # check for package files in src directory due to old make system DetectBuildSystemConflict(${LAMMPS_SOURCE_DIR} ${${PKG}_SOURCES} ${${PKG}_HEADERS}) @@ -625,7 +598,7 @@ endforeach() foreach(PKG_LIB POEMS ATC AWPMD H5MD) if(PKG_${PKG_LIB}) string(TOLOWER "${PKG_LIB}" PKG_LIB) - file(GLOB_RECURSE ${PKG_LIB}_SOURCES ${CONFIGURE_DEPENDS} + file(GLOB_RECURSE ${PKG_LIB}_SOURCES CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/[^.]*.c ${LAMMPS_LIB_SOURCE_DIR}/${PKG_LIB}/[^.]*.cpp) add_library(${PKG_LIB} STATIC ${${PKG_LIB}_SOURCES}) set_target_properties(${PKG_LIB} PROPERTIES OUTPUT_NAME lammps_${PKG_LIB}${LAMMPS_MACHINE}) @@ -795,9 +768,11 @@ include(Tools) include(Documentation) ############################################################################### -# Install potential and force field files in data directory +# Install bench, potential and force field files in data directory ############################################################################### -set(LAMMPS_INSTALL_DATADIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps) +set(LAMMPS_INSTALL_DATADIR ${CMAKE_INSTALL_DATADIR}/lammps) + +install(DIRECTORY ${LAMMPS_DIR}/bench DESTINATION ${LAMMPS_INSTALL_DATADIR}) install(DIRECTORY ${LAMMPS_POTENTIALS_DIR} DESTINATION ${LAMMPS_INSTALL_DATADIR}) if(BUILD_TOOLS) install(DIRECTORY ${LAMMPS_TOOLS_DIR}/msi2lmp/frc_files DESTINATION ${LAMMPS_INSTALL_DATADIR}) @@ -818,20 +793,11 @@ install( # This is primarily for people that only want to use the Python wrapper. ############################################################################### if(BUILD_SHARED_LIBS) - if(CMAKE_VERSION VERSION_LESS 3.12) - # adjust so we find Python 3 versions before Python 2 on old systems with old CMake - set(Python_ADDITIONAL_VERSIONS 3.12 3.11 3.10 3.9 3.8 3.7 3.6) - find_package(PythonInterp) # Deprecated since version 3.12 - if(PYTHONINTERP_FOUND) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() - else() - # backward compatibility - if(PYTHON_EXECUTABLE) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() - find_package(Python COMPONENTS Interpreter) + # backward compatibility + if(PYTHON_EXECUTABLE) + set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) endif() + find_package(Python COMPONENTS Interpreter) if(BUILD_IS_MULTI_CONFIG) set(MY_BUILD_DIR ${CMAKE_BINARY_DIR}/$) else() @@ -890,13 +856,23 @@ else() endif() include(FeatureSummary) feature_summary(DESCRIPTION "The following tools and libraries have been found and configured:" WHAT PACKAGES_FOUND) +if(GIT_FOUND AND EXISTS ${LAMMPS_DIR}/.git) + execute_process(COMMAND ${GIT_EXECUTABLE} describe --dirty=-modified --always + OUTPUT_VARIABLE GIT_DESCRIBE + ERROR_QUIET + WORKING_DIRECTORY ${LAMMPS_DIR} + OUTPUT_STRIP_TRAILING_WHITESPACE) +endif() message(STATUS "<<< Build configuration >>> - LAMMPS Version: ${PROJECT_VERSION} + LAMMPS Version: ${PROJECT_VERSION} ${GIT_DESCRIBE} Operating System: ${CMAKE_SYSTEM_NAME} ${CMAKE_LINUX_DISTRO} ${CMAKE_DISTRO_VERSION} CMake Version: ${CMAKE_VERSION} Build type: ${LAMMPS_BUILD_TYPE} Install path: ${CMAKE_INSTALL_PREFIX} Generator: ${CMAKE_GENERATOR} using ${CMAKE_MAKE_PROGRAM}") +if(CMAKE_CROSSCOMPILING) + message(STATUS "Cross compiling on ${CMAKE_HOST_SYSTEM}") +endif() ############################################################################### # Print package summary ############################################################################### @@ -940,11 +916,9 @@ if(_index GREATER -1) endif() message(STATUS "<<< Linker flags: >>>") message(STATUS "Executable name: ${LAMMPS_BINARY}") -if(CMAKE_VERSION VERSION_GREATER_EQUAL 3.13) - get_target_property(OPTIONS lammps LINK_OPTIONS) - if(OPTIONS) - message(STATUS "Linker options: ${OPTIONS}") - endif() +get_target_property(OPTIONS lammps LINK_OPTIONS) +if(OPTIONS) + message(STATUS "Linker options: ${OPTIONS}") endif() if(CMAKE_EXE_LINKER_FLAGS) message(STATUS "Executable linker flags: ${CMAKE_EXE_LINKER_FLAGS}") @@ -1025,6 +999,14 @@ endif() if(BUILD_LAMMPS_SHELL) message(STATUS "<<< Building LAMMPS Shell >>>") endif() +if(BUILD_LAMMPS_GUI) + message(STATUS "<<< Building LAMMPS GUI >>>") + if(LAMMPS_GUI_USE_PLUGIN) + message(STATUS "Loading LAMMPS library as plugin at run time") + else() + message(STATUS "Linking LAMMPS library at compile time") + endif() +endif() if(ENABLE_TESTING) message(STATUS "<<< Building Unit Tests >>>") if(ENABLE_COVERAGE) diff --git a/cmake/CMakeSettings.json b/cmake/CMakeSettings.json index 205b443bf1..c880962535 100644 --- a/cmake/CMakeSettings.json +++ b/cmake/CMakeSettings.json @@ -63,6 +63,11 @@ "name": "ENABLE_TESTING", "value": "True", "type": "BOOL" + }, + { + "name": "BUILD_LAMMPS_GUI", + "value": "False", + "type": "BOOL" } ] }, @@ -303,6 +308,54 @@ "type": "STRING" } ] + }, + { + "name": "x64-GUI-MSVC", + "generator": "Ninja", + "configurationType": "Release", + "buildRoot": "${workspaceRoot}\\build\\${name}", + "installRoot": "${workspaceRoot}\\install\\${name}", + "cmakeCommandArgs": "-C ${workspaceRoot}\\cmake\\presets\\windows.cmake -D QT_DIR=C:\\Qt\\5.15.2\\msvc2019_64\\lib\\cmake\\Qt5 -D Qt5_DIR=C:\\Qt\\5.15.2\\msvc2019_64\\lib\\cmake\\Qt5", + "buildCommandArgs": "", + "ctestCommandArgs": "-V", + "inheritEnvironments": [ "msvc_x64_x64" ], + "variables": [ + { + "name": "BUILD_SHARED_LIBS", + "value": "True", + "type": "BOOL" + }, + { + "name": "BUILD_TOOLS", + "value": "True", + "type": "BOOL" + }, + { + "name": "LAMMPS_EXCEPTIONS", + "value": "True", + "type": "BOOL" + }, + { + "name": "ENABLE_TESTING", + "value": "False", + "type": "BOOL" + }, + { + "name": "BUILD_MPI", + "value": "False", + "type": "BOOL" + }, + { + "name": "WITH_PNG", + "value": "False", + "type": "BOOL" + }, + { + "name": "BUILD_LAMMPS_GUI", + "value": "True", + "type": "BOOL" + } + ] } ] } \ No newline at end of file diff --git a/cmake/Modules/CodingStandard.cmake b/cmake/Modules/CodingStandard.cmake index 4efd373d22..94639c7771 100644 --- a/cmake/Modules/CodingStandard.cmake +++ b/cmake/Modules/CodingStandard.cmake @@ -1,19 +1,11 @@ -if(CMAKE_VERSION VERSION_LESS 3.12) - find_package(PythonInterp 3.5 QUIET) # Deprecated since version 3.12 - if(PYTHONINTERP_FOUND) - set(Python3_EXECUTABLE ${PYTHON_EXECUTABLE}) - set(Python3_VERSION ${PYTHON_VERSION_STRING}) - endif() -else() - # use default (or custom) Python executable, if version is sufficient - if(Python_VERSION VERSION_GREATER_EQUAL 3.5) - set(Python3_EXECUTABLE ${Python_EXECUTABLE}) - endif() - find_package(Python3 COMPONENTS Interpreter QUIET) +# use default (or custom) Python executable, if version is sufficient +if(Python_VERSION VERSION_GREATER_EQUAL 3.6) + set(Python3_EXECUTABLE ${Python_EXECUTABLE}) endif() +find_package(Python3 COMPONENTS Interpreter) if(Python3_EXECUTABLE) - if(Python3_VERSION VERSION_GREATER_EQUAL 3.5) + if(Python3_VERSION VERSION_GREATER_EQUAL 3.6) add_custom_target( check-whitespace ${Python3_EXECUTABLE} ${LAMMPS_TOOLS_DIR}/coding_standard/whitespace.py . diff --git a/cmake/Modules/Documentation.cmake b/cmake/Modules/Documentation.cmake index 0b01407cd9..400109067f 100644 --- a/cmake/Modules/Documentation.cmake +++ b/cmake/Modules/Documentation.cmake @@ -5,24 +5,18 @@ option(BUILD_DOC "Build LAMMPS HTML documentation" OFF) if(BUILD_DOC) # Current Sphinx versions require at least Python 3.8 - if(CMAKE_VERSION VERSION_LESS 3.12) - find_package(PythonInterp 3.8 REQUIRED) - set(VIRTUALENV ${PYTHON_EXECUTABLE} -m venv) - else() - # use default (or custom) Python executable, if version is sufficient - if(Python_VERSION VERSION_GREATER_EQUAL 3.8) - set(Python3_EXECUTABLE ${Python_EXECUTABLE}) - endif() - find_package(Python3 REQUIRED COMPONENTS Interpreter) - if(Python3_VERSION VERSION_LESS 3.8) - message(FATAL_ERROR "Python 3.8 and up is required to build the HTML documentation") - endif() - set(VIRTUALENV ${Python3_EXECUTABLE} -m venv) + # use default (or custom) Python executable, if version is sufficient + if(Python_VERSION VERSION_GREATER_EQUAL 3.8) + set(Python3_EXECUTABLE ${Python_EXECUTABLE}) endif() + find_package(Python3 REQUIRED COMPONENTS Interpreter) + if(Python3_VERSION VERSION_LESS 3.8) + message(FATAL_ERROR "Python 3.8 and up is required to build the HTML documentation") + endif() + set(VIRTUALENV ${Python3_EXECUTABLE} -m venv) + find_package(Doxygen 1.8.10 REQUIRED) - - file(GLOB DOC_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_DOC_DIR}/src/[^.]*.rst) - + file(GLOB DOC_SOURCES CONFIGURE_DEPENDS ${LAMMPS_DOC_DIR}/src/[^.]*.rst) add_custom_command( OUTPUT docenv @@ -80,7 +74,7 @@ if(BUILD_DOC) message(STATUS "Using already downloaded archive ${CMAKE_BINARY_DIR}/libpace.tar.gz") endif() execute_process(COMMAND ${CMAKE_COMMAND} -E tar xzf mathjax.tar.gz WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) - file(GLOB MATHJAX_VERSION_DIR ${CONFIGURE_DEPENDS} ${CMAKE_CURRENT_BINARY_DIR}/MathJax-*) + file(GLOB MATHJAX_VERSION_DIR CONFIGURE_DEPENDS ${CMAKE_CURRENT_BINARY_DIR}/MathJax-*) execute_process(COMMAND ${CMAKE_COMMAND} -E rename ${MATHJAX_VERSION_DIR} ${DOC_BUILD_STATIC_DIR}/mathjax) endif() diff --git a/cmake/Modules/FindClangFormat.cmake b/cmake/Modules/FindClangFormat.cmake index 80c3b0d0ae..3f0257f34f 100644 --- a/cmake/Modules/FindClangFormat.cmake +++ b/cmake/Modules/FindClangFormat.cmake @@ -1,5 +1,7 @@ # Find clang-format find_program(ClangFormat_EXECUTABLE NAMES clang-format + clang-format-17.0 + clang-format-16.0 clang-format-15.0 clang-format-14.0 clang-format-13.0 @@ -19,7 +21,7 @@ if(ClangFormat_EXECUTABLE) OUTPUT_VARIABLE clang_format_version ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE) - if(clang_format_version MATCHES "^(Ubuntu |)clang-format version .*") + if(clang_format_version MATCHES "^(Ubuntu |Debian |)clang-format version .*") # Arch Linux output: # clang-format version 10.0.0 # @@ -32,9 +34,15 @@ if(ClangFormat_EXECUTABLE) # Ubuntu 22.04 LTS output: # Ubuntu clang-format version 14.0.0-1ubuntu1 # + # Debian 11 output: + # Debian clang-format version 11.0.1-2 + # + # Debian 12 output: + # Debian clang-format version 14.0.6 + # # Fedora 36 output: # clang-format version 14.0.5 (Fedora 14.0.5-1.fc36) - string(REGEX REPLACE "^(Ubuntu |)clang-format version ([0-9.]+).*" + string(REGEX REPLACE "^(Ubuntu |Debian |)clang-format version ([0-9.]+).*" "\\2" ClangFormat_VERSION "${clang_format_version}") diff --git a/cmake/Modules/FindCythonize.cmake b/cmake/Modules/FindCythonize.cmake index 97f0304279..fe436aef28 100644 --- a/cmake/Modules/FindCythonize.cmake +++ b/cmake/Modules/FindCythonize.cmake @@ -7,15 +7,7 @@ # adapted from https://github.com/cmarshall108/cython-cmake-example/blob/master/cmake/FindCython.cmake #============================================================================= -if(CMAKE_VERSION VERSION_LESS 3.12) - set(Python_ADDITIONAL_VERSIONS 3.12 3.11 3.10 3.9 3.8 3.7 3.6) - find_package(PythonInterp 3.6 QUIET) # Deprecated since version 3.12 - if(PYTHONINTERP_FOUND) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() -else() - find_package(Python 3.6 COMPONENTS Interpreter QUIET) -endif() +find_package(Python 3.6 COMPONENTS Interpreter QUIET) # Use the Cython executable that lives next to the Python executable # if it is a local installation. diff --git a/cmake/Modules/LAMMPSInterfacePlugin.cmake b/cmake/Modules/LAMMPSInterfacePlugin.cmake index c1cc613496..151e0a04f7 100644 --- a/cmake/Modules/LAMMPSInterfacePlugin.cmake +++ b/cmake/Modules/LAMMPSInterfacePlugin.cmake @@ -28,9 +28,8 @@ if(MSVC) add_compile_options(/Zc:__cplusplus) add_compile_options(/wd4244) add_compile_options(/wd4267) - if(LAMMPS_EXCEPTIONS) - add_compile_options(/EHsc) - endif() + add_compile_options(/wd4250) + add_compile_options(/EHsc) endif() add_compile_definitions(_CRT_SECURE_NO_WARNINGS) endif() @@ -65,7 +64,7 @@ endfunction(validate_option) # helper function for getting the most recently modified file or folder from a glob pattern function(get_newest_file path variable) - file(GLOB _dirs ${CONFIGURE_DEPENDS} ${path}) + file(GLOB _dirs CONFIGURE_DEPENDS ${path}) set(_besttime 2000-01-01T00:00:00) set(_bestfile "") foreach(_dir ${_dirs}) diff --git a/cmake/Modules/LAMMPSUtils.cmake b/cmake/Modules/LAMMPSUtils.cmake index 1ceec7e06e..bb5ea07609 100644 --- a/cmake/Modules/LAMMPSUtils.cmake +++ b/cmake/Modules/LAMMPSUtils.cmake @@ -41,7 +41,7 @@ endfunction() # helper function for getting the most recently modified file or folder from a glob pattern function(get_newest_file path variable) - file(GLOB _dirs ${CONFIGURE_DEPENDS} ${path}) + file(GLOB _dirs CONFIGURE_DEPENDS ${path}) set(_besttime 2000-01-01T00:00:00) set(_bestfile "") foreach(_dir ${_dirs}) @@ -80,8 +80,8 @@ endfunction() function(check_for_autogen_files source_dir) message(STATUS "Running check for auto-generated files from make-based build system") - file(GLOB SRC_AUTOGEN_FILES ${CONFIGURE_DEPENDS} ${source_dir}/style_*.h) - file(GLOB SRC_AUTOGEN_PACKAGES ${CONFIGURE_DEPENDS} ${source_dir}/packages_*.h) + file(GLOB SRC_AUTOGEN_FILES CONFIGURE_DEPENDS ${source_dir}/style_*.h) + file(GLOB SRC_AUTOGEN_PACKAGES CONFIGURE_DEPENDS ${source_dir}/packages_*.h) list(APPEND SRC_AUTOGEN_FILES ${SRC_AUTOGEN_PACKAGES} ${source_dir}/lmpinstalledpkgs.h ${source_dir}/lmpgitversion.h) list(APPEND SRC_AUTOGEN_FILES ${SRC_AUTOGEN_PACKAGES} ${source_dir}/mliap_model_python_couple.h ${source_dir}/mliap_model_python_couple.cpp) foreach(_SRC ${SRC_AUTOGEN_FILES}) diff --git a/cmake/Modules/Packages/COLVARS.cmake b/cmake/Modules/Packages/COLVARS.cmake index 325e0e205e..745c1de026 100644 --- a/cmake/Modules/Packages/COLVARS.cmake +++ b/cmake/Modules/Packages/COLVARS.cmake @@ -1,6 +1,6 @@ set(COLVARS_SOURCE_DIR ${LAMMPS_LIB_SOURCE_DIR}/colvars) -file(GLOB COLVARS_SOURCES ${CONFIGURE_DEPENDS} ${COLVARS_SOURCE_DIR}/[^.]*.cpp) +file(GLOB COLVARS_SOURCES CONFIGURE_DEPENDS ${COLVARS_SOURCE_DIR}/[^.]*.cpp) option(COLVARS_DEBUG "Enable debugging messages for Colvars (quite verbose)" OFF) diff --git a/cmake/Modules/Packages/GPU.cmake b/cmake/Modules/Packages/GPU.cmake index 4a70eb7a1e..47be8b8538 100644 --- a/cmake/Modules/Packages/GPU.cmake +++ b/cmake/Modules/Packages/GPU.cmake @@ -39,7 +39,7 @@ if (PKG_AMOEBA) ${GPU_SOURCES_DIR}/amoeba_convolution_gpu.cpp) endif() -file(GLOB GPU_LIB_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cpp) +file(GLOB GPU_LIB_SOURCES CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cpp) file(MAKE_DIRECTORY ${LAMMPS_LIB_BINARY_DIR}/gpu) if(GPU_API STREQUAL "CUDA") @@ -64,11 +64,13 @@ if(GPU_API STREQUAL "CUDA") endif() set(GPU_CUDA_MPS_FLAGS "-DCUDA_MPS_SUPPORT") endif() + option(CUDA_BUILD_MULTIARCH "Enable building CUDA kernels for all supported GPU architectures" ON) + mark_as_advanced(GPU_BUILD_MULTIARCH) set(GPU_ARCH "sm_50" CACHE STRING "LAMMPS GPU CUDA SM primary architecture (e.g. sm_60)") # ensure that no *cubin.h files exist from a compile in the lib/gpu folder - file(GLOB GPU_LIB_OLD_CUBIN_HEADERS ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/*_cubin.h) + file(GLOB GPU_LIB_OLD_CUBIN_HEADERS CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/*_cubin.h) if(GPU_LIB_OLD_CUBIN_HEADERS) message(FATAL_ERROR "########################################################################\n" "Found file(s) generated by the make-based build system in lib/gpu\n" @@ -78,71 +80,73 @@ if(GPU_API STREQUAL "CUDA") "########################################################################") endif() - file(GLOB GPU_LIB_CU ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu) + file(GLOB GPU_LIB_CU CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu) list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu) cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu ${LAMMPS_LIB_BINARY_DIR}/gpu) if(CUDPP_OPT) cuda_include_directories(${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini) - file(GLOB GPU_LIB_CUDPP_SOURCES ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cpp) - file(GLOB GPU_LIB_CUDPP_CU ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cu) + file(GLOB GPU_LIB_CUDPP_SOURCES CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cpp) + file(GLOB GPU_LIB_CUDPP_CU CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/cudpp_mini/[^.]*.cu) endif() # build arch/gencode commands for nvcc based on CUDA toolkit version and use choice # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture set(GPU_CUDA_GENCODE "-arch=${GPU_ARCH}") - # apply the following to build "fat" CUDA binaries only for known CUDA toolkits since version 8.0 - # only the Kepler achitecture and beyond is supported - # comparison chart according to: https://en.wikipedia.org/wiki/CUDA#GPUs_supported - if(CUDA_VERSION VERSION_LESS 8.0) - message(FATAL_ERROR "CUDA Toolkit version 8.0 or later is required") - elseif(CUDA_VERSION VERSION_GREATER_EQUAL "13.0") - message(WARNING "Untested CUDA Toolkit version ${CUDA_VERSION}. Use at your own risk") - set(GPU_CUDA_GENCODE "-arch=all") - elseif(CUDA_VERSION VERSION_GREATER_EQUAL "12.0") - set(GPU_CUDA_GENCODE "-arch=all") - else() - # Kepler (GPU Arch 3.0) is supported by CUDA 5 to CUDA 10.2 - if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "11.0")) - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_30,code=[sm_30,compute_30] ") - endif() - # Kepler (GPU Arch 3.5) is supported by CUDA 5 to CUDA 11 - if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "12.0")) - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_35,code=[sm_35,compute_35]") - endif() - # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "6.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52]") - endif() - # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "8.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61]") - endif() - # Volta (GPU Arch 7.0) is supported by CUDA 9 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "9.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_70,code=[sm_70,compute_70]") - endif() - # Turing (GPU Arch 7.5) is supported by CUDA 10 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "10.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_75,code=[sm_75,compute_75]") - endif() - # Ampere (GPU Arch 8.0) is supported by CUDA 11 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "11.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_80,code=[sm_80,compute_80]") - endif() - # Ampere (GPU Arch 8.6) is supported by CUDA 11.1 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "11.1") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_86,code=[sm_86,compute_86]") - endif() - # Lovelace (GPU Arch 8.9) is supported by CUDA 11.8 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "11.8") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_90,code=[sm_90,compute_90]") - endif() - # Hopper (GPU Arch 9.0) is supported by CUDA 12.0 and later - if(CUDA_VERSION VERSION_GREATER_EQUAL "12.0") - string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_90,code=[sm_90,compute_90]") + if(CUDA_BUILD_MULTIARCH) + # apply the following to build "fat" CUDA binaries only for known CUDA toolkits since version 8.0 + # only the Kepler achitecture and beyond is supported + # comparison chart according to: https://en.wikipedia.org/wiki/CUDA#GPUs_supported + if(CUDA_VERSION VERSION_LESS 8.0) + message(FATAL_ERROR "CUDA Toolkit version 8.0 or later is required") + elseif(CUDA_VERSION VERSION_GREATER_EQUAL "13.0") + message(WARNING "Untested CUDA Toolkit version ${CUDA_VERSION}. Use at your own risk") + set(GPU_CUDA_GENCODE "-arch=all") + elseif(CUDA_VERSION VERSION_GREATER_EQUAL "12.0") + set(GPU_CUDA_GENCODE "-arch=all") + else() + # Kepler (GPU Arch 3.0) is supported by CUDA 5 to CUDA 10.2 + if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "11.0")) + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_30,code=[sm_30,compute_30] ") + endif() + # Kepler (GPU Arch 3.5) is supported by CUDA 5 to CUDA 11 + if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "12.0")) + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_35,code=[sm_35,compute_35]") + endif() + # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "6.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52]") + endif() + # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "8.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61]") + endif() + # Volta (GPU Arch 7.0) is supported by CUDA 9 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "9.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_70,code=[sm_70,compute_70]") + endif() + # Turing (GPU Arch 7.5) is supported by CUDA 10 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "10.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_75,code=[sm_75,compute_75]") + endif() + # Ampere (GPU Arch 8.0) is supported by CUDA 11 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "11.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_80,code=[sm_80,compute_80]") + endif() + # Ampere (GPU Arch 8.6) is supported by CUDA 11.1 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "11.1") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_86,code=[sm_86,compute_86]") + endif() + # Lovelace (GPU Arch 8.9) is supported by CUDA 11.8 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "11.8") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_90,code=[sm_90,compute_90]") + endif() + # Hopper (GPU Arch 9.0) is supported by CUDA 12.0 and later + if(CUDA_VERSION VERSION_GREATER_EQUAL "12.0") + string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_90,code=[sm_90,compute_90]") + endif() endif() endif() @@ -201,7 +205,7 @@ elseif(GPU_API STREQUAL "OPENCL") include(OpenCLUtils) set(OCL_COMMON_HEADERS ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_preprocessor.h ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_aux_fun1.h) - file(GLOB GPU_LIB_CU ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu) + file(GLOB GPU_LIB_CU CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu) list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne.cu ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_gayberne_lj.cu @@ -331,7 +335,7 @@ elseif(GPU_API STREQUAL "HIP") endif() endif() - file(GLOB GPU_LIB_CU ${CONFIGURE_DEPENDS} ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu) + file(GLOB GPU_LIB_CU CONFIGURE_DEPENDS ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu) list(REMOVE_ITEM GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/lal_pppm.cu) set(GPU_LIB_CU_HIP "") diff --git a/cmake/Modules/Packages/KIM.cmake b/cmake/Modules/Packages/KIM.cmake index 995d2d9490..d724ec18fc 100644 --- a/cmake/Modules/Packages/KIM.cmake +++ b/cmake/Modules/Packages/KIM.cmake @@ -1,12 +1,7 @@ set(KIM-API_MIN_VERSION 2.1.3) find_package(CURL) if(CURL_FOUND) - if(CMAKE_VERSION VERSION_LESS 3.12) - target_include_directories(lammps PRIVATE ${CURL_INCLUDE_DIRS}) - target_link_libraries(lammps PRIVATE ${CURL_LIBRARIES}) - else() - target_link_libraries(lammps PRIVATE CURL::libcurl) - endif() + target_link_libraries(lammps PRIVATE CURL::libcurl) target_compile_definitions(lammps PRIVATE -DLMP_KIM_CURL) set(LMP_DEBUG_CURL OFF CACHE STRING "Set libcurl verbose mode on/off. If on, it displays a lot of verbose information about its operations.") mark_as_advanced(LMP_DEBUG_CURL) diff --git a/cmake/Modules/Packages/KOKKOS.cmake b/cmake/Modules/Packages/KOKKOS.cmake index 795b087bcb..6359d9e615 100644 --- a/cmake/Modules/Packages/KOKKOS.cmake +++ b/cmake/Modules/Packages/KOKKOS.cmake @@ -1,7 +1,8 @@ ######################################################################## -# As of version 3.3.0 Kokkos requires C++14 -if(CMAKE_CXX_STANDARD LESS 14) - message(FATAL_ERROR "The KOKKOS package requires the C++ standard to be set to at least C++14") +# As of version 4.0.0 Kokkos requires C++17 +if(CMAKE_CXX_STANDARD LESS 17) + message(FATAL_ERROR "The KOKKOS package requires the C++ standard to +be set to at least C++17") endif() ######################################################################## @@ -49,8 +50,8 @@ if(DOWNLOAD_KOKKOS) list(APPEND KOKKOS_LIB_BUILD_ARGS "-DCMAKE_CXX_EXTENSIONS=${CMAKE_CXX_EXTENSIONS}") list(APPEND KOKKOS_LIB_BUILD_ARGS "-DCMAKE_TOOLCHAIN_FILE=${CMAKE_TOOLCHAIN_FILE}") include(ExternalProject) - set(KOKKOS_URL "https://github.com/kokkos/kokkos/archive/3.7.02.tar.gz" CACHE STRING "URL for KOKKOS tarball") - set(KOKKOS_MD5 "34d7860d548c06a4040236d959c9f99a" CACHE STRING "MD5 checksum of KOKKOS tarball") + set(KOKKOS_URL "https://github.com/kokkos/kokkos/archive/4.1.00.tar.gz" CACHE STRING "URL for KOKKOS tarball") + set(KOKKOS_MD5 "a5f096bd8ad01b97fdc7a32583b17a33" CACHE STRING "MD5 checksum of KOKKOS tarball") mark_as_advanced(KOKKOS_URL) mark_as_advanced(KOKKOS_MD5) GetFallbackURL(KOKKOS_URL KOKKOS_FALLBACK) @@ -75,7 +76,7 @@ if(DOWNLOAD_KOKKOS) add_dependencies(LAMMPS::KOKKOSCORE kokkos_build) add_dependencies(LAMMPS::KOKKOSCONTAINERS kokkos_build) elseif(EXTERNAL_KOKKOS) - find_package(Kokkos 3.7.02 REQUIRED CONFIG) + find_package(Kokkos 4.1.00 REQUIRED CONFIG) target_link_libraries(lammps PRIVATE Kokkos::kokkos) else() set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos) @@ -155,7 +156,7 @@ if(PKG_ML-IAP) # Add KOKKOS version of ML-IAP Python coupling if non-KOKKOS version is included if(MLIAP_ENABLE_PYTHON AND Cythonize_EXECUTABLE) - file(GLOB MLIAP_KOKKOS_CYTHON_SRC ${CONFIGURE_DEPENDS} ${LAMMPS_SOURCE_DIR}/KOKKOS/*.pyx) + file(GLOB MLIAP_KOKKOS_CYTHON_SRC CONFIGURE_DEPENDS ${LAMMPS_SOURCE_DIR}/KOKKOS/*.pyx) foreach(MLIAP_CYTHON_FILE ${MLIAP_KOKKOS_CYTHON_SRC}) get_filename_component(MLIAP_CYTHON_BASE ${MLIAP_CYTHON_FILE} NAME_WE) add_custom_command(OUTPUT ${MLIAP_BINARY_DIR}/${MLIAP_CYTHON_BASE}.cpp ${MLIAP_BINARY_DIR}/${MLIAP_CYTHON_BASE}.h diff --git a/cmake/Modules/Packages/LEPTON.cmake b/cmake/Modules/Packages/LEPTON.cmake index 33e14d092c..b1944c2400 100644 --- a/cmake/Modules/Packages/LEPTON.cmake +++ b/cmake/Modules/Packages/LEPTON.cmake @@ -4,7 +4,7 @@ if(LEPTON_SOURCE_DIR) endif() set(LEPTON_SOURCE_DIR ${LAMMPS_LIB_SOURCE_DIR}/lepton) -file(GLOB LEPTON_SOURCES ${CONFIGURE_DEPENDS} ${LEPTON_SOURCE_DIR}/src/[^.]*.cpp) +file(GLOB LEPTON_SOURCES CONFIGURE_DEPENDS ${LEPTON_SOURCE_DIR}/src/[^.]*.cpp) if((CMAKE_HOST_SYSTEM_PROCESSOR STREQUAL "amd64") OR (CMAKE_HOST_SYSTEM_PROCESSOR STREQUAL "AMD64") OR @@ -15,7 +15,7 @@ else() endif() if(LEPTON_ENABLE_JIT) - file(GLOB ASMJIT_SOURCES ${CONFIGURE_DEPENDS} ${LEPTON_SOURCE_DIR}/asmjit/*/[^.]*.cpp) + file(GLOB ASMJIT_SOURCES CONFIGURE_DEPENDS ${LEPTON_SOURCE_DIR}/asmjit/*/[^.]*.cpp) endif() add_library(lepton STATIC ${LEPTON_SOURCES} ${ASMJIT_SOURCES}) diff --git a/cmake/Modules/Packages/MDI.cmake b/cmake/Modules/Packages/MDI.cmake index dc3af94a0a..447b941d99 100644 --- a/cmake/Modules/Packages/MDI.cmake +++ b/cmake/Modules/Packages/MDI.cmake @@ -26,29 +26,9 @@ if(DOWNLOAD_MDI) # detect if we have python development support and thus can enable python plugins set(MDI_USE_PYTHON_PLUGINS OFF) - if(CMAKE_VERSION VERSION_LESS 3.12) - if(NOT PYTHON_VERSION_STRING) - set(Python_ADDITIONAL_VERSIONS 3.12 3.11 3.10 3.9 3.8 3.7 3.6) - # search for interpreter first, so we have a consistent library - find_package(PythonInterp) # Deprecated since version 3.12 - if(PYTHONINTERP_FOUND) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() - endif() - # search for the library matching the selected interpreter - set(Python_ADDITIONAL_VERSIONS ${PYTHON_VERSION_MAJOR}.${PYTHON_VERSION_MINOR}) - find_package(PythonLibs QUIET) # Deprecated since version 3.12 - if(PYTHONLIBS_FOUND) - if(NOT (PYTHON_VERSION_STRING STREQUAL PYTHONLIBS_VERSION_STRING)) - message(FATAL_ERROR "Python Library version ${PYTHONLIBS_VERSION_STRING} does not match Interpreter version ${PYTHON_VERSION_STRING}") - endif() - set(MDI_USE_PYTHON_PLUGINS ON) - endif() - else() - find_package(Python QUIET COMPONENTS Development) - if(Python_Development_FOUND) - set(MDI_USE_PYTHON_PLUGINS ON) - endif() + find_package(Python QUIET COMPONENTS Development) + if(Python_Development_FOUND) + set(MDI_USE_PYTHON_PLUGINS ON) endif() # python plugins are not supported and thus must be always off on Windows if(CMAKE_SYSTEM_NAME STREQUAL "Windows") @@ -102,13 +82,9 @@ if(DOWNLOAD_MDI) # if compiling with python plugins we need # to add python libraries as dependency. if(MDI_USE_PYTHON_PLUGINS) - if(CMAKE_VERSION VERSION_LESS 3.12) - list(APPEND MDI_DEP_LIBS ${PYTHON_LIBRARIES}) - else() - list(APPEND MDI_DEP_LIBS Python::Python) - endif() - + list(APPEND MDI_DEP_LIBS Python::Python) endif() + # need to add support for dlopen/dlsym, except when compiling for Windows. if(NOT (CMAKE_SYSTEM_NAME STREQUAL "Windows")) list(APPEND MDI_DEP_LIBS "${CMAKE_DL_LIBS}") diff --git a/cmake/Modules/Packages/ML-IAP.cmake b/cmake/Modules/Packages/ML-IAP.cmake index f8439be538..d6059c44b8 100644 --- a/cmake/Modules/Packages/ML-IAP.cmake +++ b/cmake/Modules/Packages/ML-IAP.cmake @@ -2,12 +2,7 @@ set(MLIAP_ENABLE_PYTHON_DEFAULT OFF) if(PKG_PYTHON) find_package(Cythonize QUIET) - if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.14) - find_package(Python COMPONENTS NumPy QUIET) - else() - # assume we have NumPy - set(Python_NumPy_FOUND ON) - endif() + find_package(Python COMPONENTS NumPy QUIET) if(Cythonize_FOUND AND Python_NumPy_FOUND) set(MLIAP_ENABLE_PYTHON_DEFAULT ON) endif() @@ -17,24 +12,16 @@ option(MLIAP_ENABLE_PYTHON "Build ML-IAP package with Python support" ${MLIAP_EN if(MLIAP_ENABLE_PYTHON) find_package(Cythonize REQUIRED) - if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.14) - find_package(Python COMPONENTS NumPy REQUIRED) - endif() + find_package(Python COMPONENTS NumPy REQUIRED) if(NOT PKG_PYTHON) message(FATAL_ERROR "Must enable PYTHON package for including Python support in ML-IAP") endif() - if(CMAKE_VERSION VERSION_LESS 3.12) - if(PYTHONLIBS_VERSION_STRING VERSION_LESS 3.6) - message(FATAL_ERROR "Python support in ML-IAP requires Python 3.6 or later") - endif() - else() - if(Python_VERSION VERSION_LESS 3.6) - message(FATAL_ERROR "Python support in ML-IAP requires Python 3.6 or later") - endif() + if(Python_VERSION VERSION_LESS 3.6) + message(FATAL_ERROR "Python support in ML-IAP requires Python 3.6 or later") endif() set(MLIAP_BINARY_DIR ${CMAKE_BINARY_DIR}/cython) - file(GLOB MLIAP_CYTHON_SRC ${CONFIGURE_DEPENDS} ${LAMMPS_SOURCE_DIR}/ML-IAP/*.pyx) + file(GLOB MLIAP_CYTHON_SRC CONFIGURE_DEPENDS ${LAMMPS_SOURCE_DIR}/ML-IAP/*.pyx) file(MAKE_DIRECTORY ${MLIAP_BINARY_DIR}) foreach(MLIAP_CYTHON_FILE ${MLIAP_CYTHON_SRC}) get_filename_component(MLIAP_CYTHON_BASE ${MLIAP_CYTHON_FILE} NAME_WE) diff --git a/cmake/Modules/Packages/MSCG.cmake b/cmake/Modules/Packages/MSCG.cmake deleted file mode 100644 index 2b8e8eda06..0000000000 --- a/cmake/Modules/Packages/MSCG.cmake +++ /dev/null @@ -1,28 +0,0 @@ -find_package(GSL REQUIRED) -find_package(MSCG QUIET) -if(MSGC_FOUND) - set(DOWNLOAD_MSCG_DEFAULT OFF) -else() - set(DOWNLOAD_MSCG_DEFAULT ON) -endif() -option(DOWNLOAD_MSCG "Download MSCG library instead of using an already installed one)" ${DOWNLOAD_MSCG_DEFAULT}) -if(DOWNLOAD_MSCG) - set(MSCG_URL "https://github.com/uchicago-voth/MSCG-release/archive/491270a73539e3f6951e76f7dbe84e258b3ebb45.tar.gz" CACHE STRING "URL for MSCG tarball") - set(MSCG_MD5 "7ea50748fba5c3a372e0266bd31d2f11" CACHE STRING "MD5 checksum of MSCG tarball") - mark_as_advanced(MSCG_URL) - mark_as_advanced(MSCG_MD5) - - include(ExternalCMakeProject) - ExternalCMakeProject(mscg ${MSCG_URL} ${MSCG_MD5} MSCG-release src/CMake "") - - # set include and link library - target_include_directories(lammps PRIVATE "${CMAKE_BINARY_DIR}/_deps/mscg-src/src") - target_link_libraries(lammps PRIVATE mscg) -else() - find_package(MSCG) - if(NOT MSCG_FOUND) - message(FATAL_ERROR "MSCG not found, help CMake to find it by setting MSCG_LIBRARY and MSCG_INCLUDE_DIR, or set DOWNLOAD_MSCG=ON to download it") - endif() - target_link_libraries(lammps PRIVATE MSCG::MSCG) -endif() -target_link_libraries(lammps PRIVATE GSL::gsl ${LAPACK_LIBRARIES}) diff --git a/cmake/Modules/Packages/PYTHON.cmake b/cmake/Modules/Packages/PYTHON.cmake index 4a2925fe31..59260e39d5 100644 --- a/cmake/Modules/Packages/PYTHON.cmake +++ b/cmake/Modules/Packages/PYTHON.cmake @@ -1,29 +1,11 @@ -if(CMAKE_VERSION VERSION_LESS 3.12) - if(NOT PYTHON_VERSION_STRING) - set(Python_ADDITIONAL_VERSIONS 3.12 3.11 3.10 3.9 3.8 3.7 3.6) - # search for interpreter first, so we have a consistent library - find_package(PythonInterp) # Deprecated since version 3.12 - if(PYTHONINTERP_FOUND) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() + +if(NOT Python_INTERPRETER) + # backward compatibility + if(PYTHON_EXECUTABLE) + set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) endif() - # search for the library matching the selected interpreter - set(Python_ADDITIONAL_VERSIONS ${PYTHON_VERSION_MAJOR}.${PYTHON_VERSION_MINOR}) - find_package(PythonLibs REQUIRED) # Deprecated since version 3.12 - if(NOT (PYTHON_VERSION_STRING STREQUAL PYTHONLIBS_VERSION_STRING)) - message(FATAL_ERROR "Python Library version ${PYTHONLIBS_VERSION_STRING} does not match Interpreter version ${PYTHON_VERSION_STRING}") - endif() - target_include_directories(lammps PRIVATE ${PYTHON_INCLUDE_DIRS}) - target_link_libraries(lammps PRIVATE ${PYTHON_LIBRARIES}) -else() - if(NOT Python_INTERPRETER) - # backward compatibility - if(PYTHON_EXECUTABLE) - set(Python_EXECUTABLE ${PYTHON_EXECUTABLE}) - endif() - find_package(Python COMPONENTS Interpreter) - endif() - find_package(Python REQUIRED COMPONENTS Interpreter Development) - target_link_libraries(lammps PRIVATE Python::Python) + find_package(Python COMPONENTS Interpreter) endif() +find_package(Python REQUIRED COMPONENTS Interpreter Development) +target_link_libraries(lammps PRIVATE Python::Python) target_compile_definitions(lammps PRIVATE -DLMP_PYTHON) diff --git a/cmake/Modules/StyleHeaderUtils.cmake b/cmake/Modules/StyleHeaderUtils.cmake index 2a0a91e843..d4644bd042 100644 --- a/cmake/Modules/StyleHeaderUtils.cmake +++ b/cmake/Modules/StyleHeaderUtils.cmake @@ -1,5 +1,5 @@ function(FindStyleHeaders path style_class file_pattern headers) - file(GLOB files ${CONFIGURE_DEPENDS} "${path}/${file_pattern}*.h") + file(GLOB files CONFIGURE_DEPENDS "${path}/${file_pattern}*.h") get_property(hlist GLOBAL PROPERTY ${headers}) foreach(file_name ${files}) @@ -187,7 +187,7 @@ endfunction(DetectBuildSystemConflict) function(FindPackagesHeaders path style_class file_pattern headers) - file(GLOB files ${CONFIGURE_DEPENDS} "${path}/${file_pattern}*.h") + file(GLOB files CONFIGURE_DEPENDS "${path}/${file_pattern}*.h") get_property(plist GLOBAL PROPERTY ${headers}) foreach(file_name ${files}) diff --git a/cmake/Modules/Testing.cmake b/cmake/Modules/Testing.cmake index 5345211178..ff595d3c8f 100644 --- a/cmake/Modules/Testing.cmake +++ b/cmake/Modules/Testing.cmake @@ -6,7 +6,7 @@ if(ENABLE_TESTING) find_program(VALGRIND_BINARY NAMES valgrind) # generate custom suppression file file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/lammps.supp "\n") - file(GLOB VALGRIND_SUPPRESSION_FILES ${CONFIGURE_DEPENDS} ${LAMMPS_TOOLS_DIR}/valgrind/[^.]*.supp) + file(GLOB VALGRIND_SUPPRESSION_FILES CONFIGURE_DEPENDS ${LAMMPS_TOOLS_DIR}/valgrind/[^.]*.supp) foreach(SUPP ${VALGRIND_SUPPRESSION_FILES}) file(READ ${SUPP} SUPPRESSIONS) file(APPEND ${CMAKE_CURRENT_BINARY_DIR}/lammps.supp "${SUPPRESSIONS}") @@ -19,7 +19,7 @@ if(ENABLE_TESTING) # we need to build and link a LOT of tester executables, so it is worth checking if # a faster linker is available. requires GNU or Clang compiler, newer CMake. # also only verified with Fedora Linux > 30 and Ubuntu 18.04 or 22.04+(Ubuntu 20.04 fails) - if((CMAKE_SYSTEM_NAME STREQUAL "Linux") AND (CMAKE_VERSION VERSION_GREATER_EQUAL 3.13) + if((CMAKE_SYSTEM_NAME STREQUAL "Linux") AND ((CMAKE_CXX_COMPILER_ID STREQUAL "GNU") OR (CMAKE_CXX_COMPILER_ID STREQUAL "Clang"))) if(((CMAKE_LINUX_DISTRO STREQUAL "Ubuntu") AND ((CMAKE_DISTRO_VERSION VERSION_LESS_EQUAL 18.04) OR (CMAKE_DISTRO_VERSION VERSION_GREATER_EQUAL 22.04))) @@ -66,16 +66,8 @@ if(CMAKE_CXX_COMPILER_ID STREQUAL "GNU") option(ENABLE_COVERAGE "Enable collecting code coverage data" OFF) mark_as_advanced(ENABLE_COVERAGE) if(ENABLE_COVERAGE) - if(CMAKE_VERSION VERSION_LESS 3.13) - if(CMAKE_CXX_FLAGS) - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} --coverage") - else() - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} --coverage") - endif() - else() - target_compile_options(lammps PUBLIC --coverage) - target_link_options(lammps PUBLIC --coverage) - endif() + target_compile_options(lammps PUBLIC --coverage) + target_link_options(lammps PUBLIC --coverage) endif() endif() @@ -118,16 +110,8 @@ validate_option(ENABLE_SANITIZER ENABLE_SANITIZER_VALUES) string(TOLOWER ${ENABLE_SANITIZER} ENABLE_SANITIZER) if(NOT ENABLE_SANITIZER STREQUAL "none") if((${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") OR (${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang")) - if(CMAKE_VERSION VERSION_LESS 3.13) - if(CMAKE_CXX_FLAGS) - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=${ENABLE_SANITIZER}") - else() - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} -fsanitize=${ENABLE_SANITIZER}") - endif() - else() - target_compile_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) - target_link_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) - endif() + target_compile_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) + target_link_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) else() message(WARNING "ENABLE_SANITIZER option not supported by ${CMAKE_CXX_COMPILER_ID} compilers. Ignoring.") set(ENABLE_SANITIZER "none") diff --git a/cmake/Modules/Tools.cmake b/cmake/Modules/Tools.cmake index 285c5f2405..133301c3d4 100644 --- a/cmake/Modules/Tools.cmake +++ b/cmake/Modules/Tools.cmake @@ -26,7 +26,7 @@ if(BUILD_TOOLS) enable_language(C) get_filename_component(MSI2LMP_SOURCE_DIR ${LAMMPS_TOOLS_DIR}/msi2lmp/src ABSOLUTE) - file(GLOB MSI2LMP_SOURCES ${CONFIGURE_DEPENDS} ${MSI2LMP_SOURCE_DIR}/[^.]*.c) + file(GLOB MSI2LMP_SOURCES CONFIGURE_DEPENDS ${MSI2LMP_SOURCE_DIR}/[^.]*.c) add_executable(msi2lmp ${MSI2LMP_SOURCES}) if(STANDARD_MATH_LIB) target_link_libraries(msi2lmp PRIVATE ${STANDARD_MATH_LIB}) @@ -37,12 +37,13 @@ if(BUILD_TOOLS) add_subdirectory(${LAMMPS_TOOLS_DIR}/phonon ${CMAKE_BINARY_DIR}/phana_build) endif() +find_package(PkgConfig QUIET) if(BUILD_LAMMPS_SHELL) + if(NOT PkgConfig_FOUND) + message(FATAL_ERROR "Must have pkg-config installed for building LAMMPS shell") + endif() find_package(PkgConfig REQUIRED) pkg_check_modules(READLINE IMPORTED_TARGET REQUIRED readline) - if(NOT LAMMPS_EXCEPTIONS) - message(WARNING "The LAMMPS shell needs LAMMPS_EXCEPTIONS enabled for full functionality") - endif() # include resource compiler to embed icons into the executable on Windows if(CMAKE_SYSTEM_NAME STREQUAL "Windows") @@ -67,4 +68,8 @@ if(BUILD_LAMMPS_SHELL) install(FILES ${LAMMPS_TOOLS_DIR}/lammps-shell/lammps-shell.desktop DESTINATION ${CMAKE_INSTALL_DATAROOTDIR}/applications/) endif() - +if(BUILD_LAMMPS_GUI) + get_filename_component(LAMMPS_GUI_DIR ${LAMMPS_SOURCE_DIR}/../tools/lammps-gui ABSOLUTE) + get_filename_component(LAMMPS_GUI_BIN ${CMAKE_BINARY_DIR}/lammps-gui-build ABSOLUTE) + add_subdirectory(${LAMMPS_GUI_DIR} ${LAMMPS_GUI_BIN}) +endif() diff --git a/cmake/packaging/LAMMPS_DMG_Background.png b/cmake/packaging/LAMMPS_DMG_Background.png new file mode 100644 index 0000000000..5ceb55c5e7 Binary files /dev/null and b/cmake/packaging/LAMMPS_DMG_Background.png differ diff --git a/cmake/packaging/MacOSXBundleInfo.plist.in b/cmake/packaging/MacOSXBundleInfo.plist.in new file mode 100644 index 0000000000..33ce5a602b --- /dev/null +++ b/cmake/packaging/MacOSXBundleInfo.plist.in @@ -0,0 +1,34 @@ + + + + + CFBundleDevelopmentRegion + en-US + CFBundleExecutable + ${MACOSX_BUNDLE_EXECUTABLE_NAME} + CFBundleDisplayName + The LAMMPS Molecular Dynamics Software + CFBundleIconFile + lammps + CFBundleIdentifier + org.lammps.gui + CFBundleInfoDictionaryVersion + 6.0 + CFBundleLongVersionString + ${MACOSX_BUNDLE_LONG_VERSION_STRING} + CFBundleName + LAMMPS + CFBundlePackageType + APPL + CFBundleShortVersionString + ${MACOSX_BUNDLE_SHORT_VERSION_STRING} + CFBundleSignature + ???? + CFBundleVersion + ${MACOSX_BUNDLE_BUNDLE_VERSION} + CSResourcesFileMapped + + NSHumanReadableCopyright + ${MACOSX_BUNDLE_COPYRIGHT} + + diff --git a/cmake/packaging/README.macos b/cmake/packaging/README.macos new file mode 100644 index 0000000000..0325045983 --- /dev/null +++ b/cmake/packaging/README.macos @@ -0,0 +1,69 @@ +LAMMPS and LAMMPS GUI universal binaries for macOS (arm64/x86_64) +================================================================= + +This package provides universal binaries of LAMMPS and LAMMPS GUI that should +run on macOS systems running running macOS version 11 (Big Sur) or newer. Note +the binaries are compiled without MPI support and contain a compatible subset +of the available packages. + +The following individual commands are included: +binary2txt lammps-gui lmp msi2lmp phana stl_bin2txt + +After copying the lammps-gui folder into your Applications folder, please follow +these steps: + +1. Open the Terminal app + +2. Type the following command and press ENTER: + + open ~/.zprofile + + This will open a text editor for modifying the .zprofile file in your home + directory. + +3. Add the following lines to the end of the file, save it, and close the editor + + LAMMPS_INSTALL_DIR=/Applications/LAMMPS.app/Contents + LAMMPS_POTENTIALS=${LAMMPS_INSTALL_DIR}/share/lammps/potentials + LAMMPS_BENCH_DIR=${LAMMPS_INSTALL_DIR}/share/lammps/bench + MSI2LMP_LIBRARY=${LAMMPS_INSTALL_DIR}/share/lammps/frc_files + PATH=${LAMMPS_INSTALL_DIR}/bin:$PATH + export LAMMPS_POTENTIALS LAMMPS_BENCH_DIR PATH + +4. In your existing terminal, type the following command make the settings active + + source ~/.zprofile + + Note, you don't have to type this in new terminals, since they will apply + the changes from .zprofile automatically. + + Note: the above assumes you use the default shell (zsh) that comes with + MacOS. If you customized MacOS to use a different shell, you'll need to modify + that shell's init file (.cshrc, .bashrc, etc.) instead with appropiate commands + to modify the same environment variables. + +5. Try running LAMMPS (which might fail, see step 7) + + lmp -in ${LAMMPS_BENCH_DIR}/in.lj + +6. Try running the LAMMPS GUI + + lammps-gui ${LAMMPS_BENCH_DIR}/in.rhodo + + Depending on the size and resolution of your screen, the fonts may + be too small to read. This can be adjusted by setting the environment + variable QT_FONT_DPI. The default value would be 72, so to increase + the fonts by a third one can add to the .zprofile file the line + + export QT_FONT_DPI=96 + + and reload as shown above. + +7. Give permission to execute the commands (lmp, lammps-gui, msi2lmp, binary2txt, phana, stl_bin2txt) + + MacOS will likely block the initial run of the executables, since they + were downloaded from the internet and are missing a known signature from an + identified developer. Go to "Settings" and search for "Security settings". It + should display a message that an executable like "lmp" was blocked. Press + "Open anyway", which might prompt you for your admin credentials. Afterwards + "lmp" and the other executables should work as expected. diff --git a/cmake/packaging/build_linux_tgz.sh b/cmake/packaging/build_linux_tgz.sh new file mode 100755 index 0000000000..e0222858ce --- /dev/null +++ b/cmake/packaging/build_linux_tgz.sh @@ -0,0 +1,77 @@ +#!/bin/bash + +APP_NAME=lammps-gui +DESTDIR=${PWD}/../LAMMPS_GUI + +echo "Delete old files, if they exist" +rm -rf ${DESTDIR} ../LAMMPS-Linux-amd64.tar.gz + +echo "Create staging area for deployment and populate" +DESTDIR=${DESTDIR} cmake --install . --prefix "/" + +echo "Remove debug info" +for s in ${DESTDIR}/bin/* ${DESTDIR}/lib/liblammps* +do \ + test -f $s && strip --strip-debug $s +done + +echo "Remove libc, gcc, and X11 related shared libs" +rm -f ${DESTDIR}/lib/ld*.so ${DESTDIR}/lib/ld*.so.[0-9] +rm -f ${DESTDIR}/lib/lib{c,dl,rt,m,pthread}.so.? +rm -f ${DESTDIR}/lib/lib{c,dl,rt,m,pthread}-[0-9].[0-9]*.so +rm -f ${DESTDIR}/lib/libX* ${DESTDIR}/lib/libxcb* +rm -f ${DESTDIR}/lib/libgcc_s* +rm -f ${DESTDIR}/lib/libstdc++* + +# get qt dir +QTDIR=$(ldd ${DESTDIR}/bin/lammps-gui | grep libQt5Core | sed -e 's/^.*=> *//' -e 's/libQt5Core.so.*$/qt5/') +cat > ${DESTDIR}/bin/qt.conf < *//' -e 's/\(libQt5.*.so.*\) .*$/\1/') +for dep in ${QTDEPS} +do \ + cp ${dep} ${DESTDIR}/lib +done + +echo "Add additional plugins for Qt" +for dir in styles imageformats +do \ + cp -r ${QTDIR}/plugins/${dir} ${DESTDIR}/qt5plugins/ +done + +# get imageplugin dependencies +for s in ${DESTDIR}/qt5plugins/imageformats/*.so +do \ + QTDEPS=$(LD_LIBRARY_PATH=${DESTDIR}/lib ldd $s | grep -v ${DESTDIR} | grep -E '(libQt5|jpeg)' | sed -e 's/^.*=> *//' -e 's/\(lib.*.so.*\) .*$/\1/') + for dep in ${QTDEPS} + do \ + cp ${dep} ${DESTDIR}/lib + done +done + +echo "Set up wrapper script" +MYDIR=$(dirname "$0") +cp ${MYDIR}/linux_wrapper.sh ${DESTDIR}/bin +for s in ${DESTDIR}/bin/* +do \ + EXE=$(basename $s) + test ${EXE} = linux_wrapper.sh && continue + test ${EXE} = qt.conf && continue + ln -s bin/linux_wrapper.sh ${DESTDIR}/${EXE} +done + +pushd .. +tar -czvvf LAMMPS-Linux-amd64.tar.gz LAMMPS_GUI +popd + +echo "Cleanup dir" +rm -r ${DESTDIR} +exit 0 diff --git a/cmake/packaging/build_macos_dmg.sh b/cmake/packaging/build_macos_dmg.sh new file mode 100755 index 0000000000..5204e519c2 --- /dev/null +++ b/cmake/packaging/build_macos_dmg.sh @@ -0,0 +1,111 @@ +#!/bin/bash + +APP_NAME=lammps-gui + +echo "Delete old files, if they exist" +rm -f ${APP_NAME}.dmg ${APP_NAME}-rw.dmg LAMMPS-macOS-multiarch.dmg + +echo "Create initial dmg file with macdeployqt" +macdeployqt lammps-gui.app -dmg +echo "Create writable dmg file" +hdiutil convert ${APP_NAME}.dmg -format UDRW -o ${APP_NAME}-rw.dmg + +echo "Mount writeable DMG file in read-write mode. Keep track of device and volume names" +DEVICE=$(hdiutil attach -readwrite -noverify ${APP_NAME}-rw.dmg | grep '^/dev/' | sed 1q | awk '{print $1}') +VOLUME=$(df | grep ${DEVICE} | sed -e 's/^.*\(\/Volumes\/\)/\1/') +sleep 2 + +echo "Create link to Application folder and move README and background image files" + +pushd "${VOLUME}" +ln -s /Applications . +mv ${APP_NAME}.app/Contents/Resources/README.txt . +mkdir .background +mv ${APP_NAME}.app/Contents/Resources/LAMMPS_DMG_Background.png .background/background.png +mv ${APP_NAME}.app LAMMPS.app +cd LAMMPS.app/Contents + +echo "Attach icons to LAMMPS console and GUI executables" +echo "read 'icns' (-16455) \"Resources/lammps.icns\";" > icon.rsrc +Rez -a icon.rsrc -o bin/lmp +SetFile -a C bin/lmp +Rez -a icon.rsrc -o MacOS/lammps-gui +SetFile -a C MacOS/lammps-gui +rm icon.rsrc +popd + +echo 'Tell the Finder to resize the window, set the background,' +echo 'change the icon size, place the icons in the right position, etc.' +echo ' + tell application "Finder" + tell disk "'${APP_NAME}'" + + -- wait for the image to finish mounting + set open_attempts to 0 + repeat while open_attempts < 4 + try + open + delay 1 + set open_attempts to 5 + close + on error errStr number errorNumber + set open_attempts to open_attempts + 1 + delay 10 + end try + end repeat + delay 5 + + -- open the image the first time and save a .DS_Store + -- just the background and icon setup + open + set current view of container window to icon view + set theViewOptions to the icon view options of container window + set background picture of theViewOptions to file ".background:background.png" + set arrangement of theViewOptions to not arranged + set icon size of theViewOptions to 64 + delay 5 + close + + -- next set up the position of the app and Applications symlink + -- plus hide all window decorations + open + update without registering applications + tell container window + set sidebar width to 0 + set statusbar visible to false + set toolbar visible to false + set the bounds to { 100, 40, 868, 640 } + set position of item "'LAMMPS'.app" to { 190, 216 } + set position of item "Applications" to { 576, 216 } + set position of item "README.txt" to { 190, 400 } + end tell + update without registering applications + delay 5 + close + + -- one last open and close to check the results + open + delay 5 + close + end tell + delay 1 + end tell +' | osascript + +sync + +echo "Unmount modified disk image and convert to compressed read-only image" +hdiutil detach "${DEVICE}" +hdiutil convert "${APP_NAME}-rw.dmg" -format UDZO -o "LAMMPS-macOS-multiarch.dmg" + +echo "Attach icon to .dmg file" +echo "read 'icns' (-16455) \"lammps-gui.app/Contents/Resources/lammps.icns\";" > icon.rsrc +Rez -a icon.rsrc -o LAMMPS-macOS-multiarch.dmg +SetFile -a C LAMMPS-macOS-multiarch.dmg +rm icon.rsrc + +echo "Delete temporary disk images" +rm -f "${APP_NAME}-rw.dmg" +rm -f "${APP_NAME}.dmg" + +exit 0 diff --git a/cmake/packaging/build_windows_cross_zip.sh b/cmake/packaging/build_windows_cross_zip.sh new file mode 100755 index 0000000000..d02b9cf761 --- /dev/null +++ b/cmake/packaging/build_windows_cross_zip.sh @@ -0,0 +1,64 @@ +#!/bin/bash + +APP_NAME=lammps-gui +DESTDIR=${PWD}/LAMMPS_GUI +SYSROOT="$1" + +echo "Delete old files, if they exist" +rm -rvf ${DESTDIR}/LAMMPS_GUI ${DESTDIR}/LAMMPS-Win10-amd64.zip + +echo "Create staging area for deployment and populate" +DESTDIR=${DESTDIR} cmake --install . --prefix "/" + +# no static libs needed +rm -rvf ${DESTDIR}/lib +# but the LAMMPS lib + +echo "Copying required DLL files" +for dll in $(objdump -p *.exe *.dll | sed -n -e '/DLL Name:/s/^.*DLL Name: *//p' | sort | uniq) +do \ + doskip=0 + for skip in ADVAPI32 CFGMGR32 GDI32 KERNEL32 MPR NETAPI32 PSAPI SHELL32 USER32 USERENV UxTheme VERSION WS2_32 WSOCK32 d3d11 dwmapi liblammps msvcrt_ole32 + do \ + test ${dll} = ${skip}.dll && doskip=1 + done + test ${doskip} -eq 1 && continue + test -f ${DESTDIR}/bin/${dll} || cp -v ${SYSROOT}/bin/${dll} ${DESTDIR}/bin +done + +echo "Copy required Qt plugins" +mkdir -p ${DESTDIR}/qt5plugins +for plugin in imageformats platforms styles +do \ + cp -r ${SYSROOT}/lib/qt5/plugins/${plugin} ${DESTDIR}/qt5plugins/ +done + +echo "Check dependencies of DLL files" +for dll in $(objdump -p ${DESTDIR}/bin/*.dll ${DESTDIR}/qt5plugins/*/*.dll | sed -n -e '/DLL Name:/s/^.*DLL Name: *//p' | sort | uniq) +do \ + doskip=0 + for skip in ADVAPI32 CFGMGR32 GDI32 KERNEL32 MPR NETAPI32 PSAPI SHELL32 USER32 USERENV UxTheme VERSION WS2_32 WSOCK32 d3d11 dwmapi liblammps msvcrt_ole32 + do \ + test ${dll} = ${skip}.dll && doskip=1 + done + test ${doskip} -eq 1 && continue + test -f ${DESTDIR}/bin/${dll} || cp -v ${SYSROOT}/bin/${dll} ${DESTDIR}/bin +done + +for dll in $(objdump -p ${DESTDIR}/bin/*.dll ${DESTDIR}/qt5plugins/*/*.dll | sed -n -e '/DLL Name:/s/^.*DLL Name: *//p' | sort | uniq) +do \ + doskip=0 + for skip in ADVAPI32 CFGMGR32 GDI32 KERNEL32 MPR NETAPI32 PSAPI SHELL32 USER32 USERENV UxTheme VERSION WS2_32 WSOCK32 d3d11 dwmapi liblammps msvcrt_ole32 + do \ + test ${dll} = ${skip}.dll && doskip=1 + done + test ${doskip} -eq 1 && continue + test -f ${DESTDIR}/bin/${dll} || cp -v ${SYSROOT}/bin/${dll} ${DESTDIR}/bin +done + +cat > ${DESTDIR}/bin/qt.conf < " + exit 1 +fi + +png="$1" +ico="$2" + +if [ ! -f ${png} ] +then + echo "PNG Image $1 not found" +fi + +rm -rf ${ico}.iconset +mkdir ${ico}.iconset +sips -z 16 16 ${png} --out ${ico}.iconset/icon_16x16.png +sips -z 32 32 ${png} --out ${ico}.iconset/icon_16x16@2x.png +sips -z 32 32 ${png} --out ${ico}.iconset/icon_32x32.png +sips -z 64 64 ${png} --out ${ico}.iconset/icon_32x32@2x.png +sips -z 128 128 ${png} --out ${ico}.iconset/icon_128x128.png +sips -z 256 256 ${png} --out ${ico}.iconset/icon_128x128@2x.png +sips -z 256 256 ${png} --out ${ico}.iconset/icon_256x256.png +sips -z 512 512 ${png} --out ${ico}.iconset/icon_256x256@2x.png +sips -z 512 512 ${png} --out ${ico}.iconset/icon_512x512.png +sips -z 1024 1024 ${png} --out ${ico}.iconset/icon_512x512@2x.png +iconutil -c icns ${ico}.iconset +rm -rf ${ico}.iconset diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake index 2db615f533..e078879f70 100644 --- a/cmake/presets/all_off.cmake +++ b/cmake/presets/all_off.cmake @@ -63,8 +63,6 @@ set(ALL_PACKAGES MOFFF MOLECULE MOLFILE - MPIIO - MSCG NETCDF OPENMP OPT diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake index 79444f96aa..3f44a863f7 100644 --- a/cmake/presets/all_on.cmake +++ b/cmake/presets/all_on.cmake @@ -65,8 +65,6 @@ set(ALL_PACKAGES MOFFF MOLECULE MOLFILE - MPIIO - MSCG NETCDF OPENMP OPT diff --git a/cmake/presets/download.cmake b/cmake/presets/download.cmake index 13b93569f9..d10214ca65 100644 --- a/cmake/presets/download.cmake +++ b/cmake/presets/download.cmake @@ -9,7 +9,6 @@ endforeach() set(DOWNLOAD_KIM ON CACHE BOOL "" FORCE) set(DOWNLOAD_MDI ON CACHE BOOL "" FORCE) -set(DOWNLOAD_MSCG ON CACHE BOOL "" FORCE) set(DOWNLOAD_VORO ON CACHE BOOL "" FORCE) set(DOWNLOAD_EIGEN3 ON CACHE BOOL "" FORCE) set(DOWNLOAD_PACE ON CACHE BOOL "" FORCE) diff --git a/cmake/presets/macos-multiarch.cmake b/cmake/presets/macos-multiarch.cmake new file mode 100644 index 0000000000..58ef013f68 --- /dev/null +++ b/cmake/presets/macos-multiarch.cmake @@ -0,0 +1,14 @@ +# preset that will build portable multi-arch binaries on macOS without MPI + +set(CMAKE_OSX_ARCHITECTURES "arm64;x86_64" CACHE STRING "" FORCE) +set(CMAKE_OSX_DEPLOYMENT_TARGET 11.0 CACHE STRING "" FORCE) +set(CMAKE_BUILD_TYPE Release CACHE STRING "" FORCE) + +set(CMAKE_CXX_COMPILER "clang++" CACHE STRING "" FORCE) +set(CMAKE_C_COMPILER "clang" CACHE STRING "" FORCE) +set(CMAKE_CXX_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "" FORCE) +set(CMAKE_C_FLAGS_RELEASE "-O3 -DNDEBUG" CACHE STRING "" FORCE) + +set(BUILD_MPI FALSE CACHE BOOL "" FORCE) +set(BUILD_SHARED_LIBS FALSE CACHE BOOL "" FORCE) +set(LAMMPS_EXCEPTIONS TRUE CACHE BOOL "" FORCE) diff --git a/cmake/presets/mingw-cross.cmake b/cmake/presets/mingw-cross.cmake index 85f61be95b..f3565668b2 100644 --- a/cmake/presets/mingw-cross.cmake +++ b/cmake/presets/mingw-cross.cmake @@ -83,7 +83,6 @@ endforeach() # these two packages require a full MPI implementation if(BUILD_MPI) - set(PKG_MPIIO ON CACHE BOOL "" FORCE) set(PKG_LATBOLTZ ON CACHE BOOL "" FORCE) endif() diff --git a/cmake/presets/most.cmake b/cmake/presets/most.cmake index 00c74c81b8..2356e24764 100644 --- a/cmake/presets/most.cmake +++ b/cmake/presets/most.cmake @@ -24,8 +24,8 @@ set(ALL_PACKAGES DPD-REACT DPD-SMOOTH DRUDE - ELECTRODE EFF + ELECTRODE EXTRA-COMPUTE EXTRA-DUMP EXTRA-FIX diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake index 0e1b09b6cc..4a4a557505 100644 --- a/cmake/presets/nolib.cmake +++ b/cmake/presets/nolib.cmake @@ -19,8 +19,6 @@ set(PACKAGES_WITH_LIB ML-PACE ML-QUIP MOLFILE - MPIIO - MSCG NETCDF PLUMED PYTHON diff --git a/cmake/presets/windows.cmake b/cmake/presets/windows.cmake index aa9a4656af..9655134e7f 100644 --- a/cmake/presets/windows.cmake +++ b/cmake/presets/windows.cmake @@ -32,6 +32,7 @@ set(WIN_PACKAGES INTERLAYER KSPACE LEPTON + MACHDYN MANIFOLD MANYBODY MC @@ -45,6 +46,7 @@ set(WIN_PACKAGES MOLECULE MOLFILE OPENMP + OPT ORIENT PERI PHONON diff --git a/doc/lammps.1 b/doc/lammps.1 index 9bc107624f..79964d1680 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -1,7 +1,7 @@ -.TH LAMMPS "1" "15 June 2023" "2023-06-15" +.TH LAMMPS "1" "2 August 2023" "2023-08-2" .SH NAME .B LAMMPS -\- Molecular Dynamics Simulator. Version 15 June 2023 +\- Molecular Dynamics Simulator. Version 2 August 2023 .SH SYNOPSIS .B lmp diff --git a/doc/src/Build_basics.rst b/doc/src/Build_basics.rst index 0a0d4919a0..e250b3ec7c 100644 --- a/doc/src/Build_basics.rst +++ b/doc/src/Build_basics.rst @@ -90,7 +90,7 @@ standard. A more detailed discussion of that is below. directory, or ``make`` from the ``src/STUBS`` dir. If the build fails, you may need to edit the ``STUBS/Makefile`` for your platform. The stubs library does not provide MPI/IO functions - required by some LAMMPS packages, e.g. ``MPIIO`` or ``LATBOLTZ``, + required by some LAMMPS packages, e.g. ``LATBOLTZ``, and thus is not compatible with those packages. .. note:: @@ -128,14 +128,13 @@ and adds vectorization support when compiled with compatible compilers, in particular the Intel compilers on top of OpenMP. Also, the ``KOKKOS`` package can be compiled to include OpenMP threading. -In addition, there are a few commands in LAMMPS that have native -OpenMP support included as well. These are commands in the ``MPIIO``, -``ML-SNAP``, ``DIFFRACTION``, and ``DPD-REACT`` packages. -Furthermore, some packages support OpenMP threading indirectly through -the libraries they interface to: e.g. ``KSPACE``, and ``COLVARS``. -See the :doc:`Packages details ` page for more info -on these packages, and the pages for their respective commands for -OpenMP threading info. +In addition, there are a few commands in LAMMPS that have native OpenMP +support included as well. These are commands in the ``ML-SNAP``, +``DIFFRACTION``, and ``DPD-REACT`` packages. Furthermore, some packages +support OpenMP threading indirectly through the libraries they interface +to: e.g. ``KSPACE``, and ``COLVARS``. See the :doc:`Packages details +` page for more info on these packages, and the pages +for their respective commands for OpenMP threading info. For CMake, if you use ``BUILD_OMP=yes``, you can use these packages and turn on their native OpenMP support and turn on their native OpenMP diff --git a/doc/src/Build_cmake.rst b/doc/src/Build_cmake.rst index 9be2c33165..6c46f6d672 100644 --- a/doc/src/Build_cmake.rst +++ b/doc/src/Build_cmake.rst @@ -16,8 +16,7 @@ environments is on a :doc:`separate page `. .. note:: - LAMMPS currently requires that CMake version 3.10 or later is available; - version 3.12 or later is preferred. + LAMMPS currently requires that CMake version 3.16 or later is available. .. warning:: @@ -34,19 +33,18 @@ Advantages of using CMake ^^^^^^^^^^^^^^^^^^^^^^^^^ CMake is an alternative to compiling LAMMPS in the traditional way -through :doc:`(manually customized) makefiles ` and a recent -addition to LAMMPS thanks to the efforts of Christoph Junghans (LANL) -and Richard Berger (Temple U). Using CMake has multiple advantages that -are specifically helpful for people with limited experience in compiling -software or for people that want to modify or extend LAMMPS. +through :doc:`(manually customized) makefiles `. Using +CMake has multiple advantages that are specifically helpful for +people with limited experience in compiling software or for people +that want to modify or extend LAMMPS. - CMake can detect available hardware, tools, features, and libraries and adapt the LAMMPS default build configuration accordingly. - CMake can generate files for different build tools and integrated development environments (IDE). - CMake supports customization of settings with a command line, text - mode, or graphical user interface. No knowledge of file formats or - complex command line syntax is required. + mode, or graphical user interface. No manual editing of files, + knowledge of file formats or complex command line syntax is required. - All enabled components are compiled in a single build operation. - Automated dependency tracking for all files and configuration options. - Support for true out-of-source compilation. Multiple configurations diff --git a/doc/src/Build_extras.rst b/doc/src/Build_extras.rst index 0ecf54f744..6e2069c0ec 100644 --- a/doc/src/Build_extras.rst +++ b/doc/src/Build_extras.rst @@ -52,7 +52,6 @@ This is the list of packages that may require additional steps. * :ref:`ML-POD ` * :ref:`ML-QUIP ` * :ref:`MOLFILE ` - * :ref:`MSCG ` * :ref:`NETCDF ` * :ref:`OPENMP ` * :ref:`OPT ` @@ -140,6 +139,8 @@ CMake build # value = yes or no (default) -D CUDA_MPS_SUPPORT=value # enables some tweaks required to run with active nvidia-cuda-mps daemon # value = yes or no (default) + -D CUDA_BUILD_MULTIARCH=value # enables building CUDA kernels for all supported GPU architectures + # value = yes (default) or no -D USE_STATIC_OPENCL_LOADER=value # downloads/includes OpenCL ICD loader library, no local OpenCL headers/libs needed # value = yes (default) or no @@ -158,41 +159,49 @@ CMake build A more detailed list can be found, for example, at `Wikipedia's CUDA article `_ -CMake can detect which version of the CUDA toolkit is used and thus will try -to include support for **all** major GPU architectures supported by this toolkit. -Thus the GPU_ARCH setting is merely an optimization, to have code for -the preferred GPU architecture directly included rather than having to wait -for the JIT compiler of the CUDA driver to translate it. +CMake can detect which version of the CUDA toolkit is used and thus will +try to include support for **all** major GPU architectures supported by +this toolkit. Thus the GPU_ARCH setting is merely an optimization, to +have code for the preferred GPU architecture directly included rather +than having to wait for the JIT compiler of the CUDA driver to translate +it. This behavior can be turned off (e.g. to speed up compilation) by +setting :code:`CUDA_ENABLE_MULTIARCH` to :code:`no`. -When compiling for CUDA or HIP with CUDA, version 8.0 or later of the CUDA toolkit -is required and a GPU architecture of Kepler or later, which must *also* be -supported by the CUDA toolkit in use **and** the CUDA driver in use. -When compiling for OpenCL, OpenCL version 1.2 or later is required and the -GPU must be supported by the GPU driver and OpenCL runtime bundled with the driver. +When compiling for CUDA or HIP with CUDA, version 8.0 or later of the +CUDA toolkit is required and a GPU architecture of Kepler or later, +which must *also* be supported by the CUDA toolkit in use **and** the +CUDA driver in use. When compiling for OpenCL, OpenCL version 1.2 or +later is required and the GPU must be supported by the GPU driver and +OpenCL runtime bundled with the driver. -When building with CMake, you **must NOT** build the GPU library in ``lib/gpu`` -using the traditional build procedure. CMake will detect files generated by that -process and will terminate with an error and a suggestion for how to remove them. +When building with CMake, you **must NOT** build the GPU library in +``lib/gpu`` using the traditional build procedure. CMake will detect +files generated by that process and will terminate with an error and a +suggestion for how to remove them. -If you are compiling for OpenCL, the default setting is to download, build, and -link with a static OpenCL ICD loader library and standard OpenCL headers. This -way no local OpenCL development headers or library needs to be present and only -OpenCL compatible drivers need to be installed to use OpenCL. If this is not -desired, you can set :code:`USE_STATIC_OPENCL_LOADER` to :code:`no`. +If you are compiling for OpenCL, the default setting is to download, +build, and link with a static OpenCL ICD loader library and standard +OpenCL headers. This way no local OpenCL development headers or library +needs to be present and only OpenCL compatible drivers need to be +installed to use OpenCL. If this is not desired, you can set +:code:`USE_STATIC_OPENCL_LOADER` to :code:`no`. -The GPU library has some multi-thread support using OpenMP. If LAMMPS is built -with ``-D BUILD_OMP=on`` this will also be enabled. +The GPU library has some multi-thread support using OpenMP. If LAMMPS +is built with ``-D BUILD_OMP=on`` this will also be enabled. -If you are compiling with HIP, note that before running CMake you will have to -set appropriate environment variables. Some variables such as -:code:`HCC_AMDGPU_TARGET` (for ROCm <= 4.0) or :code:`CUDA_PATH` are necessary for :code:`hipcc` -and the linker to work correctly. +If you are compiling with HIP, note that before running CMake you will +have to set appropriate environment variables. Some variables such as +:code:`HCC_AMDGPU_TARGET` (for ROCm <= 4.0) or :code:`CUDA_PATH` are +necessary for :code:`hipcc` and the linker to work correctly. -Using CHIP-SPV implementation of HIP is now supported. It allows one to run HIP -code on Intel GPUs via the OpenCL or Level Zero backends. To use CHIP-SPV, you must -set :code:`-DHIP_USE_DEVICE_SORT=OFF` in your CMake command line as CHIP-SPV does not -yet support hipCUB. The use of HIP for Intel GPUs is still experimental so you -should only use this option in preparations to run on Aurora system at ANL. +.. versionadded:: 3Aug2022 + +Using the CHIP-SPV implementation of HIP is supported. It allows one to +run HIP code on Intel GPUs via the OpenCL or Level Zero backends. To use +CHIP-SPV, you must set :code:`-DHIP_USE_DEVICE_SORT=OFF` in your CMake +command line as CHIP-SPV does not yet support hipCUB. As of Summer 2022, +the use of HIP for Intel GPUs is experimental. You should only use this +option in preparations to run on Aurora system at Argonne. .. code:: bash @@ -629,6 +638,12 @@ They must be specified in uppercase. * - VEGA90A - GPU - AMD GPU MI200 GFX90A + * - NAVI1030 + - GPU + - AMD GPU V620/W6800 + * - NAVI1100 + - GPU + - AMD GPU RX7900XTX * - INTEL_GEN - GPU - SPIR64-based devices, e.g. Intel GPUs, using JIT @@ -651,7 +666,7 @@ They must be specified in uppercase. - GPU - Intel GPU Ponte Vecchio -This list was last updated for version 3.7.1 of the Kokkos library. +This list was last updated for version 4.0.1 of the Kokkos library. .. tabs:: @@ -921,59 +936,6 @@ Python version 3.6 or later. ---------- -.. _mscg: - -MSCG package ------------------------ - -To build with this package, you must download and build the MS-CG -library. Building the MS-CG library requires that the GSL -(GNU Scientific Library) headers and libraries are installed on your -machine. See the ``lib/mscg/README`` and ``MSCG/Install`` files for -more details. - -.. tabs:: - - .. tab:: CMake build - - .. code-block:: bash - - -D DOWNLOAD_MSCG=value # download MSCG for build, value = no (default) or yes - -D MSCG_LIBRARY=path # MSCG library file (only needed if a custom location) - -D MSCG_INCLUDE_DIR=path # MSCG include directory (only needed if a custom location) - - If ``DOWNLOAD_MSCG`` is set, the MSCG library will be downloaded - and built inside the CMake build directory. If the MSCG library - is already on your system (in a location CMake cannot find it), - ``MSCG_LIBRARY`` is the filename (plus path) of the MSCG library - file, not the directory the library file is in. - ``MSCG_INCLUDE_DIR`` is the directory the MSCG include file is in. - - .. tab:: Traditional make - - You can download and build the MS-CG library manually if you - prefer; follow the instructions in ``lib/mscg/README``\ . You can - also do it in one step from the ``lammps/src`` dir, using a - command like these, which simply invokes the - ``lib/mscg/Install.py`` script with the specified args: - - .. code-block:: bash - - make lib-mscg # print help message - make lib-mscg args="-b -m serial" # download and build in lib/mscg/MSCG-release-master - # with the settings compatible with "make serial" - make lib-mscg args="-b -m mpi" # download and build in lib/mscg/MSCG-release-master - # with the settings compatible with "make mpi" - make lib-mscg args="-p /usr/local/mscg-release" # use the existing MS-CG installation in /usr/local/mscg-release - - Note that 2 symbolic (soft) links, ``includelink`` and ``liblink``, - will be created in ``lib/mscg`` to point to the MS-CG - ``src/installation`` dir. When LAMMPS is built in src it will use - these links. You should not need to edit the - ``lib/mscg/Makefile.lammps`` file. - ----------- - .. _opt: OPT package diff --git a/doc/src/Build_package.rst b/doc/src/Build_package.rst index 2328e4d1e5..bc6445f813 100644 --- a/doc/src/Build_package.rst +++ b/doc/src/Build_package.rst @@ -55,7 +55,6 @@ packages: * :ref:`ML-POD ` * :ref:`ML-QUIP ` * :ref:`MOLFILE ` - * :ref:`MSCG ` * :ref:`NETCDF ` * :ref:`OPENMP ` * :ref:`OPT ` diff --git a/doc/src/Build_settings.rst b/doc/src/Build_settings.rst index c2e7b94b0e..7576cae3eb 100644 --- a/doc/src/Build_settings.rst +++ b/doc/src/Build_settings.rst @@ -459,27 +459,13 @@ those systems: .. _exceptions: Exception handling when using LAMMPS as a library ------------------------------------------------------------------- +------------------------------------------------- -This setting is useful when external codes drive LAMMPS as a library. -With this option enabled, LAMMPS errors do not kill the calling code. -Instead, the call stack is unwound and control returns to the caller, -e.g. to Python. Of course, the calling code has to be set up to -*catch* exceptions thrown from within LAMMPS. - -.. tabs:: - - .. tab:: CMake build - - .. code-block:: bash - - -D LAMMPS_EXCEPTIONS=value # yes or no (default) - - .. tab:: Traditional make - - .. code-block:: make - - LMP_INC = -DLAMMPS_EXCEPTIONS +LAMMPS errors do not kill the calling code, but throw an exception. In +the C-library interface, the call stack is unwound and control returns +to the caller, e.g. to Python or a code that is coupled to LAMMPS and +the error status can be queried. When using C++ directly, the calling +code has to be set up to *catch* exceptions thrown from within LAMMPS. .. note:: diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst index 9066531459..dbd6b58ce7 100644 --- a/doc/src/Commands_compute.rst +++ b/doc/src/Commands_compute.rst @@ -91,6 +91,7 @@ KOKKOS, o = OPENMP, t = OPT. * :doc:`ke/atom/eff ` * :doc:`ke/eff ` * :doc:`ke/rigid ` + * :doc:`composition/atom (k) ` * :doc:`mliap ` * :doc:`momentum ` * :doc:`msd ` diff --git a/doc/src/Commands_dump.rst b/doc/src/Commands_dump.rst index 870cb168ef..d7c8e73b58 100644 --- a/doc/src/Commands_dump.rst +++ b/doc/src/Commands_dump.rst @@ -23,17 +23,14 @@ An alphabetic list of all LAMMPS :doc:`dump ` commands. * :doc:`atom ` * :doc:`atom/adios ` * :doc:`atom/gz ` - * :doc:`atom/mpiio ` * :doc:`atom/zstd ` * :doc:`cfg ` * :doc:`cfg/gz ` - * :doc:`cfg/mpiio ` * :doc:`cfg/uef ` * :doc:`cfg/zstd ` * :doc:`custom ` * :doc:`custom/adios ` * :doc:`custom/gz ` - * :doc:`custom/mpiio ` * :doc:`custom/zstd ` * :doc:`dcd ` * :doc:`grid ` @@ -51,7 +48,6 @@ An alphabetic list of all LAMMPS :doc:`dump ` commands. * :doc:`xtc ` * :doc:`xyz ` * :doc:`xyz/gz ` - * :doc:`xyz/mpiio ` * :doc:`xyz/zstd ` * :doc:`yaml ` diff --git a/doc/src/Commands_fix.rst b/doc/src/Commands_fix.rst index 6fe321e3c9..5aabb7967c 100644 --- a/doc/src/Commands_fix.rst +++ b/doc/src/Commands_fix.rst @@ -116,7 +116,6 @@ OPT. * :doc:`momentum (k) ` * :doc:`momentum/chunk ` * :doc:`move ` - * :doc:`mscg ` * :doc:`msst ` * :doc:`mvv/dpd ` * :doc:`mvv/edpd ` diff --git a/doc/src/Commands_removed.rst b/doc/src/Commands_removed.rst index 1848a28024..84cc534304 100644 --- a/doc/src/Commands_removed.rst +++ b/doc/src/Commands_removed.rst @@ -85,6 +85,35 @@ The same functionality is available through :doc:`bond style mesocnt ` and :doc:`angle style mesocnt `. +MPIIO package +------------- + +.. deprecated:: TBD + +The MPIIO package has been removed from LAMMPS since it was unmaintained +for many years and thus not updated to incorporate required changes that +had been applied to the corresponding non-MPIIO commands. As a +consequence the MPIIO commands had become unreliable and sometimes +crashing LAMMPS or corrupting data. Similar functionality is available +through the :ref:`ADIOS package ` and the :ref:`NETCDF +package `. Also, the :doc:`dump_modify nfile or dump_modify +fileper ` keywords may be used for an efficient way of +writing out dump files when running on large numbers of processors. +Similarly, the "nfile" and "fileper" keywords exist for restarts: +see :doc:`restart `, :doc:`read_restart `, +:doc:`write_restart `. + + +MSCG package +------------ + +.. deprecated:: TBD + +The MSCG package has been removed from LAMMPS since it was unmaintained +for many years and instead superseded by the `OpenMSCG software +`_ of the Voth group at the +University of Chicago, which can be used independent from LAMMPS. + REAX package ------------ diff --git a/doc/src/Developer_grid.rst b/doc/src/Developer_grid.rst index cd6d8d12ab..22eadd5da8 100644 --- a/doc/src/Developer_grid.rst +++ b/doc/src/Developer_grid.rst @@ -92,8 +92,8 @@ Arguments for these methods can be values returned by the *setup_grid()* method (described below), which define the extent of the grid cells (owned+ghost) the processor owns. These 4 methods allocate memory for 2d (first two) and 3d (second two) grid data. The -two methods that end in "_one" allocate an array which stores a single -value per grid cell. The two that end in "_multi" allocate an array +two methods that end in "_offset" allocate an array which stores a single +value per grid cell. The two that end in "_last" allocate an array which stores *Nvalues* per grid cell. .. code-block:: c++ diff --git a/doc/src/Errors_messages.rst b/doc/src/Errors_messages.rst index 293cf6ab53..bfdba4f6a1 100644 --- a/doc/src/Errors_messages.rst +++ b/doc/src/Errors_messages.rst @@ -7148,9 +7148,6 @@ keyword to allow for additional bonds to be formed *Read_dump xyz fields do not have consistent scaling/wrapping* Self-explanatory. -*Reading from MPI-IO filename when MPIIO package is not installed* - Self-explanatory. - *Reax_defs.h setting for NATDEF is too small* Edit the setting in the ReaxFF library and re-compile the library and re-build LAMMPS. @@ -8489,9 +8486,6 @@ keyword to allow for additional bonds to be formed The write_restart command cannot be used before a read_data, read_restart, or create_box command. -*Writing to MPI-IO filename when MPIIO package is not installed* - Self-explanatory. - *Zero length rotation vector with displace_atoms* Self-explanatory. diff --git a/doc/src/Examples.rst b/doc/src/Examples.rst index f2ca9a43ce..c5da4a498b 100644 --- a/doc/src/Examples.rst +++ b/doc/src/Examples.rst @@ -104,8 +104,6 @@ Lowercase directories +-------------+------------------------------------------------------------------+ | min | energy minimization of 2d LJ melt | +-------------+------------------------------------------------------------------+ -| mscg | parameterize a multi-scale coarse-graining (MSCG) model | -+-------------+------------------------------------------------------------------+ | msst | MSST shock dynamics | +-------------+------------------------------------------------------------------+ | multi | multi neighboring for systems with large interaction disparities | diff --git a/doc/src/Fortran.rst b/doc/src/Fortran.rst index 3b9ad9d1ff..913c31842e 100644 --- a/doc/src/Fortran.rst +++ b/doc/src/Fortran.rst @@ -2278,19 +2278,13 @@ Procedures Bound to the :f:type:`lammps` Derived Type .. versionadded:: 3Nov2022 - In case of an error, LAMMPS will either abort or throw a C++ exception. - The latter has to be :ref:`enabled at compile time `. - This function checks if exceptions were enabled. - - When using the library interface with C++ exceptions enabled, the library - interface functions will "catch" them, and the error status can then be - checked by calling :f:func:`has_error`. The most recent error message can be - retrieved via :f:func:`get_last_error_message`. - This can allow one to restart a calculation or delete and recreate - the LAMMPS instance when a C++ exception occurs. One application - of using exceptions this way is the :ref:`lammps_shell`. If C++ - exceptions are disabled and an error happens during a call to - LAMMPS or the Fortran API, the application will terminate. + When using the library interface, the library interface functions + will "catch" exceptions, and then the error status can be checked by + calling :f:func:`has_error`. The most recent error message can be + retrieved via :f:func:`get_last_error_message`. This allows to + restart a calculation or delete and recreate the LAMMPS instance when + a C++ exception occurs. One application of using exceptions this way + is the :ref:`lammps_shell`. :to: :cpp:func:`lammps_config_has_exceptions` :r has_exceptions: diff --git a/doc/src/Howto.rst b/doc/src/Howto.rst index 4752cf6aea..b1f5da8abc 100644 --- a/doc/src/Howto.rst +++ b/doc/src/Howto.rst @@ -100,6 +100,7 @@ Tutorials howto Howto_cmake Howto_github + Howto_lammps_gui Howto_pylammps Howto_wsl diff --git a/doc/src/Howto_cmake.rst b/doc/src/Howto_cmake.rst index c997aa52bf..42324cf2f1 100644 --- a/doc/src/Howto_cmake.rst +++ b/doc/src/Howto_cmake.rst @@ -1,11 +1,11 @@ -Using CMake with LAMMPS tutorial -================================ +Using CMake with LAMMPS +======================= The support for building LAMMPS with CMake is a recent addition to LAMMPS thanks to the efforts of Christoph Junghans (LANL) and Richard -Berger (Temple U). One of the key strengths of CMake is that it is not -tied to a specific platform or build system and thus generate the files -necessary to build and develop for different build systems and on +Berger (LANL). One of the key strengths of CMake is that it is not +tied to a specific platform or build system. Instead it generates the +files necessary to build and develop for different build systems and on different platforms. Note, that this applies to the build system itself not the LAMMPS code. In other words, without additional porting effort, it is not possible - for example - to compile LAMMPS with Visual C++ on @@ -14,7 +14,7 @@ necessary to program LAMMPS as a project in integrated development environments (IDE) like Eclipse, Visual Studio, QtCreator, Xcode, CodeBlocks, Kate and others. -A second important feature of CMake is, that it can detect and validate +A second important feature of CMake is that it can detect and validate available libraries, optimal settings, available support tools and so on, so that by default LAMMPS will take advantage of available tools without requiring to provide the details about how to enable/integrate @@ -32,8 +32,8 @@ program ``cmake`` (or ``cmake3``), a text mode interactive user interface (TUI) program ``ccmake`` (or ``ccmake3``), or a graphical user interface (GUI) program ``cmake-gui``. All of them are portable software available on all supported platforms and can be used -interchangeably. The minimum supported CMake version is 3.10 (3.12 or -later is recommended). +interchangeably. As of LAMMPS version 2 August 2023, the minimum +required CMake version is 3.16. All details about features and settings for CMake are in the `CMake online documentation `_. We focus @@ -43,11 +43,20 @@ Prerequisites ------------- This tutorial assumes that you are operating in a command-line environment -using a shell like Bash. +using a shell like Bash or Zsh. -- Linux: any Terminal window will work -- macOS: launch the Terminal application. -- Windows 10: install and run the :doc:`Windows Subsystem for Linux ` +- Linux: any Terminal window will work or text console +- macOS: launch the Terminal application +- Windows 10 or 11: install and run the :doc:`Windows Subsystem for Linux ` +- other Unix-like operating systems like FreeBSD + +.. note:: + + It is also possible to use CMake on Windows 10 or 11 through either the Microsoft + Visual Studio IDE with the bundled CMake or from the Windows command prompt using + a separately installed CMake package, both using the native Microsoft Visual C++ + compilers and (optionally) the Microsoft MPI SDK. This tutorial, however, only + covers unix-like command line interfaces. We also assume that you have downloaded and unpacked a recent LAMMPS source code package or used Git to create a clone of the LAMMPS sources on your compilation machine. @@ -338,8 +347,6 @@ Some common LAMMPS specific variables - common compiler flags, for optimization or instrumentation (default:) * - ``LAMMPS_MACHINE`` - when set to ``name`` the LAMMPS executable and library will be called ``lmp_name`` and ``liblammps_name.a`` - * - ``LAMMPS_EXCEPTIONS`` - - when set to ``on`` errors will throw a C++ exception instead of aborting (default: ``off``) * - ``FFT`` - select which FFT library to use: ``FFTW3``, ``MKL``, ``KISS`` (default, unless FFTW3 is found) * - ``FFT_SINGLE`` @@ -412,9 +419,9 @@ interface (``ccmake`` or ``cmake-gui``). Using a preset to select a compiler package (``clang.cmake``, ``gcc.cmake``, ``intel.cmake``, ``oneapi.cmake``, or ``pgi.cmake``) - are an exception to the mechanism of updating the configuration incrementally, - as they will trigger a reset of cached internal CMake settings and thus - reset settings to their default values. + are an exception to the mechanism of updating the configuration + incrementally, as they will trigger a reset of cached internal CMake + settings and thus reset settings to their default values. Compilation and build targets ----------------------------- diff --git a/doc/src/Howto_lammps_gui.rst b/doc/src/Howto_lammps_gui.rst new file mode 100644 index 0000000000..4b89af53b7 --- /dev/null +++ b/doc/src/Howto_lammps_gui.rst @@ -0,0 +1,402 @@ +Using the LAMMPS GUI +==================== + +LAMMPS GUI is a simple graphical text editor that is linked to the +:ref:`LAMMPS C-library interface ` and thus can run LAMMPS +directly using the contents of the editor's text buffer as input. + +This is similar to what people traditionally would do to run LAMMPS: +using a regular text editor to edit the input and run the necessary +commands, possibly including the text editor, too, from a command line +terminal window. That is quite effective when running LAMMPS on +high-performance computing facilities and when you are very proficient +in using the command line. The main benefit of a GUI application is +that this integrates well with graphical desktop environments and many +basic tasks can be done directly from within the GUI without switching +to a text console or requiring external programs or scripts to extract +data from the generated output. This makes it easier for beginners to +get started running simple LAMMPS simulations and thus very suitable for +tutorials on LAMMPS. But also makes it easier to switch to a full +featured text editor and more sophisticated visualization and analysis +tools. + +----- + +The following text provides a detailed tour of the features and +functionality of the LAMMPS GUI. This document describes LAMMPS GUI +version 1.2. + +Main window +----------- + +When LAMMPS GUI starts, it will show the main window with either an +empty buffer, or have a file loaded. In the latter case it may look like +the following: + +.. image:: JPG/lammps-gui-main.png + :align: center + :scale: 50% + +There is the menu bar at the top, then the main editor buffer with the +input file contents in the center with line numbers on the left and the +input colored according to the LAMMPS input file syntax. At the bottom +is the status bar, which shows the status of LAMMPS execution on the +left ("Ready." when idle) and the current working directory on the +right. The size of the main window will be stored when exiting and +restored when starting again. The name of the current file in the +buffer is shown in the window title and the text `*modified*` is added +in case the buffer has modifications that are not yet saved to a file. + +Opening Files +^^^^^^^^^^^^^ + +The LAMMPS GUI application will try to open the first command line +argument as input file, further arguments are ignored. When no +argument is given LAMMPS GUI will start with an empty buffer. +Files can also be opened via the ``File`` menu or by drag-and-drop +of a file from a file manager to the editor window. Only one +file can be open at a time, so opening a new file with a filled +buffer will close this buffer and in case the buffer has unsaved +modifications will ask to either cancel the load, discard the +changes or save them. + + +Running LAMMPS +^^^^^^^^^^^^^^ + +From within the LAMMPS GUI main window LAMMPS can be started either from +the ``Run`` menu, by the hotkey `Ctrl-Enter` (`Command-Enter` on macOS), +or by clicking on the green button in the status bar. LAMMPS runs in a +separate thread, so the GUI stays responsive and thus it is able to +interact with the calculation and access its data. It is important to +note, that LAMMPS is using the contents of the input buffer for the run, +**not** the file it was read from. If there are unsaved changes in the +buffer, they *will* be used. + +.. image:: JPG/lammps-gui-running.png + :align: center + :scale: 75% + +While LAMMPS is running, the contents of the status bar change: on the +left side there is a text indicating that LAMMPS is running, which will +contain the selected number of threads, if thread-parallel acceleration +was selected in the ``Preferences`` dialog. On the right side, a +progress bar is shown that displays the estimated progress on the +current :doc:`run command `. Additionally, two windows will open: +the log window with the captured screen output and the chart window with +a line graph created from the thermodynamic output of the run. + +The run can be stopped cleanly by using either the ``Stop LAMMPS`` entry +in the ``Run`` menu, the hotkey `Ctrl-/` (`Command-/` on macOS), or +clicking on the red button in the status bar. This will cause that the +running LAMMPS process will complete the current iteration and then +stop. This is equivalent to the command :doc:`timer timeout 0 ` +and implemented by calling the :cpp:func:`lammps_force_timeout()` +function of the LAMMPS C-library interface. + + +Viewing Snapshot Images +^^^^^^^^^^^^^^^^^^^^^^^ + +By selecting the ``View Image`` entry in the ``Run`` menu, by hitting +the `Ctrl-I` (`Command-I` on macOS) hotkey or by clicking on the +"palette" button in the status bar, LAMMPS GUI will issue a +:doc:`write_dump image ` command and read the resulting +snapshot image into an image viewer window. When possible, LAMMPS +GUI will try to detect which elements the atoms correspond to (via +their mass) and then colorize them accordingly. Otherwise just some +predefined sequence of colors are assigned to different atom types. + +.. image:: JPG/lammps-gui-image.png + :align: center + :scale: 50% + +The default image size, some default image quality settings, the view +style and some colors can be changed in the ``Preferences`` dialog +window. From the image viewer window further adjustments can be made: +actual image size, high-quality rendering, anti-aliasing, view style, +display of box or axes, zoom factor. The the image can be rotated +horizontally and vertically and it is possible to only display the atoms +within a predefined group (default is "all"). After each change, the +image is rendered again and the display updated. The small palette icon +on the top left will be colored while LAMMPS is running to render the +image and it will be grayed out again, when it is done. When there are +many items to show and high quality images with anti-aliasing are +requested, re-rendering can take several seconds. From the ``File`` +menu, the shown image can be saved to a file permanently or copied into +the cut-n-paste buffer for pasting into another application. + + +Editor Functions +^^^^^^^^^^^^^^^^ + +The editor has most the usual functionality that similar programs have: +text selection via mouse or with cursor moves while holding the Shift +key, Cut, Copy, Paste, Undo, Redo. All of these editing functions are +available via hotkeys. When trying to exit the editor with a modified +buffer, a dialog will pop up asking whether to cancel the quit, or don't +save or save the buffer's contents to a file. + +Context Specific Help +^^^^^^^^^^^^^^^^^^^^^ + +.. image:: JPG/lammps-gui-popup-help.png + :align: center + :scale: 50% + +A unique feature of the LAMMPS GUI is the option to look up the +documentation for the command in the current line. This can be achieved +by either clicking the right mouse button or by using the `Ctrl-?` +hotkey. When clicking the mouse there are additional entries in the +context menu that will open the corresponding documentation page in the +online LAMMPS documentation. When using the hotkey, the first of those +entries will be chosen directly. + +Menu +---- + +The menu bar the entries ``File``, ``Edit``, ``Run``, ``View``, and ``About``. +Instead of using the mouse to click on them, the individual menus can also +be activated by hitting the `Alt` key together with the corresponding underlined +letter, that is `Alt-f` will activate the ``File`` menu. For the corresponding +activated sub-menus, also the underlined letter, together with the `Alt` key can +be used to select instead of the mouse. + +File +^^^^ + +The ``File`` menu offers the usual options: + +- ``New`` will clear the current buffer and reset the file name to ``*unknown*`` +- ``Open`` will open a dialog to select a new file +- ``Save`` will save the current file; if the file name is ``*unknown*`` + a dialog will open to select a new file name +- ``Save As`` will open a dialog to select and new file name and save + the buffer to it +- ``Quit`` will exit LAMMPS GUI. If there are unsaved changes, a dialog + will appear to either cancel the quit, save or don't save the file. + +In addition, up to 5 recent file names will be listed after the ``Open`` +entry that allows to re-open recent files. This list is stored when +quitting and recovered when starting again. + +Edit +^^^^ + +The ``Edit`` menu offers the usual editor functions like ``Undo``, +``Redo``, ``Cut``, ``Copy``, ``Paste``, but also offers to open the +``Preferences`` dialog and to delete all stored preferences so they +will be reset to their defaults. + +Run +^^^ + +The ``Run`` menu allows to start and stop a LAMMPS process. Rather than +calling the LAMMPS executable as a separate executable, the LAMMPS GUI +is linked to the LAMMPS library and thus can run LAMMPS internally +through the :ref:`LAMMPS C-library interface `. +Specifically, a LAMMPS instance will be created by calling +:cpp:func:`lammps_open_no_mpi` and then the buffer contents run by +calling :cpp:func:`lammps_commands_string`. Certain commands and +features are only available, after a LAMMPS instance is created. Its +presence is indicated by a small LAMMPS ``L`` logo in the status bar at +the bottom left of the main window. + +The LAMMPS calculation will be run in a concurrent thread so that the +GUI will stay responsive and will be updated during the run. This can +be used to tell the running LAMMPS instance to stop at the next +timestep. The ``Stop LAMMPS`` entry will do this by calling +:cpp:func:`lammps_force_timeout`, which is equivalent to a :doc:`timer +timeout 0 ` command. + +The ``Set Variables`` entry will open a dialog box where :doc:`index style variables ` +can be set. Those variables will be passed to the LAMMPS instance when +it is created and are thus set *before* a run is started. + +.. image:: JPG/lammps-gui-variables.png + :align: center + :scale: 75% + +The ``Set Variables`` dialog will be pre-populated with entries that are +set as index variables in the input and any variables that are used but +not defined as far as the built-in parser can detect them. New rows for +additional variables can be added through the ``Add Row`` button and +existing rows deleted by clicking on the ``X`` icons on the right. + +The ``View Image`` entry will send a :doc:`dump image ` +command to the LAMMPS instance, read the resulting file, and show it in +an ``Image Viewer`` window. + +The ``View in OVITO`` entry will launch `OVITO `_ +with a :doc:`data file ` of the current state of the system. +This option is only available, if the LAMMPS GUI can find the OVITO +executable in the system path. + +The ``View in VMD`` entry will instead launch VMD, also to load a +:doc:`data file ` of the current state of the system. This +option is only available, if the LAMMPS GUI can find the VMD executable +in the system path. + +View +^^^^ + +The ``View`` menu offers to show or hide the three optional windows +with log output, graphs, or images. The default settings for those +can be changed in the ``Preferences dialog``. + +About +^^^^^ + +The ``About`` menu finally offers a couple of dialog windows and an +option to launch the LAMMPS online documentation in a web browser. The +``About LAMMPS GUI`` entry displays a dialog with a summary of the +configuration settings of the LAMMPS library in use and the version +number of LAMMPS GUI itself. The ``Quick Help`` displays a dialog with +a minimal description of LAMMPS GUI. And ``LAMMPS Manual`` will open +the main page of this LAMMPS documentation at https://docs.lammps.org/. + +Preferences +----------- + +The ``Preferences`` dialog allows to customize some of the behavior +and looks of the LAMMPS GUI application. The settings are grouped +and each group is displayed within a tab. + +.. |guiprefs1| image:: JPG/lammps-gui-prefs-general.png + :width: 25% + +.. |guiprefs2| image:: JPG/lammps-gui-prefs-accel.png + :width: 25% + +.. |guiprefs3| image:: JPG/lammps-gui-prefs-image.png + :width: 25% + +|guiprefs1| |guiprefs2| |guiprefs3| + +General Settings: +^^^^^^^^^^^^^^^^^ + +- *Echo input to log:* when checked, all input commands, including + variable expansions, will be echoed to the log window. This is + equivalent to using `-echo screen` at the command line. There is no + log *file* produced since it always uses `-log none`. +- *Include citation details:* when checked full citation info will be + included to the log window. This is equivalent to using `-cite + screen` on the command line. +- *Show log window by default:* when checked, the screen output of a + LAMMPS run will be collected in a log window during the run +- *Show chart window by default:* when checked, the thermodynamic + output of a LAMMPS run will be collected and displayed in a chart + window as line graphs. +- *Replace log window on new run:* when checked, an existing log + window will be replaced on a new LAMMPS run, otherwise each run will + create a new log window. +- *Replace chart window on new run:* when checked, an existing chart + window will be replaced on a new LAMMPS run, otherwise each run will + create a new chart window. +- *Replace image window on new render:* when checked, an existing + chart window will be replaced when a new snapshot image is requested, + otherwise each command will create a new image window. +- *Path to LAMMPS Shared Library File:* this options is only available + when LAMMPS GUI was compiled to load the LAMMPS library at run time + instead of being linked to it directly. With the ``Browse..`` button + or by changing the text, a different shared library file with a + different compilation of LAMMPS with different settings or from a + different version can be loaded. After this setting was changed, + LAMMPS GUI needs to be re-launched. +- *Select Default Font:* Opens a font selection dialog where the type + and size for the default font (used for everything but the editor and + log) of the application can be set. +- *Select Text Font:* Opens a font selection dialog where the type and + size for the text editor and log font of the application can be set. + +Accelerators: +^^^^^^^^^^^^^ + +This tab enables to select which accelerator package is used and is +equivalent to using the `-suffix` and `-package` flags on the command +line. Only settings supported by the LAMMPS library and local hardware +are available. The `Number of threads` field allows to set the maximum +number of threads for the accelerator packages that use threads. + +Snapshot Image: +^^^^^^^^^^^^^^^ + +This tab allows to set some defaults for the snapshot images displayed +in the ``Image Viewer`` window, like its dimensions and the zoom factor +applied. The *Antialias* switch requests to render images with twice +the number of pixels for width and height and then smoothly scales the +image back to the requested size. This produces higher quality images +with smoother edges at the expense of requiring more CPU time to render +the image. The *HQ Image mode* option turns on using a screen space +ambient occlusion mode (SSAO) when rendering images. This is also more +time consuming, but produces a more 'spatial' representation of the +system. The *VDW Style* checkbox selects whether atoms are represented +by space filling spheres when checked or by smaller spheres and stick. +Finally there are a couple of drop down lists to select the background +and box color. + + +Hotkeys +------- + +Almost all functionality is accessible from the menu or via hotkeys. +The following hotkeys are available (On macOS use the Command key +instead of Ctrl/Control). + +.. list-table:: + :header-rows: 1 + :widths: auto + + * - Hotkey + - Function + - Hotkey + - Function + - Hotkey + - Function + - Hotkey + - Function + * - Ctrl+N + - New File + - Ctrl+Z + - Undo edit + - Ctrl+Enter + - Run LAMMPS + - Ctrl+Shift+A + - About LAMMPS GUI + * - Ctrl+O + - Open File + - Ctrl+Shift+Z + - Redo edit + - Ctrl+/ + - Stop Active Run + - Ctrl+Shift+H + - Quick Help + * - CTRL+S + - Save File + - Ctrl+C + - Copy text + - Ctrl+Shift+V + - Set Variables + - Ctrl+Shift+G + - LAMMPS GUI Howto + * - Ctrl+Shift+S + - Save File As + - Ctrl+X + - Cut text + - Ctrl+I + - Create Snapshot Image + - Ctrl+Shift+M + - LAMMPS Manual + * - Ctrl+Q + - Quit + - Ctrl+V + - Paste text + - Ctrl+P + - Preferences + - Ctrl+? + - Context Help + +Further editing keybindings `are documented with the Qt documentation +`_. In +case of conflicts the list above takes precedence. diff --git a/doc/src/Howto_pylammps.rst b/doc/src/Howto_pylammps.rst index 9a9fef5efc..2db61cd5bb 100644 --- a/doc/src/Howto_pylammps.rst +++ b/doc/src/Howto_pylammps.rst @@ -53,10 +53,10 @@ System-wide Installation Step 1: Building LAMMPS as a shared library """"""""""""""""""""""""""""""""""""""""""" -To use LAMMPS inside of Python it has to be compiled as shared library. This -library is then loaded by the Python interface. In this example we enable the -MOLECULE package and compile LAMMPS with C++ exceptions, PNG, JPEG and FFMPEG -output support enabled. +To use LAMMPS inside of Python it has to be compiled as shared +library. This library is then loaded by the Python interface. In this +example we enable the MOLECULE package and compile LAMMPS with PNG, JPEG +and FFMPEG output support enabled. Step 1a: For the CMake based build system, the steps are: @@ -66,7 +66,7 @@ Step 1a: For the CMake based build system, the steps are: cd $LAMMPS_DIR/build-shared # MPI, PNG, Jpeg, FFMPEG are auto-detected - cmake ../cmake -DPKG_MOLECULE=yes -DLAMMPS_EXCEPTIONS=yes -DBUILD_LIB=yes -DBUILD_SHARED_LIBS=yes + cmake ../cmake -DPKG_MOLECULE=yes -DBUILD_LIB=yes -DBUILD_SHARED_LIBS=yes make Step 1b: For the legacy, make based build system, the steps are: @@ -79,7 +79,7 @@ Step 1b: For the legacy, make based build system, the steps are: make yes-MOLECULE # compile shared library using Makefile - make mpi mode=shlib LMP_INC="-DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_EXCEPTIONS" JPG_LIB="-lpng -ljpeg" + make mpi mode=shlib LMP_INC="-DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG" JPG_LIB="-lpng -ljpeg" Step 2: Installing the LAMMPS Python package """""""""""""""""""""""""""""""""""""""""""" @@ -356,18 +356,16 @@ Together with matplotlib plotting data out of LAMMPS becomes simple: Error handling with PyLammps ---------------------------- -Compiling the shared library with C++ exception support provides a better error -handling experience. Without exceptions the LAMMPS code will terminate the -current Python process with an error message. C++ exceptions allow capturing -them on the C++ side and rethrowing them on the Python side. This way you -can handle LAMMPS errors through the Python exception handling mechanism. +Using C++ exceptions in LAMMPS for errors allows capturing them on the +C++ side and rethrowing them on the Python side. This way you can handle +LAMMPS errors through the Python exception handling mechanism. .. warning:: Capturing a LAMMPS exception in Python can still mean that the - current LAMMPS process is in an illegal state and must be terminated. It is - advised to save your data and terminate the Python instance as quickly as - possible. + current LAMMPS process is in an illegal state and must be + terminated. It is advised to save your data and terminate the Python + instance as quickly as possible. Using PyLammps in IPython notebooks and Jupyter ----------------------------------------------- diff --git a/doc/src/Install_mac.rst b/doc/src/Install_mac.rst index 880ddca7a2..452a8fd460 100644 --- a/doc/src/Install_mac.rst +++ b/doc/src/Install_mac.rst @@ -5,7 +5,7 @@ LAMMPS can be downloaded, built, and configured for macOS with `Homebrew `_. (Alternatively, see the installation instructions for :doc:`downloading an executable via Conda `.) The following LAMMPS packages are unavailable at this time because of -additional requirements not yet met: GPU, KOKKOS, MSCG, MPIIO, POEMS, +additional requirements not yet met: GPU, KOKKOS, MSCG, POEMS, VORONOI. After installing Homebrew, you can install LAMMPS on your system with diff --git a/doc/src/Install_windows.rst b/doc/src/Install_windows.rst index fdfd406c8b..9c867aeb43 100644 --- a/doc/src/Install_windows.rst +++ b/doc/src/Install_windows.rst @@ -18,11 +18,10 @@ needed to run in parallel with MPI. The LAMMPS binaries contain *all* :doc:`optional packages ` included in the source distribution except: ADIOS, H5MD, KIM, ML-PACE, -ML-QUIP, MSCG, NETCDF, PLUMED, QMMM, SCAFACOS, and VTK. The serial -version also does not include the MPIIO and LATBOLTZ packages. The -PYTHON package is only available in the Python installers that bundle a -Python runtime. The GPU package is compiled for OpenCL with mixed -precision kernels. +ML-QUIP, MSCG, NETCDF, QMMM, SCAFACOS, and VTK. The serial version also +does not include the LATBOLTZ package. The PYTHON package is only +available in the Python installers that bundle a Python runtime. The +GPU package is compiled for OpenCL with mixed precision kernels. The LAMMPS library is compiled as a shared library and the :doc:`LAMMPS Python module ` is installed, so that diff --git a/doc/src/Intro_portability.rst b/doc/src/Intro_portability.rst index 239eacd1b7..472a2bee88 100644 --- a/doc/src/Intro_portability.rst +++ b/doc/src/Intro_portability.rst @@ -12,7 +12,7 @@ Programming language standards ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Most of the C++ code currently requires a compiler compatible with the -C++11 standard, the KOKKOS package currently requires C++14. Most of +C++11 standard, the KOKKOS package currently requires C++17. Most of the Python code is written to be compatible with Python 3.5 or later or Python 2.7. Some Python scripts *require* Python 3 and a few others still need to be ported from Python 2 to Python 3. @@ -25,7 +25,7 @@ LAMMPS can be compiled from source code using a (traditional) build system based on shell scripts, a few shell utilities (grep, sed, cat, tr) and the GNU make program. This requires running within a Bourne shell (``/bin/sh``). Alternatively, a build system with different back ends -can be created using CMake. CMake must be at least version 3.10. +can be created using CMake. CMake must be at least version 3.16. Operating systems ^^^^^^^^^^^^^^^^^ @@ -62,9 +62,9 @@ regularly tested. Portability compliance ^^^^^^^^^^^^^^^^^^^^^^ -Only a subset of the LAMMPS source code is fully compliant to all of the -above mentioned standards. This is rather typical for projects like -LAMMPS that largely depend on contributions from the user community. +Only a subset of the LAMMPS source code is *fully* compliant to *all* +of the above mentioned standards. This is rather typical for projects +like LAMMPS that largely depend on contributions from the user community. Not all contributors are trained as programmers and not all of them have access to multiple platforms for testing. 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Typically, that would only be the - header for the base class. Instead, any include statements should - be put in the corresponding implementation files and forward - declarations be used. For implementation files, the "include what - you use" principle should be employed. However, there is the - notable exception that when the ``pointers.h`` header is included - (or one of the base classes derived from it) certain headers will - always be included and thus do not need to be explicitly specified. - These are: `mpi.h`, `cstddef`, `cstdio`, `cstdlib`, `string`, - `utils.h`, `vector`, `fmt/format.h`, `climits`, `cinttypes`. This - also means any such file can assume that `FILE`, `NULL`, and - `INT_MAX` are defined. +- Header files, especially those defining a "style", should only use the + absolute minimum number of include files and **must not** contain any + ``using`` statements. Typically, that would only be the header for the + base class. Instead, any include statements should be put in the + corresponding implementation files and forward declarations be used. + For implementation files, the "include what you use" principle should + be employed. However, there is the notable exception that when the + ``pointers.h`` header is included (or the header of one of the classes + derived from it), certain headers will *always* be included and thus + do not need to be explicitly specified. These are: `mpi.h`, + `cstddef`, `cstdio`, `cstdlib`, `string`, `utils.h`, `vector`, + `fmt/format.h`, `climits`, `cinttypes`. This also means any such file + can assume that `FILE`, `NULL`, and `INT_MAX` are defined. + +- Class members variables should not be initialized in the header file, + but instead should be initialized either in the initializer list of + the constructor or explicitly assigned in the body of the constructor. + If the member variable is relevant to the functionality of a class + (for example when it stores a value from a command line argument), the + member variable declaration is followed by a brief comment explaining + its purpose and what its values can be. Class members that are + pointers should always be initialized to ``nullptr`` in the + initializer list of the constructor. This reduces clutter in the + header and avoids accessing uninitialized pointers, which leads to + hard to debug issues, class members are often implicitly initialized + to ``NULL`` on the first use (but *not* after a :doc:`clear command + `). Please see the files ``reset_atoms_mol.h`` and + ``reset_atoms_mol.cpp`` as an example. - System headers or headers from installed libraries are included with angular brackets (example: ``#include ``), while local diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index d397638e59..12aa8eeb52 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -87,8 +87,6 @@ page gives those details. * :ref:`MOFFF ` * :ref:`MOLECULE ` * :ref:`MOLFILE ` - * :ref:`MPIIO ` - * :ref:`MSCG ` * :ref:`NETCDF ` * :ref:`OPENMP ` * :ref:`OPT ` @@ -1257,7 +1255,7 @@ Also see the :ref:`GPU `, :ref:`OPT `, :ref:`INTEL `, and :ref:`OPENMP ` packages, which have styles optimized for CPUs, KNLs, and GPUs. -You must have a C++14 compatible compiler to use this package. +You must have a C++17 compatible compiler to use this package. KOKKOS makes extensive use of advanced C++ features, which can expose compiler bugs, especially when compiling for maximum performance at high optimization levels. Please see the file @@ -2034,70 +2032,6 @@ This package has :ref:`specific installation instructions ` on the :doc ---------- -.. _PKG-MPIIO: - -MPIIO package -------------- - -**Contents:** - -Support for parallel output/input of dump and restart files via the -MPIIO library. It adds :doc:`dump styles ` with a "mpiio" in -their style name. Restart files with an ".mpiio" suffix are also -written and read in parallel. - -.. warning:: - - The MPIIO package is currently unmaintained and has become - unreliable. Use with caution. - - -**Install:** - -The MPIIO package requires that LAMMPS is build in :ref:`MPI parallel mode `. - -**Supporting info:** - -* src/MPIIO: filenames -> commands -* :doc:`dump ` -* :doc:`restart ` -* :doc:`write_restart ` -* :doc:`read_restart ` - ----------- - -.. _PKG-MSCG: - -MSCG package ------------- - -**Contents:** - -A :doc:`fix mscg ` command which can parameterize a -Multi-Scale Coarse-Graining (MSCG) model using the open-source `MS-CG library `_. - -.. _mscg-home: https://github.com/uchicago-voth/MSCG-release - -To use this package you must have the MS-CG library available on your -system. - -**Authors:** The fix was written by Lauren Abbott (Sandia). The MS-CG -library was developed by Jacob Wagner in Greg Voth's group at the -University of Chicago. - -**Install:** - -This package has :ref:`specific installation instructions ` on the :doc:`Build extras ` page. - -**Supporting info:** - -* src/MSCG: filenames -> commands -* src/MSCG/README -* lib/mscg/README -* examples/mscg - ----------- - .. _PKG-NETCDF: NETCDF package diff --git a/doc/src/Packages_list.rst b/doc/src/Packages_list.rst index 77812a236a..c0a1164513 100644 --- a/doc/src/Packages_list.rst +++ b/doc/src/Packages_list.rst @@ -333,16 +333,6 @@ whether an extra library is needed to build and use the package: - :doc:`dump molfile ` - n/a - ext - * - :ref:`MPIIO ` - - MPI parallel I/O dump and restart - - :doc:`dump ` - - n/a - - no - * - :ref:`MSCG ` - - multi-scale coarse-graining wrapper - - :doc:`fix mscg ` - - mscg - - ext * - :ref:`NETCDF ` - dump output via NetCDF - :doc:`dump netcdf ` diff --git a/doc/src/Python_error.rst b/doc/src/Python_error.rst index 5dbd940723..f6a94c0e82 100644 --- a/doc/src/Python_error.rst +++ b/doc/src/Python_error.rst @@ -1,11 +1,11 @@ Handling LAMMPS errors -******************************* +********************** -Compiling the shared library with :ref:`C++ exception support ` provides a better error -handling experience. Without exceptions the LAMMPS code will terminate the -current Python process with an error message. C++ exceptions allow capturing -them on the C++ side and rethrowing them on the Python side. This way -LAMMPS errors can be handled through the Python exception handling mechanism. +The shared library is compiled with :ref:`C++ exception support +` to provide a better error handling experience. C++ +exceptions allow capturing errors on the C++ side and rethrowing them on +the Python side. This way LAMMPS errors can be handled through the +Python exception handling mechanism. .. code-block:: python @@ -31,6 +31,6 @@ LAMMPS errors can be handled through the Python exception handling mechanism. .. warning:: Capturing a LAMMPS exception in Python can still mean that the - current LAMMPS process is in an illegal state and must be terminated. It is - advised to save your data and terminate the Python instance as quickly as - possible. + current LAMMPS process is in an illegal state and must be + terminated. It is advised to save your data and terminate the Python + instance as quickly as possible when running in parallel with MPI. diff --git a/doc/src/Speed_kokkos.rst b/doc/src/Speed_kokkos.rst index 8161e69a1c..1cae518f96 100644 --- a/doc/src/Speed_kokkos.rst +++ b/doc/src/Speed_kokkos.rst @@ -18,7 +18,7 @@ package was developed primarily by Christian Trott (Sandia) and Stan Moore (Sandia) with contributions of various styles by others, including Sikandar Mashayak (UIUC), Ray Shan (Sandia), and Dan Ibanez (Sandia). For more information on developing using Kokkos abstractions -see the Kokkos `Wiki `_. +see the `Kokkos Wiki `_. Kokkos currently provides support for 4 modes of execution (per MPI task). These are Serial (MPI-only for CPUs and Intel Phi), OpenMP @@ -26,23 +26,30 @@ task). These are Serial (MPI-only for CPUs and Intel Phi), OpenMP GPUs) and HIP (for AMD GPUs). You choose the mode at build time to produce an executable compatible with a specific hardware. -.. admonition:: C++14 support +.. admonition:: C++17 support :class: note - Kokkos requires using a compiler that supports the c++14 standard. For - some compilers, it may be necessary to add a flag to enable c++14 support. - For example, the GNU compiler uses the -std=c++14 flag. For a list of - compilers that have been tested with the Kokkos library, see the Kokkos - `README `_. + Kokkos requires using a compiler that supports the c++17 standard. For + some compilers, it may be necessary to add a flag to enable c++17 support. + For example, the GNU compiler uses the -std=c++17 flag. For a list of + compilers that have been tested with the Kokkos library, see the + `requirements document of the Kokkos Wiki + `_. .. admonition:: NVIDIA CUDA support :class: note To build with Kokkos support for NVIDIA GPUs, the NVIDIA CUDA toolkit - software version 9.0 or later must be installed on your system. See + software version 11.0 or later must be installed on your system. See the discussion for the :doc:`GPU package ` for details of how to check and do this. +.. admonition:: AMD ROCm (HIP) support + :class: note + + To build with Kokkos support for AMD GPUs, the AMD ROCm toolkit + software version 5.2.0 or later must be installed on your system. + .. admonition:: CUDA and MPI library compatibility :class: note diff --git a/doc/src/Tools.rst b/doc/src/Tools.rst index bccb9abe73..160d04246b 100644 --- a/doc/src/Tools.rst +++ b/doc/src/Tools.rst @@ -93,6 +93,7 @@ Miscellaneous tools * :ref:`i-pi ` * :ref:`kate ` * :ref:`LAMMPS shell ` + * :ref:`LAMMPS GUI ` * :ref:`LAMMPS magic patterns for file(1) ` * :ref:`Offline build tool ` * :ref:`singularity/apptainer ` @@ -634,6 +635,195 @@ you first need to use the :doc:`clear` command. ---------- +.. _lammps_gui: + +LAMMPS GUI +---------- + +.. versionadded:: 2Aug2023 + +Overview +^^^^^^^^ + +LAMMPS GUI is a simple graphical text editor that is linked to the +:ref:`LAMMPS C-library interface ` and thus can run LAMMPS +directly using the contents of the editor's text buffer as input. + +This is similar to what people traditionally would do to run LAMMPS: +using a regular text editor to edit the input and run the necessary +commands, possibly including the text editor, too, from a command line +terminal window. This similarity is a design goal. While making it easy +for beginners to start with LAMMPS, it is also the intention to simplify +the transition to workflows like most experienced LAMMPS users do. + +All features have been extensively exposed to hotkeys, so that there is +also appeal for experienced LAMMPS users, too, especially for +prototyping and testing simulations setups. + +Features +^^^^^^^^ + +A detailed discussion and explanation of all features and functionality +are in the :doc:`Howto_lammps_gui` tutorial Howto page. + +Here are a few highlights of LAMMPS GUI + +- Text editor with syntax highlighting customized for LAMMPS +- Text editor will switch working directory to folder of file in buffer +- Text editor will remember up to 5 recent files +- Context specific LAMMPS command help via online documentation +- LAMMPS is running in a concurrent thread, so the GUI remains responsive +- Support for accelerator packages +- Progress bar indicates that LAMMPS is running +- LAMMPS can be started and stopped with a hotkey +- Screen output is captured in a Log Window +- Thermodynamic output is captured and displayed as line graph in a Chart Window +- Visualization of current state in Image Viewer (via :doc:`dump image `) +- Many adjustable settings and preferences that are persistent +- Dialog to set variables from the LAMMPS command line + +Parallelization +^^^^^^^^^^^^^^^ + +Due to its nature as a graphical application, it is not possible to use +the LAMMPS GUI in parallel with MPI, but OpenMP multi-threading and GPU +acceleration is available and enabled by default. + +Prerequisites and portability +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +LAMMPS GUI is programmed in C++ based on the C++11 standard and using +the `Qt GUI framework `_. +Currently, Qt version 5.12 or later is required; Qt 5.15LTS is +recommended; Qt 6.x not (yet) supported. Building LAMMPS with CMake is +required. The LAMMPS GUI has been successfully compiled and tested on: + +- Ubuntu Linux 20.04LTS x86_64 using GCC 9, Qt version 5.12 +- Fedora Linux 38 x86\_64 using GCC 13 and Clang 16, Qt version 5.15LTS +- Apple macOS 12 (Monterey) and macOS 13 (Ventura) with Xcode on arm64 and x86\_64, Qt version 5.15LTS +- Windows 10 and 11 x86_64 with Visual Studio 2022 and Visual C++ 14.36, Qt version 5.15LTS +- Windows 10 and 11 x86_64 with MinGW / GCC 10.0 cross-compiler on Fedora 38, Qt version 5.15LTS + +Pre-compiled executables +^^^^^^^^^^^^^^^^^^^^^^^^ + +Pre-compiled LAMMPS executables including the GUI are currently +available from https://download.lammps.org/static or +https://github.com/lammps/lammps/releases. You can unpack the archives +(or mount the macOS disk image) and run the GUI directly in place. The +folder may also be moved around and added to the ``PATH`` environment +variable so the executables will be found automatically. The LAMMPS GUI +executable is called ``lammps-gui`` and either takes no arguments or +attempts to load the first argument as LAMMPS input file. + +Compilation +^^^^^^^^^^^ + +The source for the LAMMPS GUI is included with the LAMMPS source code +distribution in the folder ``tools/lammps-gui`` and thus it can be can +be built as part of a regular LAMMPS compilation. :doc:`Using CMake +` is required. To enable its compilation, the CMake +variable ``-D BUILD_LAMMPS_GUI=on`` must be set when creating the CMake +configuration. All other settings (compiler, flags, compile type) for +LAMMPS GUI are then inherited from the regular LAMMPS build. If the Qt +library is packaged for Linux distributions, then its location is +typically auto-detected since the required CMake configuration files are +stored in a location where CMake can find them without additional help. +Otherwise, the location of the Qt library installation must be indicated +by setting ``-D Qt5_DIR=/path/to/qt5/lib/cmake/Qt5``, which is a path to +a folder inside the Qt installation that contains the file +``Qt5Config.cmake``. + +It should be possible to build the LAMMPS GUI as a standalone +compilation (e.g. when LAMMPS has been compiled with traditional make), +then the CMake configuration needs to be told where to find the LAMMPS +headers and the LAMMPS library, via ``-D +LAMMPS_SOURCE_DIR=/path/to/lammps/src``. CMake will try to guess a +build folder with the LAMMPS library from that path, but it can also be +set with ``-D LAMMPS_LIB_DIR=/path/to/lammps/lib``. + +Rather than linking to the LAMMPS library during compilation, it is also +possible to compile the GUI with a plugin loader library that will load +the LAMMPS library dynamically at runtime during the start of the GUI +from a shared library; e.g. ``liblammps.so`` or ``liblammps.dylib`` or +``liblammps.dll`` (depending on the operating system). This has the +advantage that the LAMMPS library can be updated LAMMPS without having +to recompile the GUI. The ABI of the LAMMPS C-library interface is very +stable and generally backward compatible. This feature is enabled by +setting ``-D LAMMPS_GUI_USE_PLUGIN=on`` and then ``-D +LAMMPS_PLUGINLIB_DIR=/path/to/lammps/plugin/loader``. Typically, this +would be the ``examples/COUPLE/plugin`` folder of the LAMMPS +distribution. + +Platform notes +^^^^^^^^^^^^^^ + +macOS +""""" + +When building on macOS, the build procedure will try to manufacture a +drag-n-drop installer, LAMMPS-macOS-multiarch.dmg, when using the 'dmg' +target (i.e. ``cmake --build --target dmg`` or ``make dmg``. + +To build multi-arch executables that will run on both, arm64 and x86_64 +architectures natively, it is necessary to set the CMake variable ``-D +CMAKE_OSX_ARCHITECTURES=arm64;x86_64``. To achieve wide compatibility +with different macOS versions, you can also set ``-D +CMAKE_OSX_DEPLOYMENT_TARGET=11.0`` which will set compatibility to macOS +11 (Big Sur) and later, even if you are compiling on a more recent macOS +version. + +Windows +""""""" + +On Windows either native compilation from within Visual Studio 2022 with +Visual C++ is supported and tested, or compilation with the MinGW / GCC +cross-compiler environment on Fedora Linux. + +**Visual Studio** + +Using CMake and Ninja as build system are required. Qt needs to be +installed, tested was a binary package downloaded from +https://www.qt.io, which installs into the ``C:\\Qt`` folder by default. +There is a custom `x64-GUI-MSVC` build configuration provided in the +``CMakeSettings.json`` file that Visual Studio uses to store different +compilation settings for project. Choosing this configuration will +activate building the `lammps-gui.exe` executable in addition to LAMMPS +through importing package selection from the ``windows.cmake`` preset +file and enabling building the LAMMPS GUI and disabling building with MPI. +When requesting an installation from the `Build` menu in Visual Studio, +it will create a compressed ``LAMMPS-Win10-amd64.zip`` zip file with the +executables and required dependent .dll files. This zip file can be +uncompressed and ``lammps-gui.exe`` run directly from there. The +uncompressed folder can be added to the ``PATH`` environment and LAMMPS +and LAMMPS GUI can be launched from anywhere from the command line. + +**MinGW64 Cross-compiler** + +The standard CMake build procedure can be applied and the +``mingw-cross.cmake`` preset used. By using ``mingw64-cmake`` the CMake +command will automatically include a suitable CMake toolset file (the +regular cmake command can be used after that). After building the +libraries and executables, you can build the target 'zip' +(i.e. ``cmake --build --target zip`` or ``make zip`` +to stage all installed files into a LAMMPS_GUI folder and then +run a script to copy all required dependencies, some other files, +and create a zip file from it. + +Linux +""""" + +Version 5.12 or later of the Qt library is required. Those are provided +by, e.g., Ubuntu 20.04LTS. Thus older Linux distributions are not +likely to be supported, while more recent ones will work, even for +pre-compiled executables (see above). After compiling with +``cmake --build ``, use ``cmake --build --target tgz`` or ``make tgz`` to build a +``LAMMPS-Linux-amd64.tar.gz`` file with the executables and their +support libraries. + +---------- + .. _arc: lmp2arc tool diff --git a/doc/src/compute.rst b/doc/src/compute.rst index 4e5d8e6cb4..abc89fb663 100644 --- a/doc/src/compute.rst +++ b/doc/src/compute.rst @@ -245,6 +245,7 @@ The individual style names on the :doc:`Commands compute ` pag * :doc:`ke/atom/eff ` - per-atom translational and radial kinetic energy in the electron force field model * :doc:`ke/eff ` - kinetic energy of a group of nuclei and electrons in the electron force field model * :doc:`ke/rigid ` - translational kinetic energy of rigid bodies +* :doc:`composition/atom ` - local composition for each atom * :doc:`mliap ` - gradients of energy and forces with respect to model parameters and related quantities for training machine learning interatomic potentials * :doc:`momentum ` - translational momentum * :doc:`msd ` - mean-squared displacement of group of atoms diff --git a/doc/src/compute_composition_atom.rst b/doc/src/compute_composition_atom.rst new file mode 100644 index 0000000000..b7890fff8b --- /dev/null +++ b/doc/src/compute_composition_atom.rst @@ -0,0 +1,118 @@ +.. index:: compute composition/atom +.. index:: compute composition/atom/kk + +compute composition/atom command +================================ + +Accelerator Variants: *composition/atom/kk* + +Syntax +"""""" + +.. code-block:: LAMMPS + + compute ID group-ID composition/atom keyword values ... + +* ID, group-ID are documented in :doc:`compute ` command +* composition/atom = style name of this compute command +* one or more keyword/value pairs may be appended + + .. parsed-literal:: + + keyword = *cutoff* + *cutoff* value = distance cutoff + +Examples +"""""""" + +.. code-block:: LAMMPS + + compute 1 all composition/atom + + compute 1 all composition/atom cutoff 9.0 + comm_modify cutoff 9.0 + + +Description +""""""""""" + +.. versionadded:: TBD + +Define a computation that calculates a local composition vector for each +atom. For a central atom with :math:`M` neighbors within the neighbor cutoff sphere, +composition is defined as the number of atoms of a given type +(including the central atom) divided by (:math:`M+1`). For a given central atom, +the sum of all compositions equals one. + +.. note:: + + This compute uses the number of atom types, not chemical species, assigned in + :doc:`pair_coeff ` command. If an interatomic potential has two + species (i.e., Cu and Ni) assigned to four different atom types in + :doc:`pair_coeff ` (i.e., 'Cu Cu Ni Ni'), the compute will + output four fractional values. In those cases, the user may desire an extra + calculation step to consolidate per-type fractions into per-species fractions. + This calculation can be conducted within LAMMPS using another compute such as + :doc:`compute reduce `, an atom-style :doc:`variable`, or as a + post-processing step. + +---------- + +The optional keyword *cutoff* defines the distance cutoff used when +searching for neighbors. The default value is the cutoff specified by +the pair style. If no pair style is defined, then a cutoff must be +defined using this keyword. If the specified cutoff is larger than +that of the pair_style plus neighbor skin (or no pair style is +defined), the *comm_modify cutoff* option must also be set to match +that of the *cutoff* keyword. + +The neighbor list needed to compute this quantity is constructed each +time the calculation is performed (i.e. each time a snapshot of atoms +is dumped). Thus it can be inefficient to compute/dump this quantity +too frequently. + +.. note:: + + If you have a bonded system, then the settings of + :doc:`special_bonds ` command can remove pairwise + interactions between atoms in the same bond, angle, or dihedral. + This is the default setting for the :doc:`special_bonds + ` command, and means those pairwise interactions do + not appear in the neighbor list. Because this compute uses the + neighbor list, it also means those pairs will not be included in + the order parameter. This difficulty can be circumvented by + writing a dump file, and using the :doc:`rerun ` command to + compute the order parameter for snapshots in the dump file. The + rerun script can use a :doc:`special_bonds ` command + that includes all pairs in the neighbor list. + +---------- + +Output info +""""""""""" + +This compute calculates a per-atom array with :math:`1 + N` columns, where :math:`N` +is the number of atom types. The first column is a count of the number of atoms +used to calculate composition (including the central atom), and each subsequent +column indicates the fraction of that atom type within the cutoff sphere. + +These values can be accessed by any command that uses per-atom values +from a compute as input. See the :doc:`Howto output ` +doc page for an overview of LAMMPS output options. + +Restrictions +"""""""""""" + +This compute is part of the EXTRA-COMPUTE package. It is only enabled +if LAMMPS was built with that package. See the :doc:`Build package +` page for more info. + +Related commands +"""""""""""""""" + +:doc:`comm_modify ` + +Default +""""""" + +The option defaults are *cutoff* = pair style cutoff. diff --git a/doc/src/compute_property_grid.rst b/doc/src/compute_property_grid.rst index 44389320d6..20a4f19605 100644 --- a/doc/src/compute_property_grid.rst +++ b/doc/src/compute_property_grid.rst @@ -19,6 +19,7 @@ Syntax attributes = id, ix, iy, iz, x, y, z, xs, ys, zs, xc, yc, zc, xsc, ysc, zsc id = ID of grid cell, x fastest, y next, z slowest + proc = processor ID (0 to Nprocs-1) which owns the grid cell ix,iy,iz = grid indices in each dimension (1 to N inclusive) x,y,z = coords of lower left corner of grid cell xs,ys,zs = scaled coords of lower left corner of grid cell (0.0 to 1.0) @@ -30,8 +31,8 @@ Examples .. code-block:: LAMMPS - compute 1 all property/grid id ix iy iz - compute 1 all property/grid id xc yc zc + compute 1 all property/grid 10 10 20 id ix iy iz + compute 1 all property/grid 100 100 1 id xc yc zc Description """"""""""" @@ -53,13 +54,20 @@ to output per-grid values from other computes of fixes, the grid size specified for this command must be consistent with the grid sizes used by the other commands. -The *id* attribute stores the grid ID for each grid cell. For a -global grid of size Nx by Ny by Nz (in 3d simulations) the grid IDs -range from 1 to Nx*Ny*Nz. They are ordered with the X index of the 3d -grid varying fastest, then Y, then Z slowest. For 2d grids (in 2d +The *id* attribute is the grid ID for each grid cell. For a global +grid of size Nx by Ny by Nz (in 3d simulations) the grid IDs range +from 1 to Nx*Ny*Nz. They are ordered with the X index of the 3d grid +varying fastest, then Y, then Z slowest. For 2d grids (in 2d simulations), the grid IDs range from 1 to Nx*Ny, with X varying fastest and Y slowest. +.. versionadded:: TBD + +The *proc* attribute is the ID of the processor which owns the grid +cell. Processor IDs range from 0 to Nprocs - 1, where Nprocs is the +number of processors the simulation is running on. Each grid cell is +owned by a single processor. + The *ix*, *iy*, *iz* attributes are the indices of a grid cell in each dimension. They range from 1 to Nx inclusive in the X dimension, and similar for Y and Z. diff --git a/doc/src/dump.rst b/doc/src/dump.rst index 0b19f0e9b6..e5885dc25d 100644 --- a/doc/src/dump.rst +++ b/doc/src/dump.rst @@ -14,10 +14,6 @@ .. index:: dump custom/gz .. index:: dump local/gz .. index:: dump xyz/gz -.. index:: dump atom/mpiio -.. index:: dump cfg/mpiio -.. index:: dump custom/mpiio -.. index:: dump xyz/mpiio .. index:: dump atom/zstd .. index:: dump cfg/zstd .. index:: dump custom/zstd @@ -63,7 +59,7 @@ Syntax * ID = user-assigned name for the dump * group-ID = ID of the group of atoms to be dumped -* style = *atom* or *atom/adios* or *atom/gz* or *atom/zstd* or *atom/mpiio* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/mpiio* or *cfg/uef* or *custom* or *custom/gz* or *custom/zstd* or *custom/mpiio* or *custom/adios* or *dcd* or *grid* or *grid/vtk* or *h5md* or *image* or *local* or *local/gz* or *local/zstd* or *molfile* or *movie* or *netcdf* or *netcdf/mpiio* or *vtk* or *xtc* or *xyz* or *xyz/gz* or *xyz/zstd* or *xyz/mpiio* or *yaml* +* style = *atom* or *atom/adios* or *atom/gz* or *atom/zstd* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/uef* or *custom* or *custom/gz* or *custom/zstd* or *custom/adios* or *dcd* or *grid* or *grid/vtk* or *h5md* or *image* or *local* or *local/gz* or *local/zstd* or *molfile* or *movie* or *netcdf* or *netcdf/mpiio* or *vtk* or *xtc* or *xyz* or *xyz/gz* or *xyz/zstd* or *yaml* * N = dump on timesteps which are multiples of N * file = name of file to write dump info to * attribute1,attribute2,... = list of attributes for a particular style @@ -74,13 +70,11 @@ Syntax *atom/adios* attributes = none, discussed on :doc:`dump atom/adios ` page *atom/gz* attributes = none *atom/zstd* attributes = none - *atom/mpiio* attributes = none *cfg* attributes = same as *custom* attributes, see below *cfg/gz* attributes = same as *custom* attributes, see below *cfg/zstd* attributes = same as *custom* attributes, see below - *cfg/mpiio* attributes = same as *custom* attributes, see below *cfg/uef* attributes = same as *custom* attributes, discussed on :doc:`dump cfg/uef ` page - *custom*, *custom/gz*, *custom/zstd*, *custom/mpiio* attributes = see below + *custom*, *custom/gz*, *custom/zstd* attributes = see below *custom/adios* attributes = same as *custom* attributes, discussed on :doc:`dump custom/adios ` page *dcd* attributes = none *h5md* attributes = discussed on :doc:`dump h5md ` page @@ -97,10 +91,9 @@ Syntax *xyz* attributes = none *xyz/gz* attributes = none *xyz/zstd* attributes = none - *xyz/mpiio* attributes = none *yaml* attributes = same as *custom* attributes, see below -* *custom* or *custom/gz* or *custom/zstd* or *custom/mpiio* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/mpiio* or *cfg/uef* or *netcdf* or *netcdf/mpiio* or *yaml* attributes: +* *custom* or *custom/gz* or *custom/zstd* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/uef* or *netcdf* or *netcdf/mpiio* or *yaml* attributes: .. parsed-literal:: @@ -179,11 +172,9 @@ Examples .. code-block:: LAMMPS dump myDump all atom 100 dump.lammpstrj - dump myDump all atom/mpiio 100 dump.atom.mpiio dump myDump all atom/gz 100 dump.atom.gz dump myDump all atom/zstd 100 dump.atom.zst dump 2 subgroup atom 50 dump.run.bin - dump 2 subgroup atom/mpiio 50 dump.run.mpiio.bin dump 4a all custom 100 dump.myforce.* id type x y vx fx dump 4a all custom 100 dump.myvel.lammpsbin id type x y z vx vy vz dump 4b flow custom 100 dump.%.myforce id type c_myF[3] v_ke @@ -622,27 +613,10 @@ when running on large numbers of processors. Note that using the "\*" and "%" characters together can produce a large number of small dump files! -For styles that end with *mpiio* an ".mpiio" must appear somewhere in -the specified filename. These styles write their dump file in -parallel via the MPI-IO library, which is part of the MPI standard for -versions 2.0 and above. Note these styles are identical in command -syntax to the corresponding styles without "mpiio". Likewise, the -dump files produced by these MPI-IO styles are identical in format to -the files produced by their non-MPI-IO style counterparts. This means -you can write a dump file using MPI-IO and use the :doc:`read_dump -` command or perform other post-processing, just as if the -dump file was not written using MPI-IO. +.. deprecated:: TBD -Because MPI-IO dump files are one large file which all processors -write to, you cannot use the "%" wildcard character described above in -the filename. However you can use the ".bin" or ".lammpsbin" suffix -described below. Again, this file will be written in parallel and -have the same binary format as if it were written without MPI-IO. - -.. warning:: - - The MPIIO package within LAMMPS is currently unmaintained and has - become unreliable. Use with caution. +The MPIIO package and the the corresponding "/mpiio" dump styles, except +for the unrelated "netcdf/mpiio" style were removed from LAMMPS. ---------- @@ -956,11 +930,6 @@ the COMPRESS package. They are only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. -The *atom/mpiio*, *cfg/mpiio*, *custom/mpiio*, and *xyz/mpiio* styles -are part of the MPIIO package. They are only enabled if LAMMPS was -built with that package. See the :doc:`Build package ` -page for more info. - The *xtc*, *dcd*, and *yaml* styles are part of the EXTRA-DUMP package. They are only enabled if LAMMPS was built with that package. See the :doc:`Build package ` page for more info. @@ -971,6 +940,7 @@ Related commands :doc:`dump atom/adios `, :doc:`dump custom/adios `, :doc:`dump cfg/uef `, :doc:`dump h5md `, :doc:`dump image `, :doc:`dump molfile `, +:doc:`dump netcdf `, :doc:`dump netcdf/mpiio `, :doc:`dump_modify `, :doc:`undump `, :doc:`write_dump ` diff --git a/doc/src/dump_image.rst b/doc/src/dump_image.rst index 25d1efff7d..4e227d2f72 100644 --- a/doc/src/dump_image.rst +++ b/doc/src/dump_image.rst @@ -24,7 +24,7 @@ Syntax * color = atom attribute that determines color of each atom * diameter = atom attribute that determines size of each atom * zero or more keyword/value pairs may be appended -* keyword = *atom* or *adiam* or *bond* or *grid* or *line* or *tri* or *body* or *fix* or *size* or *view* or *center* or *up* or *zoom* or *box* or *axes* or *subbox* or *shiny* or *ssao* +* keyword = *atom* or *adiam* or *bond* or *grid* or *line* or *tri* or *body* or *fix* or *size* or *view* or *center* or *up* or *zoom* or *box* or *axes* or *subbox* or *shiny* or *fsaa* or *ssao* .. parsed-literal:: @@ -85,6 +85,8 @@ Syntax diam = diameter of subdomain lines as fraction of shortest box length *shiny* value = sfactor = shinyness of spheres and cylinders sfactor = shinyness of spheres and cylinders from 0.0 to 1.0 + *fsaa* arg = yes/no + yes/no = do or do not apply anti-aliasing *ssao* value = shading seed dfactor = SSAO depth shading shading = *yes* or *no* = turn depth shading on/off seed = random # seed (positive integer) @@ -227,7 +229,7 @@ details have to be looked up in the `FFmpeg documentation described below. To write out JPEG and PNG format files, you must build LAMMPS with -support for the corresponding JPEG or PNG library. To convert images +support for the corresponding JPEG or PNG library. To convert images into movies, LAMMPS has to be compiled with the -DLAMMPS_FFMPEG flag. See the :doc:`Build settings ` page for details. @@ -597,13 +599,47 @@ image will appear. The *sfactor* value must be a value 0.0 <= *sfactor* <= 1.0, where *sfactor* = 1 is a highly reflective surface and *sfactor* = 0 is a rough non-shiny surface. -The *ssao* keyword turns on/off a screen space ambient occlusion -(SSAO) model for depth shading. If *yes* is set, then atoms further -away from the viewer are darkened via a randomized process, which is -perceived as depth. The calculation of this effect can increase the -cost of computing the image by roughly 2x. The strength of the effect -can be scaled by the *dfactor* parameter. If *no* is set, no depth -shading is performed. +.. versionadded:: TBD + +The *fsaa* keyword can be used with the dump image command to improve +the image quality by enabling full scene anti-aliasing. Internally the +image is rendered at twice the width and height and then scaled down by +computing the average of each 2x2 block of pixels to produce a single +pixel in the final image at the original size. This produces images with +smoother, less ragged edges. The application of this algorithm can +increase the cost of computing the image by about 3x or more. + +The *ssao* keyword turns on/off a screen space ambient occlusion (SSAO) +model for depth shading. If *yes* is set, then atoms further away from +the viewer are darkened via a randomized process, which is perceived as +depth. The strength of the effect can be scaled by the *dfactor* +parameter. If *no* is set, no depth shading is performed. The +calculation of this effect can increase the cost of computing the image +substantially by 5x or more, especially with larger images. When used +in combination with the *fsaa* keyword the computational cost of depth +shading is particularly large. + +---------- + +Image Quality Settings +"""""""""""""""""""""" + +The two keywords *fsaa* and *ssao* can be used to improve the image +quality at the expense of additional computational cost to render the +images. The images below show from left to right the same render with +default settings, with *fsaa* added, with *ssao* added, and with both +keywords added. + +.. |imagequality1| image:: JPG/image.default.png + :width: 24% +.. |imagequality2| image:: JPG/image.fsaa.png + :width: 24% +.. |imagequality3| image:: JPG/image.ssao.png + :width: 24% +.. |imagequality4| image:: JPG/image.both.png + :width: 24% + +|imagequality1| |imagequality2| |imagequality3| |imagequality4| ---------- @@ -1051,6 +1087,7 @@ The defaults for the dump_modify keywords specific to dump image and dump movie * boxcolor = yellow * color = 140 color names are pre-defined as listed below * framerate = 24 +* fsaa = no * gmap = min max cf 0.0 2 min blue max red ---------- diff --git a/doc/src/dump_modify.rst b/doc/src/dump_modify.rst index 0ac2afbeee..2d84f28836 100644 --- a/doc/src/dump_modify.rst +++ b/doc/src/dump_modify.rst @@ -124,17 +124,6 @@ Description Modify the parameters of a previously defined dump command. Not all parameters are relevant to all dump styles. -As explained on the :doc:`dump ` doc page, the *atom/mpiio*, -*custom/mpiio*, and *xyz/mpiio* dump styles are identical in command -syntax and in the format of the dump files they create, to the -corresponding styles without "mpiio", except the single dump file they -produce is written in parallel via the MPI-IO library. Thus if a -dump_modify option below is valid for the *atom* style, it is also -valid for the *atom/mpiio* style, and similarly for the other styles -which allow for use of MPI-IO. - ----------- - Unless otherwise noted, the following keywords apply to all the various dump styles, including the :doc:`dump image ` and :doc:`dump movie ` styles. @@ -181,19 +170,20 @@ extra buffering. .. versionadded:: 4May2022 The *colname* keyword can be used to change the default header keyword -for dump styles: *atom*, *custom*, *cfg*, and *local* and their compressed, -ADIOS, and MPIIO variants. The setting for *ID string* replaces the default -text with the provided string. *ID* can be a positive integer when it -represents the column number counting from the left, a negative integer -when it represents the column number from the right (i.e. -1 is the last -column/keyword), or a custom dump keyword (or compute, fix, property, or -variable reference) and then it replaces the string for that specific -keyword. For *atom* dump styles only the keywords "id", "type", "x", -"y", "z", "ix", "iy", "iz" can be accessed via string regardless of -whether scaled or unwrapped coordinates were enabled or disabled, and -it always assumes 8 columns for indexing regardless of whether image -flags are enabled or not. For dump style *cfg* only changes to the -"auxiliary" keywords (6th or later keyword) will become visible. +for dump styles: *atom*, *custom*, *cfg*, and *local* and their +compressed, ADIOS variants. The setting for *ID string* replaces the +default text with the provided string. *ID* can be a positive integer +when it represents the column number counting from the left, a negative +integer when it represents the column number from the right (i.e. -1 is +the last column/keyword), or a custom dump keyword (or compute, fix, +property, or variable reference) and then it replaces the string for +that specific keyword. For *atom* dump styles only the keywords "id", +"type", "x", "y", "z", "ix", "iy", "iz" can be accessed via string +regardless of whether scaled or unwrapped coordinates were enabled or +disabled, and it always assumes 8 columns for indexing regardless of +whether image flags are enabled or not. For dump style *cfg* only +changes to the "auxiliary" keywords (6th or later keyword) will become +visible. The *colname* keyword can be used multiple times. If multiple *colname* settings refer to the same keyword, the last setting has precedence. A @@ -417,10 +407,10 @@ performed with dump style *xtc*\ . ---------- -The *format* keyword can be used to change the default numeric format output -by the text-based dump styles: *atom*, *local*, *custom*, *cfg*, and -*xyz* styles, and their MPIIO variants. Only the *line* or *none* -options can be used with the *atom* and *xyz* styles. +The *format* keyword can be used to change the default numeric format +output by the text-based dump styles: *atom*, *local*, *custom*, *cfg*, +and *xyz* styles. Only the *line* or *none* options can be used with the +*atom* and *xyz* styles. All the specified format strings are C-style formats, such as used by the C/C++ printf() command. The *line* keyword takes a single diff --git a/doc/src/fix.rst b/doc/src/fix.rst index cdf6be866b..09fc05d500 100644 --- a/doc/src/fix.rst +++ b/doc/src/fix.rst @@ -268,7 +268,6 @@ accelerated styles exist. * :doc:`momentum ` - zero the linear and/or angular momentum of a group of atoms * :doc:`momentum/chunk ` - zero the linear and/or angular momentum of a chunk of atoms * :doc:`move ` - move atoms in a prescribed fashion -* :doc:`mscg ` - apply MSCG method for force-matching to generate coarse grain models * :doc:`msst ` - multi-scale shock technique (MSST) integration * :doc:`mvv/dpd ` - DPD using the modified velocity-Verlet integration algorithm * :doc:`mvv/edpd ` - constant energy DPD using the modified velocity-Verlet algorithm diff --git a/doc/src/fix_mscg.rst b/doc/src/fix_mscg.rst deleted file mode 100644 index 91eb0fe772..0000000000 --- a/doc/src/fix_mscg.rst +++ /dev/null @@ -1,141 +0,0 @@ -.. index:: fix mscg - -fix mscg command -================ - -Syntax -"""""" - -.. code-block:: LAMMPS - - fix ID group-ID mscg N keyword args ... - -* ID, group-ID are documented in :doc:`fix ` command -* mscg = style name of this fix command -* N = envoke this fix every this many timesteps -* zero or more keyword/value pairs may be appended -* keyword = *range* or *name* or *max* - - .. parsed-literal:: - - *range* arg = *on* or *off* - *on* = range finding functionality is performed - *off* = force matching functionality is performed - *name* args = name1 ... nameN - name1,...,nameN = string names for each atom type (1-Ntype) - *max* args = maxb maxa maxd - maxb,maxa,maxd = maximum bonds/angles/dihedrals per atom - -Examples -"""""""" - -.. code-block:: LAMMPS - - fix 1 all mscg 1 - fix 1 all mscg 1 range name A B - fix 1 all mscg 1 max 4 8 20 - -Description -""""""""""" - -This fix applies the Multi-Scale Coarse-Graining (MSCG) method to -snapshots from a dump file to generate potentials for coarse-grained -simulations from all-atom simulations, using a force-matching technique -(:ref:`Izvekov `, :ref:`Noid `). - -It makes use of the MS-CG library, written and maintained by Greg Voth's -group at the University of Chicago, which is freely available on their -`MS-CG GitHub site `_. -See instructions on obtaining and installing the MS-CG library in the -src/MSCG/README file, which must be done before you build LAMMPS with -this fix command and use the command in a LAMMPS input script. - -An example script using this fix is provided the examples/mscg -directory. - -The general workflow for using LAMMPS in conjunction with the MS-CG -library to create a coarse-grained model and run coarse-grained -simulations is as follows: - -1. Perform all-atom simulations on the system to be coarse grained. -2. Generate a trajectory mapped to the coarse-grained model. -3. Create input files for the MS-CG library. -4. Run the range finder functionality of the MS-CG library. -5. Run the force matching functionality of the MS-CG library. -6. Check the results of the force matching. -7. Run coarse-grained simulations using the new coarse-grained potentials. - -This fix can perform the range finding and force matching steps 4 and 5 -of the above workflow when used in conjunction with the :doc:`rerun -` command. It does not perform steps 1-3 and 6-7. - -Step 2 can be performed using a Python script (cgmap), which defines the -coarse-grained model and converts a standard LAMMPS dump file for an -all-atom simulation (step 1) into a LAMMPS dump file which has the -positions of and forces on the coarse-grained beads. To use cgmap the -following repositories need to be downloaded and installed. - -#. The custom lammpsdata branch of mdtraj from https://github.com/hockyg/mdtraj/tree/lammpsdata -#. The master branch of cgmap from https://github.com/uchicago-voth/cgmap - -In step 3, an input file named "control.in" is needed by the MS-CG -library which sets parameters for the range finding and force matching -functionalities. See the examples/mscg/control.in file as an example. -And see the documentation provided with the MS-CG library for more -info on this file. - -When this fix is used to perform steps 4 and 5, the MS-CG library also -produces additional output files. The range finder functionality -(step 4) outputs files defining pair and bonded interaction ranges. The -force matching functionality (step 5) outputs tabulated force files for -every interaction in the system. Other diagnostic files can also be -output depending on the parameters in the MS-CG library input script. -Again, see the documentation provided with the MS-CG library for more -info. - ----------- - -The *range* keyword specifies which MS-CG library functionality should -be invoked. If *on*, the step 4 range finder functionality is invoked. -*off*, the step 5 force matching functionality is invoked. - -If the *name* keyword is used, string names are defined to associate -with the integer atom types in LAMMPS. *Ntype* names must be provided, -one for each atom type (1-Ntype). - -The *max* keyword specifies the maximum number of bonds, angles, and -dihedrals a bead can have in the coarse-grained model. - -Restrictions -"""""""""""" - -This fix is part of the MSCG package. It is only enabled if LAMMPS was -built with that package. Building the MSCG package also requires -external libraries. See the :doc:`Build_package` and :doc:`Build_extras` -pages for more info. - -Currently, the MS-CG library is not set up to run in parallel with MPI, -so this fix can only be used in a serial LAMMPS build and run on a -single processor. - -Related commands -"""""""""""""""" - -none - - -Default -""""""" - -The default keyword settings are range off, max 4 12 36. - ----------- - -.. _Izvekov: - -**(Izvekov)** Izvekov, Voth, J Chem Phys 123, 134105 (2005). - -.. _Noid: - -**(Noid)** Noid, Chu, Ayton, Krishna, Izvekov, Voth, Das, Andersen, J -Chem Phys 128, 134105 (2008). diff --git a/doc/src/fix_vector.rst b/doc/src/fix_vector.rst index 95ec350e12..ee925b39b0 100644 --- a/doc/src/fix_vector.rst +++ b/doc/src/fix_vector.rst @@ -8,7 +8,7 @@ Syntax .. code-block:: LAMMPS - fix ID group-ID vector Nevery value1 value2 ... + fix ID group-ID vector Nevery value1 value2 ... keyword args ... * ID, group-ID are documented in :doc:`fix ` command * vector = style name of this fix command @@ -25,6 +25,13 @@ Syntax v_name = value calculated by an equal-style variable with name v_name[I] = Ith component of vector-style variable with name +* zero or more keyword/args pairs may be appended +* keyword = *nmax* + + .. parsed-literal:: + + *nmax* length = set maximal length of vector to + Examples """""""" @@ -32,21 +39,26 @@ Examples fix 1 all vector 100 c_myTemp fix 1 all vector 5 c_myTemp v_integral + fix 1 all vector 50 c_myTemp nmax 200 Description """"""""""" -Use one or more global values as inputs every few timesteps, and -simply store them. For a single specified value, the values are +Use one or more global values as inputs every few timesteps, and simply +store them as a sequence. For a single specified value, the values are stored as a global vector of growing length. For multiple specified -values, they are stored as rows in a global array, whose number of -rows is growing. The resulting vector or array can be used by other +values, they are stored as rows in a global array, whose number of rows +is growing. The resulting vector or array can be used by other :doc:`output commands `. +The optional *nmax* keyword can be used to restrict the length of the +vector to the given *length* value. Once the restricted vector is +filled, the oldest entry will be discarded when a entry is added. + One way to to use this command is to accumulate a vector that is -time-integrated using the :doc:`variable trap() ` function. -For example the velocity auto-correlation function (VACF) can be -time-integrated, to yield a diffusion coefficient, as follows: +numerically integrated using the :doc:`variable trap() ` +function. For example, the velocity auto-correlation function (VACF) +can be integrated, to yield a diffusion coefficient, as follows: .. code-block:: LAMMPS @@ -77,6 +89,15 @@ The *Nevery* argument specifies on what timesteps the input values will be used in order to be stored. Only timesteps that are a multiple of *Nevery*, including timestep 0, will contribute values. +.. note:: + :class: warning + + If *Nevery* is a small number and the simulation runs for many + steps, the accumulated vector or array can become very large and + thus consume a lot of memory. The implementation limit is about + 2 billion entries. Using the *nmax* keyword mentioned above can + avoid that by limiting the size of the vector. + Note that if you perform multiple runs, using the "pre no" option of the :doc:`run ` command to avoid initialization on subsequent runs, then you need to use the *stop* keyword with the first :doc:`run ` @@ -94,11 +115,12 @@ calculated by the compute is used. Note that there is a :doc:`compute reduce ` command which can sum per-atom quantities into a global scalar or vector which -can thus be accessed by fix vector. Or it can be a compute defined -not in your input script, but by :doc:`thermodynamic output ` or other fixes such as :doc:`fix nvt ` -or :doc:`fix temp/rescale `. See the doc pages for -these commands which give the IDs of these computes. Users can also -write code for their own compute styles and :doc:`add them to LAMMPS `. +can thus be accessed by fix vector. Or it can be a compute defined not +in your input script, but by :doc:`thermodynamic output ` +or other fixes such as :doc:`fix nvt ` or :doc:`fix temp/rescale +`. See the doc pages for these commands which give +the IDs of these computes. Users can also write code for their own +compute styles and :doc:`add them to LAMMPS `. If a value begins with "f\_", a fix ID must follow which has been previously defined in the input script. If no bracketed term is @@ -108,7 +130,8 @@ calculated by the fix is used. Note that some fixes only produce their values on certain timesteps, which must be compatible with *Nevery*, else an error will result. -Users can also write code for their own fix styles and :doc:`add them to LAMMPS `. +Users can also write code for their own fix styles and :doc:`add them to +LAMMPS `. If a value begins with "v\_", a variable name must follow which has been previously defined in the input script. An equal-style or @@ -126,8 +149,9 @@ quantities to be stored by fix vector. Restart, fix_modify, output, run start/stop, minimize info """"""""""""""""""""""""""""""""""""""""""""""""""""""""""" -No information about this fix is written to :doc:`binary restart files `. None of the :doc:`fix_modify ` options -are relevant to this fix. +No information about this fix is written to :doc:`binary restart files +`. None of the :doc:`fix_modify ` options are +relevant to this fix. This fix produces a global vector or global array which can be accessed by various :doc:`output commands `. The values @@ -144,15 +168,15 @@ the vector are "intensive" or "extensive". If the fix produces an array, then all elements in the array must be the same, either "intensive" or "extensive". If a compute or fix provides the value stored, then the compute or fix determines whether the value is -intensive or extensive; see the page for that compute or fix for -further info. Values produced by a variable are treated as intensive. +intensive or extensive; see the page for that compute or fix for further +info. Values produced by a variable are treated as intensive. This fix can allocate storage for stored values accumulated over -multiple runs, using the *start* and *stop* keywords of the -:doc:`run ` command. See the :doc:`run ` command for details of -how to do this. If using the :doc:`run pre no ` command option, -this is required to allow the fix to allocate sufficient storage for -stored values. +multiple runs, using the *start* and *stop* keywords of the :doc:`run +` command. See the :doc:`run ` command for details of how to +do this. If using the :doc:`run pre no ` command option, this is +required to allow the fix to allocate sufficient storage for stored +values. This fix is not invoked during :doc:`energy minimization `. @@ -165,7 +189,10 @@ Related commands :doc:`compute `, :doc:`variable ` -Default -""""""" +Defaults +"""""""" -none +The default value of *nmax* is deduced from the number of steps +in a run (or multiple runs when using the *start* and *stop* +keywords of the :doc:`run command `) divided by the choice +of *Nevery* plus 1. diff --git a/doc/src/read_restart.rst b/doc/src/read_restart.rst index fce6154ea7..dadecc9b47 100644 --- a/doc/src/read_restart.rst +++ b/doc/src/read_restart.rst @@ -19,7 +19,6 @@ Examples read_restart save.10000 read_restart restart.* - read_restart restart.*.mpiio Description """"""""""" @@ -120,22 +119,6 @@ different the number of processors in the current LAMMPS simulation. This can be a fast mode of input on parallel machines that support parallel I/O. -A restart file can also be read in parallel as one large binary file -via the MPI-IO library, assuming it was also written with MPI-IO. -MPI-IO is part of the MPI standard for versions 2.0 and above. Using -MPI-IO requires two steps. First, build LAMMPS with its MPIIO package -installed, e.g. - -.. code-block:: bash - - make yes-mpiio # installs the MPIIO package - make mpi # build LAMMPS for your platform - -Second, use a restart filename which contains ".mpiio". Note that it -does not have to end in ".mpiio", just contain those characters. -Unlike MPI-IO dump files, a particular restart file must be both -written and read using MPI-IO. - ---------- Here is the list of information included in a restart file, which @@ -268,8 +251,7 @@ information about these bonds is written to the restart file. Restrictions """""""""""" -To write and read restart files in parallel with MPI-IO, the MPIIO -package must be installed. +none Related commands """""""""""""""" diff --git a/doc/src/restart.rst b/doc/src/restart.rst index 10394de80e..3fb74ab936 100644 --- a/doc/src/restart.rst +++ b/doc/src/restart.rst @@ -33,7 +33,6 @@ Examples restart 0 restart 1000 poly.restart - restart 1000 poly.restart.mpiio restart 1000 restart.*.equil restart 10000 poly.%.1 poly.%.2 nfile 10 restart v_mystep poly.restart @@ -81,21 +80,6 @@ of output and subsequent input on parallel machines that support parallel I/O. The optional *fileper* and *nfile* keywords discussed below can alter the number of files written. -The restart file can also be written in parallel as one large binary -file via the MPI-IO library, which is part of the MPI standard for -versions 2.0 and above. Using MPI-IO requires two steps. First, -build LAMMPS with its MPIIO package installed, e.g. - -.. code-block:: bash - - make yes-mpiio # installs the MPIIO package - make mpi # build LAMMPS for your platform - -Second, use a restart filename which contains ".mpiio". Note that it -does not have to end in ".mpiio", just contain those characters. -Unlike MPI-IO dump files, a particular restart file must be both -written and read using MPI-IO. - Restart files are written on timesteps that are a multiple of N but not on the first timestep of a run or minimization. You can use the :doc:`write_restart ` command to write a restart file @@ -104,15 +88,17 @@ timestep of a run unless it is a multiple of N. A restart file is written on the last timestep of a minimization if N > 0 and the minimization converges. -Instead of a numeric value, N can be specified as an :doc:`equal-style variable `, which should be specified as v_name, where -name is the variable name. In this case, the variable is evaluated at -the beginning of a run to determine the next timestep at which a -restart file will be written out. On that timestep, the variable will -be evaluated again to determine the next timestep, etc. Thus the -variable should return timestep values. See the stagger() and -logfreq() and stride() math functions for :doc:`equal-style variables `, as examples of useful functions to use in -this context. Other similar math functions could easily be added as -options for :doc:`equal-style variables `. +Instead of a numeric value, N can be specified as an :doc:`equal-style +variable `, which should be specified as v_name, where name is +the variable name. In this case, the variable is evaluated at the +beginning of a run to determine the next timestep at which a restart +file will be written out. On that timestep, the variable will be +evaluated again to determine the next timestep, etc. Thus the variable +should return timestep values. See the stagger() and logfreq() and +stride() math functions for :doc:`equal-style variables `, as +examples of useful functions to use in this context. Other similar math +functions could easily be added as options for :doc:`equal-style +variables `. For example, the following commands will write restart files every step from 1100 to 1200, and could be useful for debugging @@ -170,8 +156,7 @@ next 3 processors and write it to a restart file. Restrictions """""""""""" -To write and read restart files in parallel with MPI-IO, the MPIIO -package must be installed. +none Related commands """""""""""""""" diff --git a/doc/src/write_restart.rst b/doc/src/write_restart.rst index c3b6165b7c..a35adffe56 100644 --- a/doc/src/write_restart.rst +++ b/doc/src/write_restart.rst @@ -27,7 +27,6 @@ Examples .. code-block:: LAMMPS write_restart restart.equil - write_restart restart.equil.mpiio write_restart poly.%.* nfile 10 Description @@ -53,32 +52,6 @@ output and subsequent input on parallel machines that support parallel I/O. The optional *fileper* and *nfile* keywords discussed below can alter the number of files written. -The restart file can also be written in parallel as one large binary -file via the MPI-IO library, which is part of the MPI standard for -versions 2.0 and above. Using MPI-IO requires two steps. First, -build LAMMPS with its MPIIO package installed, e.g. - -.. tabs:: - - .. tab:: CMake build - - .. code-block:: bash - - cmake . -DPKG_MPIIO=on # enables the MPIIO package in the build folder - cmake --build . # recompiles LAMMPS with the package code included - - .. tab:: Traditional make - - .. code-block:: bash - - make yes-mpiio # installs the MPIIO package - make mpi # build LAMMPS for your platform - -Second, use a restart filename which contains ".mpiio". Note that it -does not have to end in ".mpiio", just contain those characters. -Unlike MPI-IO dump files, a particular restart file must be both -written and read using MPI-IO. - Restart files can be read by a :doc:`read_restart ` command to restart a simulation from a particular state. Because the file is binary (to enable exact restarts), it may not be readable on @@ -128,9 +101,6 @@ before the restart file is written. This means that your system must be ready to perform a simulation before using this command (force fields setup, atom masses initialized, etc). -To write and read restart files in parallel with MPI-IO, the MPIIO -package must be installed. - Related commands """""""""""""""" diff --git a/doc/utils/requirements.txt b/doc/utils/requirements.txt index 9c8522948b..5b298c2975 100644 --- a/doc/utils/requirements.txt +++ b/doc/utils/requirements.txt @@ -1,4 +1,4 @@ -Sphinx >= 5.3.0, <7.1.0 +Sphinx >= 5.3.0, <7.2.0 sphinxcontrib-spelling sphinxcontrib-jquery git+https://github.com/akohlmey/sphinx-fortran@parallel-read diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index a68cd2714f..bcf1e741c4 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -1195,6 +1195,7 @@ Freitas Frenkel Friedrichs fs +fsaa fsh fstyle fsw @@ -1528,6 +1529,7 @@ inhomogeneous init initialdelay initialisms +initializer initializations InitiatorIDs initio @@ -2228,6 +2230,7 @@ monolayer monopole monovalent Montalenti +Monterey Montero Monti Mora @@ -3488,6 +3491,7 @@ supercell superset supersphere Supinski +Sur Surblys surfactant surfactants @@ -3619,6 +3623,7 @@ Tk Tkin tloop tlsph +tm tmax Tmax tmd @@ -3635,6 +3640,7 @@ tokyo tol tomic toolchain +toolset topologies Toporov Torder @@ -3833,6 +3839,7 @@ vectorized Vegt vel Velázquez +Ventura venv Verlag verlet @@ -4090,6 +4097,7 @@ zmq zN zs zsc +Zsh zst Zstandard zstd diff --git a/examples/ASPHERE/tri/in.tri.srd b/examples/ASPHERE/tri/in.tri.srd index 9bfc9d7b65..7878b9ecc2 100644 --- a/examples/ASPHERE/tri/in.tri.srd +++ b/examples/ASPHERE/tri/in.tri.srd @@ -2,7 +2,7 @@ units lj atom_style tri -atom_modify first big +atom_modify first big map yes read_data data.tri.srd @@ -52,12 +52,12 @@ pair_coeff 1 2 0.0 1.0 0.0 timestep 0.001 -fix 1 big rigid molecule #langevin 1.0 1.0 0.1 12398 -fix 2 small srd 20 big 1.0 0.25 49894 & +fix 1 big rigid/small molecule #langevin 1.0 1.0 0.1 12398 +fix 2 small srd 20 big 1.0 1.0 49894 & search 0.2 cubic warn 0.0001 shift yes 49829 & - overlap yes collision noslip + overlap yes collision noslip inside ignore -fix 3 all deform 1 x scale 0.6 y scale 0.6 z scale 0.6 +fix 3 all deform 1 x scale 0.8 y scale 0.8 z scale 0.8 # diagnostics @@ -73,8 +73,8 @@ compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms -thermo 1000 -thermo_style custom step f_1 c_tsmall f_2[9] temp press +thermo 100 +thermo_style custom step f_1 c_tsmall temp press f_2[9] f_2[4] thermo_modify temp tbig compute 10 all property/atom corner1x corner1y corner1z & @@ -93,9 +93,9 @@ unfix 3 change_box all triclinic -fix 2 small srd 20 big 1.0 0.25 49894 & +fix 2 small srd 20 big 1.0 1.0 49894 & search 0.2 cubic warn 0.0001 shift yes 49829 & - overlap yes collision noslip tstat yes + overlap yes collision noslip tstat yes inside ignore #dump 1 all custom 500 dump2.atom.srd id type x y z ix iy iz #dump 2 all custom 500 dump2.tri.srd id type & diff --git a/examples/ASPHERE/tri/log.15Aug23.tri.srd.g++.8 b/examples/ASPHERE/tri/log.15Aug23.tri.srd.g++.8 new file mode 100644 index 0000000000..6103a5c9c9 --- /dev/null +++ b/examples/ASPHERE/tri/log.15Aug23.tri.srd.g++.8 @@ -0,0 +1,812 @@ +LAMMPS (2 Aug 2023 - Development - patch_2Aug2023-114-gdad8081d55-modified) +WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (../lammps.cpp:537) +# Aspherical shear demo - 3d triangle boxes, solvated by SRD particles + +units lj +atom_style tri +atom_modify first big map yes + +read_data data.tri.srd +Reading data file ... + orthogonal box = (-8.4373405 -8.4373405 -8.4373405) to (8.4373405 8.4373405 8.4373405) + 2 by 2 by 2 MPI processor grid + reading atoms ... + 1500 atoms + 1500 triangles + read_data CPU = 0.007 seconds + +# add small particles as hi density lattice + +lattice sc 0.4 +Lattice spacing in x,y,z = 1.3572088 1.3572088 1.3572088 +region box block INF INF INF INF INF INF +lattice sc 20.0 +Lattice spacing in x,y,z = 0.36840315 0.36840315 0.36840315 +create_atoms 2 region box +Created 91125 atoms + using lattice units in orthogonal box = (-8.4373405 -8.4373405 -8.4373405) to (8.4373405 8.4373405 8.4373405) + create_atoms CPU = 0.002 seconds + +group big type 1 +1500 atoms in group big +group small type 2 +91125 atoms in group small +set group small mass 0.01 +Setting atom values ... + 91125 settings made for mass + +# delete overlaps +# must set 1-2 cutoff to non-zero value + +pair_style lj/cut 1.5 +pair_coeff 1 1 1.0 1.0 +pair_coeff 2 2 0.0 1.0 0.0 +pair_coeff 1 2 0.0 1.0 + +delete_atoms overlap 1.5 small big +System init for delete_atoms ... +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 1.8 + ghost atom cutoff = 1.8 + binsize = 0.9, bins = 19 19 19 + 2 neighbor lists, perpetual/occasional/extra = 1 1 0 + (1) command delete_atoms, occasional + attributes: full, newton on + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard + (2) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +WARNING: Delete_atoms cutoff > minimum neighbor cutoff (../delete_atoms.cpp:312) +Deleted 76354 atoms, new total = 16271 + +# SRD run + +reset_timestep 0 + +velocity small create 1.44 87287 loop geom + +neighbor 0.3 multi +neigh_modify delay 0 every 1 check yes +neigh_modify exclude molecule/intra big include big + +comm_modify mode multi group big vel yes +neigh_modify include big + +# no pairwise interactions with small particles + +pair_style tri/lj 3.5 +pair_coeff 1 1 0.1 1.0 +pair_coeff 2 2 0.0 1.0 0.0 +pair_coeff 1 2 0.0 1.0 0.0 + +# use fix SRD to push small particles out from inside big ones +# if comment out, big particles won't see SRD particles + +timestep 0.001 + +fix 1 big rigid/small molecule #langevin 1.0 1.0 0.1 12398 + create bodies CPU = 0.000 seconds + 125 rigid bodies with 1500 atoms + 1.8601881 = max distance from body owner to body atom +fix 2 small srd 20 big 1.0 1.0 49894 search 0.2 cubic warn 0.0001 shift yes 49829 overlap yes collision noslip inside ignore + +fix 3 all deform 1 x scale 0.8 y scale 0.8 z scale 0.8 + +# diagnostics + +compute tsmall small temp/deform +compute tbig big temp +variable pebig equal pe*atoms/count(big) +variable ebig equal etotal*atoms/count(big) + +compute_modify tbig extra/dof -4500 + +compute 1 big erotate/asphere +compute 2 all ke +compute 3 all pe +variable toteng equal (c_1+c_2+c_3)/atoms + +thermo 100 +thermo_style custom step f_1 c_tsmall temp press f_2[9] f_2[4] +thermo_modify temp tbig +WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:527) + +compute 10 all property/atom corner1x corner1y corner1z corner2x corner2y corner2z corner3x corner3y corner3z + +#dump 1 all custom 500 dump1.atom.srd id type x y z ix iy iz +#dump 2 all custom 500 dump1.tri.srd id type # c_10[1] c_10[2] c_10[3] c_10[4] c_10[5] c_10[6] # c_10[7] c_10[8] c_10[9] + +run 10000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2 + +@Article{Intveld08, + author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest}, + title = {Accurate and Efficient Methods for Modeling Colloidal + Mixtures in an Explicit Solvent using Molecular Dynamics}, + journal = {Comput.\ Phys.\ Commut.}, + year = 2008, + volume = 179, + pages = {320--329} +} + +@article{Shire2020, + author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin}, + title = {{DEM} Simulations of Polydisperse Media: Efficient Contact + Detection Applied to Investigate the Quasi-Static Limit}, + journal = {Computational Particle Mechanics}, + year = {2020} +@article{Monti2022, + author = {Monti, Joseph M. and Clemmer, Joel T. and Srivastava, + Ishan and Silbert, Leonardo E. and Grest, Gary S. + and Lechman, Jeremy B.}, + title = {Large-scale frictionless jamming with power-law particle + size distributions}, + journal = {Phys. Rev. E}, + volume = {106} + issue = {3} + year = {2022} +} + +- fix srd command: doi:10.1063/1.3419070 + +@Article{Petersen10, + author = {M. K. Petersen and J. B. Lechman and S. J. Plimpton and + G. S. Grest and in 't Veld, P. J. and P. R. Schunk}, + title = {Mesoscale Hydrodynamics via Stochastic Rotation + Dynamics: Comparison with {L}ennard-{J}ones Fluid}, + journal = {J.~Chem.\ Phys.}, + year = 2010, + volume = 132, + pages = 174106 +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +WARNING: Using compute temp/deform with inconsistent fix deform remap option (../compute_temp_deform.cpp:71) +WARNING: Using fix srd with box deformation but no SRD thermostat (../fix_srd.cpp:405) +SRD info: + SRD/big particles = 14771 1500 + big particle diameter max/min = 2.9202881 0.87320391 + SRD temperature & lamda = 1 0.2 + SRD max distance & max velocity = 0.8 40 + SRD grid counts: 17 17 17 + SRD grid size: request, actual (xyz) = 1, 0.99262829 0.99262829 0.99262829 + SRD per actual grid cell = -3.9971745 + SRD viscosity = -34.162587 + big/SRD mass density ratio = -3.3753691 +WARNING: SRD bin size for fix srd differs from user request (../fix_srd.cpp:2805) +WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2826) +WARNING: Fix srd viscosity < 0.0 due to low SRD density (../fix_srd.cpp:2828) + # of rescaled SRD velocities = 0 + ave/max small velocity = 19.970837 35.150443 + ave/max big velocity = 0 0 +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 3.8 + ghost atom cutoff = 3.8 + binsize = 16.874681, bins = 1 1 1 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair tri/lj, perpetual + attributes: half, newton on + pair build: half/multi/newton + stencil: half/multi/3d + bin: multi +Per MPI rank memory allocation (min/avg/max) = 125.9 | 126.4 | 126.7 Mbytes + Step f_1 c_tsmall Temp Press f_2[9] f_2[4] + 0 0 1.4401779 0 -0.15917996 0 0 + 100 0.36662911 1.1475389 0.24585067 1.0290503 1.1382325 18 + 200 0.73133134 1.0558153 0.49986673 0.73932383 1.049638 34 + 300 1.1229361 1.0218621 0.82641583 0.7589689 1.0205369 40 + 400 1.5826262 0.99541508 1.2201293 0.69171726 0.99190857 52 + 500 1.8834563 0.99351667 1.4778822 1.0147794 1.0005581 63 + 600 2.4225372 0.98954834 1.8740966 1.1362893 0.99760042 61 + 700 3.0172772 0.99153625 2.3351502 1.3284877 0.98731355 39 + 800 3.5307913 1.0012521 2.6477224 1.1404922 0.9846605 52 + 900 3.757064 0.99743944 2.7220653 1.4078087 0.97538456 55 + 1000 4.3165268 1.002214 3.055501 1.2252972 0.99123745 63 + 1100 4.2796945 1.0075233 3.1022956 1.1893685 1.0139864 69 + 1200 4.3719315 1.0037271 3.0054509 1.3886162 1.002661 64 + 1300 4.5628012 0.99368316 3.2690604 1.3621012 0.9810568 56 + 1400 4.6954389 0.99365088 3.1940001 1.8485712 0.99571089 71 + 1500 5.0270163 0.99455258 3.4120396 1.5992539 0.98294263 77 + 1600 5.5897797 1.0021621 3.647347 1.7796904 0.98967622 66 + 1700 5.5330194 1.0130853 3.6407996 1.8005429 1.0068955 62 + 1800 5.3606928 1.0090284 3.5863618 1.3308757 1.0214092 59 + 1900 5.6086195 1.0071865 3.7427101 1.5296314 0.99886937 55 + 2000 5.3726474 1.0064207 3.603621 1.9473142 0.99999816 54 + 2100 5.836183 1.0124553 3.7321841 1.7889397 1.0188986 59 + 2200 5.5090061 1.0113832 3.5884963 1.6617781 1.0071583 59 + 2300 5.4011211 1.0095947 3.520406 1.8937582 0.99689983 61 + 2400 5.2219281 1.0053246 3.3699458 1.7231672 0.99899754 59 + 2500 5.7695275 1.0141459 3.6211469 1.7767598 1.0143133 65 + 2600 5.4206253 1.0182828 3.521774 2.0800518 1.0081603 70 + 2700 5.1401099 1.0085209 3.4200563 2.4019836 1.0107652 59 + 2800 6.5420721 1.0159876 4.1996904 1.863842 1.0160738 61 + 2900 5.9082962 1.0106921 3.7223419 2.0586998 1.0073885 67 + 3000 5.6556123 1.0099021 3.6768976 1.921987 1.0068962 76 + 3100 5.2913762 1.0008567 3.4103831 1.9831969 0.99187526 80 + 3200 5.1032361 0.99756662 3.1967156 2.2448433 0.99743574 93 + 3300 5.2622386 1.0024934 3.3325614 2.0078097 1.0047789 86 + 3400 5.1247527 0.99810102 3.1363556 1.8907269 0.98936508 82 + 3500 4.9424333 1.0009344 3.2153968 1.9002728 0.99161849 71 + 3600 5.1243735 1.0037377 3.3117313 2.1267438 1.0078943 65 + 3700 5.5045819 1.0006119 3.5686193 2.3466538 0.99876164 68 + 3800 5.5355384 1.0022639 3.6701457 2.0383269 1.0008683 76 + 3900 6.4915796 1.0137733 4.3225864 2.6996933 1.0064787 79 + 4000 6.6631737 1.0236248 4.3057163 2.6352666 1.0255232 75 + 4100 6.2999507 1.0263876 4.0101385 2.5479077 1.0168303 79 + 4200 6.7902489 1.0247392 4.4616158 2.4926177 1.0191403 91 + 4300 6.505908 1.0182073 4.0675428 2.168754 1.0177101 74 + 4400 5.9554283 1.0115938 3.5787297 2.9258144 1.0133896 72 + 4500 6.2276609 1.0202416 3.8211204 2.5308249 1.0174385 74 + 4600 6.0485727 1.0195757 3.8217434 2.6421797 1.0201441 78 + 4700 6.511063 1.0220764 3.933486 2.8591093 1.0147269 83 + 4800 6.9478172 1.0106414 4.345402 3.3257663 1.00469 85 + 4900 6.7547045 1.0211842 4.1874576 3.6503845 1.022873 94 + 5000 7.2603949 1.0234313 4.5393985 3.4667806 1.0222306 105 + 5100 7.1899652 1.0256566 4.5421834 3.8137207 1.0317242 99 + 5200 7.1960739 1.026746 4.4288606 3.5523675 1.0242269 97 + 5300 7.1294458 1.017883 4.5799808 3.3917274 1.0145317 99 + 5400 6.2810892 1.0291953 4.0109229 2.8604571 1.0289438 97 + 5500 6.15246 1.0288734 3.8714587 3.2760394 1.0210757 89 + 5600 6.5860526 1.0192882 4.0272883 3.3124298 1.0096258 93 + 5700 7.0296116 1.0097293 4.2652722 3.6049788 1.012463 82 + 5800 6.8372302 1.0140065 4.2205065 4.3686183 1.0088542 93 + 5900 7.8887098 1.0090612 4.9724078 4.457317 1.0045137 92 + 6000 10.120663 1.0312443 6.3025192 4.72018 1.0374722 91 + 6100 9.1318265 1.0304199 5.7084296 4.244548 1.0259056 97 + 6200 8.9758903 1.0295285 5.1842704 4.870955 1.0178851 95 + 6300 9.0088218 1.022484 5.3742805 5.1554352 1.0138365 101 + 6400 10.470322 1.0287848 6.4602103 4.5461489 1.0335978 105 + 6500 11.100779 1.0347405 6.9630121 4.9840664 1.0339044 99 + 6600 10.139333 1.0476079 6.4284839 4.5523893 1.0433517 104 + 6700 8.9706766 1.0386262 5.8387485 4.247024 1.0408151 101 + 6800 7.7799532 1.0362651 4.9946283 4.6093924 1.0274763 102 + 6900 8.0866551 1.0337743 4.9942769 4.1679939 1.0454805 102 + 7000 8.0224277 1.0193598 4.9380527 3.9173115 1.0185001 109 + 7100 7.8361001 1.0211143 4.872673 5.3471479 1.024779 110 + 7200 7.8542147 1.0057183 4.8666653 4.668317 0.99980296 122 + 7300 7.9313852 1.0159181 5.0062527 4.1410294 1.0195705 114 + 7400 7.2769846 1.0155245 4.6349779 4.9138895 1.0005886 119 + 7500 7.5974523 1.0196295 4.7918247 4.2525935 1.0211412 124 + 7600 6.7835063 1.0203187 4.2674694 4.9251624 1.0218296 113 + 7700 6.4039017 1.0119494 4.1086667 5.5240525 1.0078246 118 + 7800 7.0715134 1.0149015 4.2450776 4.8796778 1.0164737 125 + 7900 6.3626535 1.02294 4.202778 4.482164 1.0235878 136 + 8000 6.2423869 1.0212553 4.0460303 5.2753307 1.0124884 132 + 8100 6.550891 1.0223318 4.2993545 5.2634985 1.0163244 143 + 8200 6.9122202 1.008347 4.3551124 5.4108909 1.0084913 142 + 8300 6.9104634 1.0103936 4.4622206 5.6762373 0.99559355 143 + 8400 6.4918879 1.0084381 4.1050732 5.8389788 1.0036021 135 + 8500 7.4377218 1.0216662 4.5229841 5.5431311 1.0260799 123 + 8600 7.572198 1.0228381 4.9058913 7.1028185 1.0015164 116 + 8700 8.204675 1.03457 5.2231696 6.4790244 1.0214635 132 + 8800 8.3118914 1.0381333 5.1795799 6.7437722 1.0290086 132 + 8900 8.2559198 1.0268665 5.218352 7.2191395 1.019804 138 + 9000 8.0403128 1.0339414 4.9310394 6.4942331 1.041527 156 + 9100 7.1773079 1.0397062 4.4993688 7.0272109 1.0388012 167 + 9200 7.1793935 1.0373589 4.3481663 7.4894459 1.0078785 157 + 9300 8.3705146 1.0248112 5.1036971 8.2173072 1.010168 156 + 9400 9.4935002 1.0252907 5.7846951 9.7466018 1.028941 170 + 9500 9.5208037 1.0371093 5.9635099 7.6444933 1.022673 165 + 9600 8.9992217 1.0292895 5.6224192 8.8071452 1.0101362 169 + 9700 8.682661 1.0422224 5.3997636 8.6827834 1.0337928 149 + 9800 7.6191562 1.0350948 4.7198842 8.6125595 1.0300395 151 + 9900 8.0910913 1.0319432 4.8843183 7.9013334 1.0272495 167 + 10000 7.4438347 1.0186098 4.7184985 8.999795 0.99762661 177 +Loop time of 162.325 on 8 procs for 10000 steps with 16271 atoms + +Performance: 5322.658 tau/day, 61.605 timesteps/s, 1.002 Matom-step/s +99.3% CPU use with 8 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 33.647 | 64.106 | 79.639 | 169.5 | 39.49 +Neigh | 0.30808 | 0.44033 | 0.50863 | 9.8 | 0.27 +Comm | 26.611 | 43.438 | 74.998 | 215.7 | 26.76 +Output | 0.0072573 | 0.0087791 | 0.0097993 | 0.9 | 0.01 +Modify | 53.171 | 54.121 | 55.362 | 12.3 | 33.34 +Other | | 0.2104 | | | 0.13 + +Nlocal: 2033.88 ave 2601 max 1413 min +Histogram: 1 2 0 0 0 0 2 1 1 1 +Nghost: 1647.25 ave 1714 max 1617 min +Histogram: 4 0 1 0 0 1 1 0 0 1 +Neighs: 12482.8 ave 17009 max 8679 min +Histogram: 1 1 1 0 1 1 2 0 0 1 + +Total # of neighbors = 99862 +Ave neighs/atom = 6.1374224 +Neighbor list builds = 562 +Dangerous builds = 0 + +#undump 1 +#undump 2 +unfix 3 + +change_box all triclinic +Changing box ... + triclinic box = (-6.7498724 -6.7498724 -6.7498724) to (6.7498724 6.7498724 6.7498724) with tilt (0 0 0) + +fix 2 small srd 20 big 1.0 1.0 49894 search 0.2 cubic warn 0.0001 shift yes 49829 overlap yes collision noslip tstat yes inside ignore + +#dump 1 all custom 500 dump2.atom.srd id type x y z ix iy iz +#dump 2 all custom 500 dump2.tri.srd id type # c_10[1] c_10[2] c_10[3] c_10[4] c_10[5] c_10[6] # c_10[7] c_10[8] c_10[9] + +fix 3 all deform 1 xy erate 0.05 units box remap v + +run 40000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +SRD info: + SRD/big particles = 14771 1500 + big particle diameter max/min = 2.9202881 0.87320391 + SRD temperature & lamda = 1 0.2 + SRD max distance & max velocity = 0.8 40 + SRD grid counts: 13 13 13 + SRD grid size: request, actual (xyz) = 1, 1.0384419 1.0384419 1.0384419 + SRD per actual grid cell = -2.775698 + SRD viscosity = -12.180602 + big/SRD mass density ratio = -5.5653033 +WARNING: SRD bin size for fix srd differs from user request (../fix_srd.cpp:2805) +WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2826) +WARNING: Fix srd viscosity < 0.0 due to low SRD density (../fix_srd.cpp:2828) + # of rescaled SRD velocities = 1 + ave/max small velocity = 16.14994 40 + ave/max big velocity = 1.6952661 5.2200074 +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 3.8 + ghost atom cutoff = 3.8 + binsize = 13.499745, bins = 1 1 1 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair tri/lj, perpetual + attributes: half, newton on + pair build: half/multi/newton/tri + stencil: half/multi/3d/tri + bin: multi +Per MPI rank memory allocation (min/avg/max) = 106.9 | 107.5 | 107.7 Mbytes + Step f_1 c_tsmall Temp Press f_2[9] f_2[4] + 10000 7.4438347 1.0189789 4.7184481 7.9505614 0 0 + 10100 7.0770142 1.0021471 4.4491455 6.606701 1 141 + 10200 6.7628072 1.002308 4.152988 8.5190386 1 125 + 10300 6.5333319 1.0007472 4.1295404 8.2341747 1 109 + 10400 6.3237519 1.0024029 3.8636034 9.4058128 1 95 + 10500 6.6411054 1.0026261 4.2975997 7.6122304 1 82 + 10600 5.7470775 1.0004827 3.7959947 7.3091777 1 67 + 10700 5.9744919 1.0014977 3.6885649 7.5517197 1 59 + 10800 5.8028731 1.0029627 3.7553961 6.2787087 1 49 + 10900 5.3755286 1.0019318 3.5334739 7.1318348 1 41 + 11000 5.3915962 1.001463 3.483172 7.6362496 1 40 + 11100 5.8683672 1.0022459 3.6697589 6.9711866 1 33 + 11200 5.4351801 0.99956703 3.4548447 7.0745257 1 29 + 11300 4.9397513 1.0008287 3.1990325 6.0917337 1 27 + 11400 4.9159845 1.0017862 3.0005677 7.653817 1 26 + 11500 4.9243103 1.0013135 3.1799841 7.744414 1 23 + 11600 5.2036357 1.0017984 3.2963749 7.540477 1 22 + 11700 4.8991892 1.0020757 3.1773032 8.7218471 1 27 + 11800 4.9489399 1.003438 3.1679764 7.1605486 1 26 + 11900 4.82398 1.0019946 3.1939566 7.1397869 1 21 + 12000 4.3531411 1.000532 2.8321416 7.6672501 1 23 + 12100 4.8226081 1.0018898 3.0382137 6.8343432 1 25 + 12200 4.7456418 1.0032116 2.9186038 7.3067818 1 20 + 12300 4.4280468 1.0005857 2.734593 8.0365684 1 22 + 12400 4.7311239 1.0000982 2.8898839 7.9231831 1 22 + 12500 4.7261054 1.0016127 2.9090517 7.6085854 1 24 + 12600 4.7719025 1.0016702 2.9736761 7.6101796 1 26 + 12700 4.386248 1.001394 2.8508378 6.4765102 1 28 + 12800 4.3313538 1.0019737 2.6258221 6.3164681 1 19 + 12900 4.2219861 1.0007469 2.5345699 7.0901077 1 22 + 13000 4.1775643 1.0011891 2.5807017 7.3579938 1 25 + 13100 4.3060837 1.0008671 2.5974066 6.9301328 1 22 + 13200 4.3529062 0.99996469 2.7571632 6.7806287 1 21 + 13300 4.2178709 1.000673 2.7819091 7.6449064 1 18 + 13400 4.2714169 1.0021294 2.7280794 8.0986691 1 18 + 13500 4.3430969 1.0037732 2.6768429 8.1267941 1 18 + 13600 4.3664374 1.0016083 2.6470186 6.2797727 1 20 + 13700 4.4904769 1.0008993 2.7885718 7.7410193 1 22 + 13800 4.2966193 1.001532 2.73862 7.9651302 1 21 + 13900 4.4003185 1.0009984 2.7484129 8.7160439 1 24 + 14000 4.5948292 1.0011748 2.9051777 7.842121 1 22 + 14100 4.6901122 1.0001265 2.9404111 8.9953816 1 20 + 14200 4.8517518 0.99998743 2.9647625 6.6450509 1 22 + 14300 4.889628 1.0018051 3.0891097 7.2671824 1 20 + 14400 4.578862 1.0010629 2.8239776 6.1317183 1 23 + 14500 4.0865406 1.0013917 2.5119661 6.864665 1 19 + 14600 4.30688 1.0009041 2.6817814 6.9007433 1 18 + 14700 4.1295726 1.002342 2.6032093 7.1441648 1 15 + 14800 4.2176021 1.0015157 2.7332903 6.8394683 1 16 + 14900 4.2012664 0.99986345 2.6498409 7.4568241 1 15 + 15000 4.6124269 1.0014751 2.9584178 7.9341875 1 16 + 15100 4.947327 1.0010615 3.0784409 7.6241305 1 21 + 15200 5.253281 1.002095 3.3093754 8.1872718 1 25 + 15300 5.2642369 1.0017799 3.1511136 7.4668389 1 25 + 15400 5.1967916 1.0029407 3.247548 8.0840111 1 23 + 15500 5.7465412 1.001896 3.468834 9.5990471 1 15 + 15600 6.2245772 1.0021086 3.6127689 7.8242016 1 19 + 15700 5.5626191 0.99984979 3.3893723 7.8124588 1 20 + 15800 5.5945727 1.0010291 3.3442448 7.0116922 1 17 + 15900 5.4450219 1.0006248 3.3132381 8.4803413 1 15 + 16000 5.7800459 1.001449 3.5002534 8.7989456 1 19 + 16100 6.1168718 1.0008109 3.8081142 8.0119729 1 18 + 16200 5.4901649 1.0020643 3.3673653 7.3483134 1 17 + 16300 5.4051694 1.0015652 3.3560012 7.4641983 1 19 + 16400 5.4237612 1.0012686 3.3816406 7.3845086 1 14 + 16500 5.1935593 1.001754 3.3340381 7.8607712 1 16 + 16600 5.539343 1.0021073 3.4164309 8.1541097 1 12 + 16700 5.8922923 1.0013792 3.553426 7.5220576 1 14 + 16800 5.956937 1.0005959 3.7630589 8.7417987 1 13 + 16900 5.469721 1.0016219 3.5531223 8.6721994 1 13 + 17000 5.3110154 1.001142 3.4167244 7.4644182 1 15 + 17100 5.9226035 0.99918238 4.0244287 6.5172028 1 16 + 17200 5.4897042 0.99981565 3.4350691 5.6840394 1 20 + 17300 5.4302636 1.0021571 3.421473 6.4317025 1 21 + 17400 5.5559131 1.0013807 3.4951403 6.874191 1 24 + 17500 5.4068006 1.0010448 3.4506835 7.7069504 1 22 + 17600 4.9283792 1.0007628 3.1736308 7.3098058 1 20 + 17700 4.9319722 0.99935896 3.0956257 8.2120111 1 15 + 17800 4.6842391 1.00037 2.9602433 7.4116352 1 17 + 17900 4.7714682 1.0009332 2.9666778 7.5925131 1 17 + 18000 4.7233188 1.0035687 3.0991778 7.1636357 1 10 + 18100 4.6487958 1.0020255 3.10781 6.8468658 1 12 + 18200 4.6284129 1.0012617 3.089724 6.3082275 1 13 + 18300 4.7136404 0.99962415 3.1261978 7.3359556 1 15 + 18400 5.0367681 1.0011016 3.2413493 8.3910633 1 14 + 18500 4.9658104 1.0025407 3.2420827 7.4701216 1 17 + 18600 4.6100059 1.0014508 3.0216884 6.553483 1 17 + 18700 4.3246452 1.0016721 2.7810363 6.7450293 1 19 + 18800 4.9415788 1.0012406 3.1661907 7.5544034 1 18 + 18900 5.3930915 1.000138 3.2557456 7.350955 1 21 + 19000 5.1938599 1.0007364 3.2398733 6.5397956 1 22 + 19100 5.4433048 1.0019191 3.2699245 8.3625772 1 22 + 19200 6.1303261 1.0004005 3.7823203 8.0537369 1 22 + 19300 5.5762518 1.0008117 3.5689121 8.3714373 1 22 + 19400 5.1316743 0.9999834 3.099381 7.405287 1 23 + 19500 5.2064799 1.0012007 3.3059455 7.3499127 1 25 + 19600 5.1650099 1.0023314 3.3759492 7.3637616 1 21 + 19700 5.8316278 1.0023317 3.601564 7.153887 1 19 + 19800 5.6435147 1.0010657 3.4967581 6.8899334 1 21 + 19900 5.4071193 0.99961357 3.4977894 6.1068438 1 20 + 20000 5.5058495 1.000982 3.5185057 8.5657603 1 19 + 20100 5.6551271 1.0025852 3.5672369 7.8242273 1 20 + 20200 5.7196886 1.002283 3.6010925 7.1449072 1 22 + 20300 5.5593553 1.0009987 3.4363398 8.4141755 1 21 + 20400 5.5550247 1.001081 3.3950874 8.0222131 1 20 + 20500 5.4510415 0.99997273 3.5505093 7.5243655 1 18 + 20600 5.8014064 1.0007611 3.8084579 7.6583499 1 18 + 20700 5.7337315 1.0020309 3.7973684 8.7376766 1 17 + 20800 5.2512898 0.99901254 3.5027763 7.8902791 1 14 + 20900 5.3245034 1.0014504 3.3354615 6.7030716 1 17 + 21000 5.2071731 1.0020459 3.3881369 5.8616999 1 20 + 21100 5.3187535 1.0010762 3.2845672 8.1422146 1 21 + 21200 5.5298545 0.99942313 3.4393978 7.1183144 1 22 + 21300 5.8430744 1.0008652 3.719408 7.8522038 1 20 + 21400 5.8190457 1.0017046 3.5624252 7.8150165 1 20 + 21500 6.004585 1.0035276 3.9161914 7.7719377 1 21 + 21600 6.7202635 0.99970072 3.9642141 8.7934294 1 18 + 21700 6.8590346 1.0007883 4.4285217 8.9014638 1 20 + 21800 6.627638 1.0012117 4.1154082 8.3153026 1 22 + 21900 7.8281047 1.0008299 4.8842343 8.4016227 1 20 + 22000 7.200038 1.0014681 4.4141419 9.4091956 1 18 + 22100 7.7442011 1.0018051 4.7850371 8.9885489 1 15 + 22200 7.4770203 1.0033558 4.7512643 8.4898148 1 17 + 22300 8.1080801 1.0000019 5.2725185 9.2314625 1 14 + 22400 7.8068311 1.0020672 4.9055683 8.4064748 1 12 + 22500 7.4594636 1.0008427 4.6586396 8.5102986 1 11 + 22600 6.9380609 1.0024634 4.2435619 10.395118 1 16 + 22700 6.9338066 1.001056 4.3436179 7.9126284 1 18 + 22800 6.8049493 1.0020052 4.1443407 7.8228868 1 18 + 22900 6.2280158 1.0021474 3.7695343 7.3179647 1 20 + 23000 5.649403 1.0017128 3.5941976 7.2964709 1 19 + 23100 5.3203116 1.001912 3.3807399 6.6454551 1 15 + 23200 5.8172882 1.0005742 3.6625896 8.4256312 1 15 + 23300 5.9647182 1.0015466 3.9106019 8.3303303 1 14 + 23400 5.9784055 1.0034542 3.7229235 7.7934273 1 14 + 23500 5.377627 1.00192 3.5481778 6.8195124 1 17 + 23600 5.4807136 1.0014662 3.563123 7.6356376 1 18 + 23700 5.8896329 1.0013553 3.7990694 8.5513408 1 13 + 23800 6.3463707 0.9999403 3.9609397 8.5741923 1 11 + 23900 6.656669 1.0014998 4.1993183 9.0862996 1 13 + 24000 7.583723 1.0025057 4.7628652 7.5007245 1 20 + 24100 6.9868359 1.0014089 4.4369841 7.692833 1 25 + 24200 7.1966062 1.0013149 4.4384528 9.5264821 1 18 + 24300 6.7765706 1.0007065 4.3500477 9.4974154 1 16 + 24400 7.0853466 1.0013246 4.409163 9.2215823 1 17 + 24500 6.9603823 1.0004247 4.4866051 7.7870058 1 20 + 24600 6.9208291 0.99953329 4.2298144 6.5732392 1 21 + 24700 6.5005518 1.0026848 4.0003505 7.8094715 1 22 + 24800 5.8421948 1.0012055 3.6686768 7.6078157 1 26 + 24900 5.8410604 1.0023428 3.746177 6.8971309 1 22 + 25000 5.8728511 1.0001747 3.7170134 7.4456816 1 19 + 25100 6.0217168 1.000624 3.7756108 6.6542452 1 20 + 25200 6.1939015 1.0017861 3.8943084 9.395821 1 25 + 25300 6.161998 1.0010373 3.9255122 6.2228884 1 28 + 25400 5.5850406 1.0018505 3.5129832 7.2551309 1 24 + 25500 6.0286276 1.0009028 3.8580887 6.8065265 1 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27 + 42700 13.986613 1.001458 8.5544184 10.765136 1 29 + 42800 13.240256 1.0027899 8.2014429 10.506497 1 32 + 42900 12.784336 1.0001406 8.0823431 12.258209 1 33 + 43000 13.374145 1.0012996 8.4207155 10.32817 1 31 + 43100 13.142334 1.0022503 8.5908808 10.152205 1 32 + 43200 12.669284 1.0018944 7.8511966 10.580104 1 32 + 43300 13.155032 1.001144 8.0337768 10.6652 1 39 + 43400 12.155928 1.0019472 7.5886584 11.234772 1 35 + 43500 12.385603 1.0007639 7.8865245 9.3868914 1 32 + 43600 12.236179 1.0027456 7.7521353 10.456701 1 42 + 43700 11.49535 1.0008758 7.3633144 8.8490079 1 40 + 43800 11.469157 1.0015845 7.0035577 10.594522 1 41 + 43900 11.228266 1.0013014 7.0137223 8.0653711 1 38 + 44000 10.56742 1.0016631 6.6908938 8.1094154 1 35 + 44100 9.8964699 1.0008351 6.3550438 8.6578181 1 36 + 44200 9.041539 1.0019541 5.6721401 8.6518043 1 38 + 44300 9.0767434 1.0034191 5.7446596 8.3838528 1 38 + 44400 9.2299608 1.0019526 5.7117964 8.3106491 1 37 + 44500 9.458981 1.0030409 5.7612138 7.7679755 1 37 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46500 7.3564658 1.0006114 4.6762189 7.34947 1 26 + 46600 7.2261291 1.0005569 4.4751221 6.5847138 1 27 + 46700 7.2943203 1.0020164 4.3335327 7.7296507 1 25 + 46800 8.5849411 1.0014634 5.4501531 9.0933014 1 25 + 46900 10.176752 1.0023799 6.0456779 9.4050423 1 16 + 47000 9.1913098 1.0029076 5.7577256 9.1826215 1 22 + 47100 9.5479771 1.0022102 6.1100973 8.9440056 1 28 + 47200 9.9944172 1.0004924 6.3649417 9.1507264 1 25 + 47300 9.3543283 1.0013246 6.0873147 10.41657 1 24 + 47400 8.594101 1.0020068 5.6864295 9.2388304 1 24 + 47500 9.3191964 1.002411 6.0537511 9.3506828 1 23 + 47600 8.1615734 1.001364 5.3757905 10.303962 1 30 + 47700 8.3615046 1.0003075 5.2727936 9.3162209 1 32 + 47800 8.3566467 1.0026031 5.4379524 7.7644422 1 33 + 47900 8.4062556 1.0006471 5.3098736 8.0181121 1 33 + 48000 8.2233307 1.0012304 4.9650027 9.2644288 1 34 + 48100 8.4495256 1.000088 4.9940422 10.01023 1 27 + 48200 8.8068097 1.0014275 5.4732649 8.410093 1 31 + 48300 8.0008187 1.0017459 4.7732764 9.25726 1 27 + 48400 7.7242529 1.0026909 4.9084505 8.7147295 1 30 + 48500 8.3752816 1.001333 5.1071228 8.2267308 1 32 + 48600 9.0777805 1.0019328 5.7331841 9.6679383 1 29 + 48700 9.3623061 1.0001767 5.7117062 8.396895 1 25 + 48800 8.1186637 1.0013185 5.2697427 8.6058372 1 27 + 48900 7.3685497 1.0007173 4.6097553 7.8047228 1 24 + 49000 7.1661421 1.0023152 4.5389038 8.8759552 1 22 + 49100 6.9857144 1.0016394 4.6489319 8.2022359 1 24 + 49200 6.7160336 1.0018413 4.2488082 8.3393245 1 25 + 49300 7.9703755 1.0010628 5.2328567 7.968278 1 28 + 49400 8.2628465 1.0010877 5.2292977 8.0196533 1 27 + 49500 8.1436558 1.0015175 5.0344712 8.0712037 1 30 + 49600 8.5182498 1.0021589 5.1029028 8.6869789 1 28 + 49700 8.3604444 1.0015016 5.0333696 9.4861656 1 25 + 49800 7.336335 1.0020055 4.6365173 8.7210022 1 30 + 49900 7.432996 1.0016415 4.7090587 8.7033033 1 29 + 50000 7.4937053 1.001014 4.7212573 9.0890363 1 29 +Loop time of 999.576 on 8 procs for 40000 steps with 16271 atoms + +Performance: 3457.466 tau/day, 40.017 timesteps/s, 651.116 katom-step/s +99.3% CPU use with 8 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 293.48 | 403.7 | 545.29 | 357.5 | 40.39 +Neigh | 2.4176 | 3.2721 | 3.8303 | 25.2 | 0.33 +Comm | 163.58 | 305.88 | 419.83 | 416.7 | 30.60 +Output | 0.032483 | 0.034794 | 0.040514 | 1.2 | 0.00 +Modify | 281.15 | 285.67 | 293.8 | 24.3 | 28.58 +Other | | 1.023 | | | 0.10 + +Nlocal: 2033.88 ave 2657 max 1198 min +Histogram: 2 0 0 0 0 2 1 0 1 2 +Nghost: 1628.12 ave 1719 max 1569 min +Histogram: 2 0 1 1 2 1 0 0 0 1 +Neighs: 13566 ave 18212 max 8488 min +Histogram: 1 0 0 1 2 1 2 0 0 1 + +Total # of neighbors = 108528 +Ave neighs/atom = 6.6700264 +Neighbor list builds = 2447 +Dangerous builds = 2 +Total wall time: 0:19:22 diff --git a/examples/ASPHERE/tri/log.1Feb14.tri.srd.g++.8 b/examples/ASPHERE/tri/log.1Feb14.tri.srd.g++.8 deleted file mode 100644 index 135eecb1e5..0000000000 --- a/examples/ASPHERE/tri/log.1Feb14.tri.srd.g++.8 +++ /dev/null @@ -1,243 +0,0 @@ -LAMMPS (1 Feb 2014) -# Aspherical shear demo - 3d triangle boxes, solvated by SRD particles - -units lj -atom_style tri -atom_modify first big - -read_data data.tri.srd - orthogonal box = (-8.43734 -8.43734 -8.43734) to (8.43734 8.43734 8.43734) - 2 by 2 by 2 MPI processor grid - reading atoms ... - 1500 atoms - 1500 triangles - -# add small particles as hi density lattice - -lattice sc 0.4 -Lattice spacing in x,y,z = 1.35721 1.35721 1.35721 -region box block INF INF INF INF INF INF -lattice sc 20.0 -Lattice spacing in x,y,z = 0.368403 0.368403 0.368403 -create_atoms 2 region box -Created 91125 atoms - -group big type 1 -1500 atoms in group big -group small type 2 -91125 atoms in group small -set group small mass 0.01 - 91125 settings made for mass - -# delete overlaps -# must set 1-2 cutoff to non-zero value - -pair_style lj/cut 1.5 -pair_coeff 1 1 1.0 1.0 -pair_coeff 2 2 0.0 1.0 0.0 -pair_coeff 1 2 0.0 1.0 - -delete_atoms overlap 1.5 small big -Deleted 76354 atoms, new total = 16271 - -# SRD run - -reset_timestep 0 - -velocity small create 1.44 87287 loop geom - -neighbor 0.3 bin -neigh_modify delay 0 every 1 check yes -neigh_modify exclude molecule big include big - -communicate multi group big vel yes -neigh_modify include big - -# no pairwise interactions with small particles - -pair_style tri/lj 3.5 -pair_coeff 1 1 0.1 1.0 -pair_coeff 2 2 0.0 1.0 0.0 -pair_coeff 1 2 0.0 1.0 0.0 - -# use fix SRD to push small particles out from inside big ones -# if comment out, big particles won't see SRD particles - -timestep 0.001 - -fix 1 big rigid molecule #langevin 1.0 1.0 0.1 12398 -125 rigid bodies with 1500 atoms -fix 2 small srd 20 big 1.0 0.25 49894 search 0.2 cubic warn 0.0001 shift yes 49829 overlap yes collision noslip - -fix 3 all deform 1 x scale 0.6 y scale 0.6 z scale 0.6 - -# diagnostics - -compute tsmall small temp/deform -compute tbig big temp -variable pebig equal pe*atoms/count(big) -variable ebig equal etotal*atoms/count(big) - -compute 1 big erotate/asphere -compute 2 all ke -compute 3 all pe -variable toteng equal (c_1+c_2+c_3)/atoms - -thermo 1000 -thermo_style custom step f_1 c_tsmall f_2[9] temp press -thermo_modify temp tbig -WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:439) - -compute 10 all property/atom corner1x corner1y corner1z corner2x corner2y corner2z corner3x corner3y corner3z - -#dump 1 all custom 500 dump1.atom.srd id type x y z ix iy iz -#dump 2 all custom 500 dump1.tri.srd id type # c_10[1] c_10[2] c_10[3] c_10[4] c_10[5] c_10[6] # c_10[7] c_10[8] c_10[9] - -run 10000 -WARNING: Using fix srd with box deformation but no SRD thermostat (../fix_srd.cpp:385) -SRD info: - SRD/big particles = 14771 1500 - big particle diameter max/min = 1.46014 0.436602 - SRD temperature & lamda = 1 0.2 - SRD max distance & max velocity = 0.8 40 - SRD grid counts: 67 67 67 - SRD grid size: request, actual (xyz) = 0.25, 0.251861 0.251861 0.251861 - SRD per actual grid cell = 0.0647662 - SRD viscosity = -1.09837 - big/SRD mass density ratio = 24.668 -WARNING: SRD bin size for fix srd differs from user request (../fix_srd.cpp:2853) -WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2875) -WARNING: Fix srd viscosity < 0.0 due to low SRD density (../fix_srd.cpp:2877) - # of rescaled SRD velocities = 0 - ave/max small velocity = 19.9708 35.1504 - ave/max big velocity = 0 0 -WARNING: Using compute temp/deform with inconsistent fix deform remap option (../compute_temp_deform.cpp:76) -Memory usage per processor = 116.135 Mbytes -Step 1 tsmall 2[9] Temp Press - 0 0 1.4405441 0 0 -0.15917996 - 1000 1.0535509 1.1241378 1.1224038 0 0.15526438 - 2000 2.4635987 1.0240667 0.94231519 0 0.011069846 - 3000 3.1093028 1.0070585 1.0176028 0 0.34124888 - 4000 2.9524179 1.0101774 1.0311733 0 -0.22118101 - 5000 2.9175438 1.0109144 1.0284445 0 0.1839507 - 6000 3.3200928 0.99108983 0.95968219 0 1.0229339 - 7000 3.3020156 0.99661428 0.98000621 0 2.3333851 - 8000 4.1500999 0.99129645 0.99723707 0 4.3054414 - 9000 6.537028 1.0074533 1.0251098 0 18.782913 - 10000 16.233245 1.0145766 1.0219787 0 147.83787 -Loop time of 228.558 on 8 procs for 10000 steps with 16271 atoms - -Pair time (%) = 145.018 (63.4492) -Neigh time (%) = 32.6283 (14.2757) -Comm time (%) = 43.3283 (18.9572) -Outpt time (%) = 0.000848889 (0.00037141) -Other time (%) = 7.58254 (3.31755) - -Nlocal: 2033.88 ave 2092 max 1902 min -Histogram: 1 0 0 0 1 1 0 1 1 3 -Nghost: 2805 ave 2855 max 2751 min -Histogram: 1 0 2 1 0 0 0 2 1 1 -Neighs: 30026.5 ave 38700 max 24367 min -Histogram: 1 0 2 1 3 0 0 0 0 1 - -Total # of neighbors = 240212 -Ave neighs/atom = 14.7632 -Neighbor list builds = 501 -Dangerous builds = 0 - -#undump 1 -#undump 2 -unfix 3 - -change_box all triclinic - triclinic box = (-5.0624 -5.0624 -5.0624) to (5.0624 5.0624 5.0624) with tilt (0 0 0) - -fix 2 small srd 20 big 1.0 0.25 49894 search 0.2 cubic warn 0.0001 shift yes 49829 overlap yes collision noslip tstat yes - -#dump 1 all custom 500 dump2.atom.srd id type x y z ix iy iz -#dump 2 all custom 500 dump2.tri.srd id type # c_10[1] c_10[2] c_10[3] c_10[4] c_10[5] c_10[6] # c_10[7] c_10[8] c_10[9] - -fix 3 all deform 1 xy erate 0.05 units box remap v - -run 40000 -SRD info: - SRD/big particles = 14771 1500 - big particle diameter max/min = 1.46014 0.436602 - SRD temperature & lamda = 1 0.2 - SRD max distance & max velocity = 0.8 40 - SRD grid counts: 40 40 40 - SRD grid size: request, actual (xyz) = 0.25, 0.25312 0.25312 0.25312 - SRD per actual grid cell = -1.93929 - SRD viscosity = -0.36972 - big/SRD mass density ratio = -0.836253 -WARNING: SRD bin size for fix srd differs from user request (../fix_srd.cpp:2853) -WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2875) -WARNING: Fix srd viscosity < 0.0 due to low SRD density (../fix_srd.cpp:2877) - # of rescaled SRD velocities = 1 - ave/max small velocity = 16.0639 40 - ave/max big velocity = 2.05735 6.73052 -Memory usage per processor = 65.2471 Mbytes -Step 1 tsmall 2[9] Temp Press - 10000 16.233245 1.0144194 0 0 146.27032 - 11000 17.301043 1.0619209 1 0 84.226323 - 12000 13.481177 1.063945 1 0 80.42834 - 13000 12.616615 1.0536125 1 0 68.365053 - 14000 12.16592 1.0581344 1 0 59.709941 - 15000 10.811557 1.0650453 1 0 59.869798 - 16000 9.9303081 1.0641012 1 0 59.289126 - 17000 10.452639 1.0589904 1 0 52.680235 - 18000 9.2488947 1.0556713 1 0 51.044123 - 19000 8.7179788 1.0566791 1 0 50.927924 - 20000 7.8641299 1.0668891 1 0 53.961014 - 21000 8.4333975 1.0628003 1 0 54.677068 - 22000 8.554623 1.0591872 1 0 51.784737 - 23000 7.895462 1.0598512 1 0 53.26885 - 24000 7.7014869 1.055569 1 0 54.236941 - 25000 7.508138 1.0581539 1 0 53.297709 - 26000 8.0707381 1.0586451 1 0 51.411341 - 27000 8.224223 1.0585509 1 0 52.775784 - 28000 8.8720461 1.0648837 1 0 49.681447 - 29000 8.503895 1.0538278 1 0 52.478556 - 30000 8.2272425 1.0625583 1 0 52.795709 - 31000 8.4626161 1.0599557 1 0 52.905343 - 32000 7.7410527 1.0587681 1 0 57.464472 - 33000 7.2765481 1.0677531 1 0 59.46728 - 34000 7.036016 1.0640728 1 0 60.636828 - 35000 8.497203 1.0577458 1 0 55.257312 - 36000 8.9218761 1.0585038 1 0 55.668201 - 37000 8.0469115 1.0561193 1 0 58.711565 - 38000 8.6456966 1.0663818 1 0 53.691658 - 39000 8.566667 1.0616928 1 0 52.866468 - 40000 7.7081259 1.0577046 1 0 54.105829 - 41000 7.4051952 1.0570277 1 0 56.094997 - 42000 7.331432 1.0632261 1 0 55.661067 - 43000 7.5587053 1.0602077 1 0 54.30762 - 44000 7.4521497 1.0594391 1 0 52.993548 - 45000 7.6234559 1.0641992 1 0 53.352202 - 46000 8.0659693 1.0609367 1 0 50.302682 - 47000 7.5227882 1.0563543 1 0 50.43551 - 48000 8.0798684 1.0628968 1 0 48.419201 - 49000 7.130784 1.0594143 1 0 50.656081 - 50000 7.3219268 1.0608236 1 0 54.808358 -Loop time of 1651.84 on 8 procs for 40000 steps with 16271 atoms - -Pair time (%) = 1232.76 (74.6296) -Neigh time (%) = 171.893 (10.4061) -Comm time (%) = 193.625 (11.7218) -Outpt time (%) = 0.00338289 (0.000204795) -Other time (%) = 53.5578 (3.24231) - -Nlocal: 2033.88 ave 2229 max 1953 min -Histogram: 2 1 2 2 0 0 0 0 0 1 -Nghost: 2757.88 ave 2810 max 2692 min -Histogram: 1 1 1 0 1 0 0 1 1 2 -Neighs: 30098.6 ave 37369 max 25592 min -Histogram: 1 3 0 1 0 1 1 0 0 1 - -Total # of neighbors = 240789 -Ave neighs/atom = 14.7987 -Neighbor list builds = 2007 -Dangerous builds = 0 - -Please see the log.cite file for references relevant to this simulation - diff --git a/examples/COUPLE/plugin/CMakeLists.txt b/examples/COUPLE/plugin/CMakeLists.txt index f4064d3f65..00f86058fb 100644 --- a/examples/COUPLE/plugin/CMakeLists.txt +++ b/examples/COUPLE/plugin/CMakeLists.txt @@ -1,9 +1,8 @@ -########################################## -# CMake build system for coupling to the LAMMPS library +# -*- CMake -*- file for example programs that use the LAMMPS library # where the library is loaded dynamically at runtime. ########################################## -cmake_minimum_required(VERSION 3.10) +cmake_minimum_required(VERSION 3.16) # enforce out-of-source build if(${CMAKE_SOURCE_DIR} STREQUAL ${CMAKE_BINARY_DIR}) @@ -23,9 +22,7 @@ endif() # and prints lots of pointless warnings about "unsafe" functions if(MSVC) if(CMAKE_C_COMPILER_ID STREQUAL "MSVC") - if(LAMMPS_EXCEPTIONS) - add_compile_options(/EHsc) - endif() + add_compile_options(/EHsc) endif() add_compile_definitions(_CRT_SECURE_NO_WARNINGS) endif() diff --git a/examples/COUPLE/plugin/liblammpsplugin.h b/examples/COUPLE/plugin/liblammpsplugin.h index 1520ef638d..271f6b9b20 100644 --- a/examples/COUPLE/plugin/liblammpsplugin.h +++ b/examples/COUPLE/plugin/liblammpsplugin.h @@ -239,7 +239,7 @@ struct _liblammpsplugin { void (*free)(void *); - void (*is_running)(void *); + int (*is_running)(void *); void (*force_timeout)(void *); int (*has_error)(void *); diff --git a/examples/COUPLE/simple/CMakeLists.txt b/examples/COUPLE/simple/CMakeLists.txt index 14c253e5a1..c09b372183 100644 --- a/examples/COUPLE/simple/CMakeLists.txt +++ b/examples/COUPLE/simple/CMakeLists.txt @@ -1,4 +1,6 @@ -cmake_minimum_required(VERSION 3.10) +# -*- CMake -*- file for simple examples using the LAMMPS library interface + +cmake_minimum_required(VERSION 3.16) # enforce out-of-source build if(${CMAKE_SOURCE_DIR} STREQUAL ${CMAKE_BINARY_DIR}) @@ -18,9 +20,7 @@ endif() # and prints lots of pointless warnings about "unsafe" functions if(MSVC) if(CMAKE_C_COMPILER_ID STREQUAL "MSVC") - if(LAMMPS_EXCEPTIONS) - add_compile_options(/EHsc) - endif() + add_compile_options(/EHsc) endif() add_compile_definitions(_CRT_SECURE_NO_WARNINGS) endif() diff --git a/examples/PACKAGES/hdnnp/in.hdnnp b/examples/PACKAGES/hdnnp/in.hdnnp index 79edc605be..ccf399a0a0 100644 --- a/examples/PACKAGES/hdnnp/in.hdnnp +++ b/examples/PACKAGES/hdnnp/in.hdnnp @@ -39,7 +39,7 @@ fix INT all nve ############################################################################### # OUTPUT ############################################################################### -dump 1 all atom 1 dump.hdnnp +# dump 1 all atom 1 dump.hdnnp ############################################################################### # SIMULATION diff --git a/examples/PACKAGES/hdnnp/in.hybrid b/examples/PACKAGES/hdnnp/in.hybrid new file mode 100644 index 0000000000..bfce2e4cde --- /dev/null +++ b/examples/PACKAGES/hdnnp/in.hybrid @@ -0,0 +1,53 @@ +############################################################################### +# MD simulation for HDNNP water +############################################################################### + +############################################################################### +# VARIABLES +############################################################################### +clear +# Configuration files +variable cfgFile string "data.H2O-360mol" +# Timesteps +variable numSteps equal 10 +variable dt equal 0.0005 +# HDNNP +variable hdnnpCutoff equal 6.36 +variable hdnnpDir string "hdnnp-data" + +############################################################################### +# GENERAL SETUP +############################################################################### +units metal +boundary p p p +atom_style atomic +region box block 0.0 2.2695686722465727E+01 0.0 2.3586033624598713E+01 0.0 2.2237130028217017E+01 +create_box 3 box + +mass 1 1.0 + +read_data ${cfgFile} add append offset 1 0 0 0 0 +timestep ${dt} +thermo 1 + +############################################################################### +# HDNNP +############################################################################### +pair_style hybrid lj/cut 6.0 hdnnp ${hdnnpCutoff} dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_coeff * * hdnnp NULL H O +pair_coeff 1 * lj/cut 0.1 3.0 + +############################################################################### +# INTEGRATOR +############################################################################### +fix INT all nve + +############################################################################### +# OUTPUT +############################################################################### +#dump 1 all atom 1 dump.hdnnp + +############################################################################### +# SIMULATION +############################################################################### +run ${numSteps} diff --git a/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 b/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 new file mode 100644 index 0000000000..600e7033f0 --- /dev/null +++ b/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 @@ -0,0 +1,667 @@ +LAMMPS (2 Aug 2023 - Development - patch_2Aug2023-264-g174825fe8c) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +############################################################################### +# MD simulation for HDNNP water +############################################################################### + +############################################################################### +# VARIABLES +############################################################################### +clear +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Configuration files +variable cfgFile string "data.H2O-360mol" +# Timesteps +variable numSteps equal 10 +variable dt equal 0.0005 +# HDNNP +variable hdnnpCutoff equal 6.36 +variable hdnnpDir string "hdnnp-data" + +############################################################################### +# GENERAL SETUP +############################################################################### +units metal +boundary p p p +atom_style atomic +read_data ${cfgFile} +read_data data.H2O-360mol +Reading data file ... + orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 1080 atoms + read_data CPU = 0.004 seconds +timestep ${dt} +timestep 0.0005 +thermo 1 + +############################################################################### +# HDNNP +############################################################################### +pair_style hdnnp ${hdnnpCutoff} dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hdnnp 6.36 dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hdnnp 6.36 dir hdnnp-data showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_coeff * * H O + +############################################################################### +# INTEGRATOR +############################################################################### +fix INT all nve + +############################################################################### +# OUTPUT +############################################################################### +# dump 1 all atom 1 dump.hdnnp + +############################################################################### +# SIMULATION +############################################################################### +run ${numSteps} +run 10 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- ML-HDNNP package: doi:10.1021/acs.jctc.8b00770 + +@Article{Singraber19, + author = {Singraber, Andreas and Behler, J{"o}rg and Dellago, Christoph}, + title = {Library-Based {LAMMPS} Implementation of High-Dimensional + Neural Network Potentials}, + year = {2019}, + month = mar, + volume = {15}, + pages = {1827--1840}, + doi = {10.1021/acs.jctc.8b00770}, + journal = {J.~Chem.\ Theory Comput.}, + number = {3} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + + +******************************************************************************* + +WELCOME TO n²p², A SOFTWARE PACKAGE FOR NEURAL NETWORK POTENTIALS! +------------------------------------------------------------------ + +n²p² version (from git): patch_2Aug2023-264-g174825fe8c + (version.h): v2.2.0 +------------------------------------------------------------ +Git branch : collected-small-changes +Git revision : 174825fe8c9493cb252d7b9e8dafdcc5d74be96d +Compile date/time : Aug 23 2023 08:43:11 +------------------------------------------------------------ + +Features/Flags: +------------------------------------------------------------ +Symmetry function groups : enabled +Symmetry function cache : enabled +Timing function available : available +Asymmetric polynomial SFs : available +SF low neighbor number check : enabled +SF derivative memory layout : reduced +MPI explicitly disabled : no +------------------------------------------------------------ + +Please cite the following papers when publishing results obtained with n²p²: +------------------------------------------------------------------------------- + * General citation for n²p² and the LAMMPS interface: + + Singraber, A.; Behler, J.; Dellago, C. + Library-Based LAMMPS Implementation of High-Dimensional + Neural Network Potentials. + J. Chem. Theory Comput. 2019 15 (3), 1827–1840. + https://doi.org/10.1021/acs.jctc.8b00770 +------------------------------------------------------------------------------- + * Additionally, if you use the NNP training features of n²p²: + + Singraber, A.; Morawietz, T.; Behler, J.; Dellago, C. + Parallel Multistream Training of High-Dimensional Neural + Network Potentials. + J. Chem. Theory Comput. 2019, 15 (5), 3075–3092. + https://doi.org/10.1021/acs.jctc.8b01092 +------------------------------------------------------------------------------- + * Additionally, if polynomial symmetry functions are used: + + Bircher, M. P.; Singraber, A.; Dellago, C. + Improved Description of Atomic Environments Using Low-Cost + Polynomial Functions with Compact Support. + arXiv:2010.14414 [cond-mat, physics:physics] 2020. + https://arxiv.org/abs/2010.14414 +******************************************************************************* + +*** SETUP: SETTINGS FILE ****************************************************** + +Settings file name: hdnnp-data/input.nn +Read 120 lines. +Found 70 lines with keywords. +This settings file defines a short-range only NNP. +******************************************************************************* + +*** SETUP: NORMALIZATION ****************************************************** + +Data set normalization is used. +Mean energy per atom : -2.5521343547039809E+01 +Conversion factor energy : 2.4265748255366972E+02 +Conversion factor length : 5.8038448995319847E+00 +******************************************************************************* + +*** SETUP: ELEMENT MAP ******************************************************** + +Number of element strings found: 2 +Element 0: H ( 1) +Element 1: O ( 8) +******************************************************************************* + +*** SETUP: ELEMENTS *********************************************************** + +Number of elements is consistent: 2 +Atomic energy offsets per element: +Element 0: 0.00000000E+00 +Element 1: 0.00000000E+00 +Energy offsets are automatically subtracted from reference energies. +******************************************************************************* + +*** SETUP: CUTOFF FUNCTIONS *************************************************** + +Parameter alpha for inner cutoff: 0.000000 +Inner cutoff = Symmetry function cutoff * alpha +Equal cutoff function type for all symmetry functions: +CutoffFunction::CT_TANHU (2) +f(r) = tanh^3(1 - r/rc) +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTIONS ************************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. + +Short range atomic symmetry functions element H : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 51 + 2 H 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 61 + 3 H 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 52 + 4 H 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 62 + 5 H 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 53 + 6 H 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 63 + 7 H 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 54 + 8 H 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 64 + 9 H 2 ct2 O 1.500E-01 9.000E-01 1.200E+01 0.00 65 + 10 H 2 ct2 H 1.500E-01 1.900E+00 1.200E+01 0.00 55 + 11 H 2 ct2 O 3.000E-01 9.000E-01 1.200E+01 0.00 66 + 12 H 2 ct2 H 3.000E-01 1.900E+00 1.200E+01 0.00 56 + 13 H 2 ct2 O 6.000E-01 9.000E-01 1.200E+01 0.00 67 + 14 H 2 ct2 H 6.000E-01 1.900E+00 1.200E+01 0.00 57 + 15 H 2 ct2 O 1.500E+00 9.000E-01 1.200E+01 0.00 68 + 16 H 2 ct2 H 1.500E+00 1.900E+00 1.200E+01 0.00 58 + 17 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 115 + 18 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 114 + 19 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 105 + 20 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 103 + 21 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 100 + 22 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 113 + 23 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 98 + 24 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 112 + 25 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 95 + 26 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 93 + 27 H 3 ct2 H O 2.000E-01 0.000E+00 1.200E+01 1 1.0 0.00 90 +------------------------------------------------------------------------------------------------- +Short range atomic symmetry functions element O : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 70 + 2 O 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 80 + 3 O 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 71 + 4 O 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 81 + 5 O 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 72 + 6 O 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 82 + 7 O 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 73 + 8 O 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 83 + 9 O 2 ct2 H 1.500E-01 9.000E-01 1.200E+01 0.00 74 + 10 O 2 ct2 O 1.500E-01 4.000E+00 1.200E+01 0.00 84 + 11 O 2 ct2 H 3.000E-01 9.000E-01 1.200E+01 0.00 75 + 12 O 2 ct2 O 3.000E-01 4.000E+00 1.200E+01 0.00 85 + 13 O 2 ct2 H 6.000E-01 9.000E-01 1.200E+01 0.00 76 + 14 O 2 ct2 O 6.000E-01 4.000E+00 1.200E+01 0.00 86 + 15 O 2 ct2 H 1.500E+00 9.000E-01 1.200E+01 0.00 77 + 16 O 2 ct2 O 1.500E+00 4.000E+00 1.200E+01 0.00 87 + 17 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 110 + 18 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 120 + 19 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 109 + 20 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 119 + 21 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 104 + 22 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 102 + 23 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 99 + 24 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 108 + 25 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 118 + 26 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 97 + 27 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 107 + 28 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 117 + 29 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 94 + 30 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 92 +------------------------------------------------------------------------------------------------- +Minimum cutoff radius for element H: 12.000000 +Minimum cutoff radius for element O: 12.000000 +Maximum cutoff radius (global) : 12.000000 +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION MEMORY ******************************************* + +Symmetry function derivatives memory table for element H : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 15 of 27 ( 55.6 %) +- O: 19 of 27 ( 70.4 %) +------------------------------------------------------------------------------- +Symmetry function derivatives memory table for element O : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 18 of 30 ( 60.0 %) +- O: 16 of 30 ( 53.3 %) +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION CACHE ******************************************** + +Element H: in total 4 caches, used 17.00 times on average. +Element O: in total 4 caches, used 17.00 times on average. +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION GROUPS ******************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. +mi ..... Member index. +sfi .... Symmetry function index. +e ...... Recalculate exponential term. + +Short range atomic symmetry function groups element H : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 51 1 1 + - - - - - 1.000E-02 0.000E+00 - - 52 2 3 + - - - - - 3.000E-02 0.000E+00 - - 53 3 5 + - - - - - 6.000E-02 0.000E+00 - - 54 4 7 + - - - - - 1.500E-01 1.900E+00 - - 55 5 10 + - - - - - 3.000E-01 1.900E+00 - - 56 6 12 + - - - - - 6.000E-01 1.900E+00 - - 57 7 14 + - - - - - 1.500E+00 1.900E+00 - - 58 8 16 + 2 H 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 61 1 2 + - - - - - 1.000E-02 0.000E+00 - - 62 2 4 + - - - - - 3.000E-02 0.000E+00 - - 63 3 6 + - - - - - 6.000E-02 0.000E+00 - - 64 4 8 + - - - - - 1.500E-01 9.000E-01 - - 65 5 9 + - - - - - 3.000E-01 9.000E-01 - - 66 6 11 + - - - - - 6.000E-01 9.000E-01 - - 67 7 13 + - - - - - 1.500E+00 9.000E-01 - - 68 8 15 + 3 H 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 105 1 19 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 103 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 100 3 21 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 98 4 23 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 95 5 25 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 93 6 26 0 + - - - - - - 2.000E-01 0.000E+00 - 1 1.0 - 90 7 27 1 + 4 H 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 115 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 114 2 18 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 113 3 22 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 112 4 24 0 +---------------------------------------------------------------------------------------------------------- +Short range atomic symmetry function groups element O : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 70 1 1 + - - - - - 1.000E-02 0.000E+00 - - 71 2 3 + - - - - - 3.000E-02 0.000E+00 - - 72 3 5 + - - - - - 6.000E-02 0.000E+00 - - 73 4 7 + - - - - - 1.500E-01 9.000E-01 - - 74 5 9 + - - - - - 3.000E-01 9.000E-01 - - 75 6 11 + - - - - - 6.000E-01 9.000E-01 - - 76 7 13 + - - - - - 1.500E+00 9.000E-01 - - 77 8 15 + 2 O 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 80 1 2 + - - - - - 1.000E-02 0.000E+00 - - 81 2 4 + - - - - - 3.000E-02 0.000E+00 - - 82 3 6 + - - - - - 6.000E-02 0.000E+00 - - 83 4 8 + - - - - - 1.500E-01 4.000E+00 - - 84 5 10 + - - - - - 3.000E-01 4.000E+00 - - 85 6 12 + - - - - - 6.000E-01 4.000E+00 - - 86 7 14 + - - - - - 1.500E+00 4.000E+00 - - 87 8 16 + 3 O 3 ct2 H H * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 104 1 21 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 102 2 22 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 99 3 23 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 97 4 26 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 94 5 29 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 92 6 30 0 + 4 O 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 110 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 109 2 19 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 108 3 24 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 107 4 27 0 + 5 O 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 120 1 18 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 119 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 118 3 25 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 117 4 28 0 +---------------------------------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: NEURAL NETWORKS **************************************************** + +Normalize neurons (all elements): 0 +------------------------------------------------------------------------------- +Atomic short range NN for element H : +Number of weights : 1325 +Number of biases : 51 +Number of connections: 1376 +Architecture 27 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G +------------------------------------------------------------------------------- +Atomic short range NN for element O : +Number of weights : 1400 +Number of biases : 51 +Number of connections: 1451 +Architecture 30 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G + 28 G + 29 G + 30 G +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION SCALING ****************************************** + +Equal scaling type for all symmetry functions: +Scaling type::ST_SCALECENTER (3) +Gs = Smin + (Smax - Smin) * (G - Gmean) / (Gmax - Gmin) +Smin = 0.000000 +Smax = 1.000000 +Symmetry function scaling statistics from file: hdnnp-data/scaling.data +------------------------------------------------------------------------------- + +Abbreviations: +-------------- +ind ..... Symmetry function index. +min ..... Minimum symmetry function value. +max ..... Maximum symmetry function value. +mean .... Mean symmetry function value. +sigma ... Standard deviation of symmetry function values. +sf ...... Scaling factor for derivatives. +Smin .... Desired minimum scaled symmetry function value. +Smax .... Desired maximum scaled symmetry function value. +t ....... Scaling type. + +Scaling data for symmetry functions element H : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.09E+00 9.62E+00 2.27E+00 6.79E-01 1.17E-01 0.00 1.00 3 + 2 7.33E-01 5.00E+00 1.33E+00 3.39E-01 2.34E-01 0.00 1.00 3 + 3 7.60E-01 7.14E+00 1.65E+00 5.08E-01 1.57E-01 0.00 1.00 3 + 4 5.48E-01 3.77E+00 1.02E+00 2.54E-01 3.11E-01 0.00 1.00 3 + 5 4.01E-01 4.15E+00 9.09E-01 2.98E-01 2.67E-01 0.00 1.00 3 + 6 3.62E-01 2.27E+00 6.49E-01 1.48E-01 5.25E-01 0.00 1.00 3 + 7 1.89E-01 2.23E+00 4.57E-01 1.60E-01 4.90E-01 0.00 1.00 3 + 8 2.67E-01 1.32E+00 4.24E-01 8.05E-02 9.49E-01 0.00 1.00 3 + 9 2.45E-01 9.48E-01 3.62E-01 5.30E-02 1.42E+00 0.00 1.00 3 + 10 2.22E-01 2.76E+00 5.39E-01 2.01E-01 3.94E-01 0.00 1.00 3 + 11 1.47E-01 5.56E-01 2.68E-01 2.62E-02 2.45E+00 0.00 1.00 3 + 12 9.91E-02 1.73E+00 2.96E-01 1.16E-01 6.14E-01 0.00 1.00 3 + 13 6.51E-02 3.45E-01 1.85E-01 1.97E-02 3.57E+00 0.00 1.00 3 + 14 3.17E-02 9.13E-01 1.50E-01 5.35E-02 1.13E+00 0.00 1.00 3 + 15 2.92E-03 2.65E-01 7.65E-02 1.88E-02 3.82E+00 0.00 1.00 3 + 16 3.21E-04 2.87E-01 4.58E-02 2.33E-02 3.49E+00 0.00 1.00 3 + 17 2.47E-04 1.38E-01 1.77E-02 9.75E-03 7.23E+00 0.00 1.00 3 + 18 5.10E-03 5.83E-01 2.39E-02 3.78E-02 1.73E+00 0.00 1.00 3 + 19 3.23E-04 2.16E-01 1.71E-02 1.40E-02 4.63E+00 0.00 1.00 3 + 20 4.96E-02 1.69E+00 1.45E-01 1.10E-01 6.11E-01 0.00 1.00 3 + 21 3.41E-03 3.16E-01 1.84E-02 2.01E-02 3.20E+00 0.00 1.00 3 + 22 1.31E-04 1.03E-01 6.37E-03 6.61E-03 9.76E+00 0.00 1.00 3 + 23 3.38E-02 9.16E-01 8.13E-02 5.79E-02 1.13E+00 0.00 1.00 3 + 24 4.17E-04 1.58E-01 4.66E-03 9.86E-03 6.35E+00 0.00 1.00 3 + 25 7.35E-04 5.92E-02 3.70E-03 3.31E-03 1.71E+01 0.00 1.00 3 + 26 8.98E-03 1.94E-01 2.41E-02 1.10E-02 5.40E+00 0.00 1.00 3 + 27 2.12E-04 8.78E-03 2.06E-03 5.88E-04 1.17E+02 0.00 1.00 3 +------------------------------------------------------------------------------- +Scaling data for symmetry functions element O : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.51E+00 1.00E+01 2.65E+00 6.78E-01 1.18E-01 0.00 1.00 3 + 2 4.44E-01 4.62E+00 9.66E-01 3.37E-01 2.39E-01 0.00 1.00 3 + 3 1.19E+00 7.53E+00 2.03E+00 5.06E-01 1.58E-01 0.00 1.00 3 + 4 2.76E-01 3.39E+00 6.59E-01 2.50E-01 3.21E-01 0.00 1.00 3 + 5 8.06E-01 4.54E+00 1.30E+00 2.94E-01 2.68E-01 0.00 1.00 3 + 6 1.05E-01 1.89E+00 3.07E-01 1.42E-01 5.60E-01 0.00 1.00 3 + 7 5.69E-01 2.62E+00 8.48E-01 1.57E-01 4.89E-01 0.00 1.00 3 + 8 2.33E-02 9.36E-01 1.11E-01 6.98E-02 1.10E+00 0.00 1.00 3 + 9 5.14E-01 1.85E+00 7.25E-01 9.80E-02 7.46E-01 0.00 1.00 3 + 10 1.11E-01 2.91E+00 4.75E-01 2.34E-01 3.57E-01 0.00 1.00 3 + 11 3.53E-01 1.07E+00 5.35E-01 4.52E-02 1.39E+00 0.00 1.00 3 + 12 3.04E-02 2.53E+00 3.17E-01 2.10E-01 4.00E-01 0.00 1.00 3 + 13 1.60E-01 6.63E-01 3.70E-01 3.08E-02 1.99E+00 0.00 1.00 3 + 14 2.78E-03 2.30E+00 1.77E-01 1.86E-01 4.35E-01 0.00 1.00 3 + 15 9.56E-03 3.91E-01 1.53E-01 2.79E-02 2.62E+00 0.00 1.00 3 + 16 3.75E-06 2.04E+00 5.41E-02 1.43E-01 4.91E-01 0.00 1.00 3 + 17 2.47E-03 3.43E-01 1.67E-02 2.19E-02 2.93E+00 0.00 1.00 3 + 18 1.74E-05 5.63E-02 9.55E-04 3.36E-03 1.78E+01 0.00 1.00 3 + 19 5.48E-02 3.02E+00 2.04E-01 2.01E-01 3.37E-01 0.00 1.00 3 + 20 1.38E-03 4.99E-01 1.28E-02 3.18E-02 2.01E+00 0.00 1.00 3 + 21 6.69E-03 2.67E-01 3.09E-02 1.71E-02 3.84E+00 0.00 1.00 3 + 22 1.70E-02 1.42E+00 7.63E-02 9.29E-02 7.14E-01 0.00 1.00 3 + 23 1.98E-02 4.08E-01 4.88E-02 2.55E-02 2.58E+00 0.00 1.00 3 + 24 5.28E-04 2.33E-01 7.21E-03 1.45E-02 4.30E+00 0.00 1.00 3 + 25 1.11E-05 3.53E-02 4.25E-04 2.05E-03 2.83E+01 0.00 1.00 3 + 26 1.60E-02 8.22E-01 5.08E-02 5.28E-02 1.24E+00 0.00 1.00 3 + 27 3.99E-03 7.86E-01 3.69E-02 5.05E-02 1.28E+00 0.00 1.00 3 + 28 4.05E-05 9.84E-02 1.21E-03 5.79E-03 1.02E+01 0.00 1.00 3 + 29 6.04E-03 9.93E-02 1.62E-02 5.52E-03 1.07E+01 0.00 1.00 3 + 30 2.96E-03 1.55E-01 1.16E-02 8.94E-03 6.59E+00 0.00 1.00 3 +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION STATISTICS *************************************** + +Equal symmetry function statistics for all elements. +Collect min/max/mean/sigma : 0 +Collect extrapolation warnings : 1 +Write extrapolation warnings immediately to stderr: 0 +Halt on any extrapolation warning : 0 +******************************************************************************* + +*** SETUP: NEURAL NETWORK WEIGHTS ********************************************* + +Short NN weight file name format: hdnnp-data/weights.%03d.data +Setting short NN weights for element H from file: hdnnp-data/weights.001.data +Setting short NN weights for element O from file: hdnnp-data/weights.008.data +******************************************************************************* + +*** SETUP: LAMMPS INTERFACE *************************************************** + +Individual extrapolation warnings will not be shown. +Extrapolation warning summary will be shown every 5 timesteps. +The simulation will be stopped when 100 extrapolation warnings are exceeded. +Extrapolation warnings are accumulated over all time steps. +------------------------------------------------------------------------------- +CAUTION: If the LAMMPS unit system differs from the one used + during NN training, appropriate conversion factors + must be provided (see keywords cflength and cfenergy). + +Length unit conversion factor: 1.8897261327999999E+00 +Energy unit conversion factor: 3.6749325399999998E-02 + +Checking consistency of cutoff radii (in LAMMPS units): +LAMMPS Cutoff (via pair_coeff) : 6.360E+00 +Maximum symmetry function cutoff: 6.350E+00 +Cutoff radii are consistent. +------------------------------------------------------------------------------- +Element mapping string from LAMMPS to n2p2: "1:H,2:O" + +CAUTION: Please ensure that this mapping between LAMMPS + atom types and NNP elements is consistent: + +--------------------------- +LAMMPS type | NNP element +--------------------------- + 1 <-> H ( 1) + 2 <-> O ( 8) +--------------------------- + +NNP setup for LAMMPS completed. +******************************************************************************* +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 8.36 + ghost atom cutoff = 8.36 + binsize = 4.18, bins = 6 6 6 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair hdnnp, perpetual + attributes: full, newton on + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard +### NNP EW SUMMARY ### TS: 0 EW 0 EWPERSTEP 0.000e+00 +Per MPI rank memory allocation (min/avg/max) = 4.021 | 4.021 | 4.021 Mbytes + Step Temp E_pair E_mol TotEng Press + 0 0 -750069.48 0 -750069.48 -5297.5537 + 1 8.5815594 -750070.71 0 -750069.51 -5249.2914 + 2 30.988787 -750073.91 0 -750069.59 -5023.6945 + 3 58.859866 -750077.88 0 -750069.67 -4427.8346 + 4 82.576399 -750081.26 0 -750069.74 -3275.4378 +### NNP EW SUMMARY ### TS: 5 EW 0 EWPERSTEP 0.000e+00 + 5 94.968097 -750083.01 0 -750069.76 -1511.6733 + 6 93.724286 -750082.8 0 -750069.73 709.20465 + 7 82.243957 -750081.13 0 -750069.66 3020.5084 + 8 68.611429 -750079.14 0 -750069.57 4922.5176 + 9 62.314385 -750078.21 0 -750069.51 5933.1543 +### NNP EW SUMMARY ### TS: 10 EW 0 EWPERSTEP 0.000e+00 + 10 69.501045 -750079.21 0 -750069.52 5761.8646 +Loop time of 3.2801 on 1 procs for 10 steps with 1080 atoms + +Performance: 0.132 ns/day, 182.228 hours/ns, 3.049 timesteps/s, 3.293 katom-step/s +99.8% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 3.2794 | 3.2794 | 3.2794 | 0.0 | 99.98 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0.00030785 | 0.00030785 | 0.00030785 | 0.0 | 0.01 +Output | 0.00018531 | 0.00018531 | 0.00018531 | 0.0 | 0.01 +Modify | 0.00013118 | 0.00013118 | 0.00013118 | 0.0 | 0.00 +Other | | 9.142e-05 | | | 0.00 + +Nlocal: 1080 ave 1080 max 1080 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 4536 ave 4536 max 4536 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +FullNghs: 239270 ave 239270 max 239270 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 239270 +Ave neighs/atom = 221.5463 +Neighbor list builds = 0 +Dangerous builds = 0 +Total wall time: 0:00:03 diff --git a/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 b/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 new file mode 100644 index 0000000000..b65970628b --- /dev/null +++ b/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 @@ -0,0 +1,667 @@ +LAMMPS (2 Aug 2023 - Development - patch_2Aug2023-264-g174825fe8c) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +############################################################################### +# MD simulation for HDNNP water +############################################################################### + +############################################################################### +# VARIABLES +############################################################################### +clear +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Configuration files +variable cfgFile string "data.H2O-360mol" +# Timesteps +variable numSteps equal 10 +variable dt equal 0.0005 +# HDNNP +variable hdnnpCutoff equal 6.36 +variable hdnnpDir string "hdnnp-data" + +############################################################################### +# GENERAL SETUP +############################################################################### +units metal +boundary p p p +atom_style atomic +read_data ${cfgFile} +read_data data.H2O-360mol +Reading data file ... + orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 2 by 2 by 1 MPI processor grid + reading atoms ... + 1080 atoms + read_data CPU = 0.007 seconds +timestep ${dt} +timestep 0.0005 +thermo 1 + +############################################################################### +# HDNNP +############################################################################### +pair_style hdnnp ${hdnnpCutoff} dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hdnnp 6.36 dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hdnnp 6.36 dir hdnnp-data showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_coeff * * H O + +############################################################################### +# INTEGRATOR +############################################################################### +fix INT all nve + +############################################################################### +# OUTPUT +############################################################################### +# dump 1 all atom 1 dump.hdnnp + +############################################################################### +# SIMULATION +############################################################################### +run ${numSteps} +run 10 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- ML-HDNNP package: doi:10.1021/acs.jctc.8b00770 + +@Article{Singraber19, + author = {Singraber, Andreas and Behler, J{"o}rg and Dellago, Christoph}, + title = {Library-Based {LAMMPS} Implementation of High-Dimensional + Neural Network Potentials}, + year = {2019}, + month = mar, + volume = {15}, + pages = {1827--1840}, + doi = {10.1021/acs.jctc.8b00770}, + journal = {J.~Chem.\ Theory Comput.}, + number = {3} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + + +******************************************************************************* + +WELCOME TO n²p², A SOFTWARE PACKAGE FOR NEURAL NETWORK POTENTIALS! +------------------------------------------------------------------ + +n²p² version (from git): patch_2Aug2023-264-g174825fe8c + (version.h): v2.2.0 +------------------------------------------------------------ +Git branch : collected-small-changes +Git revision : 174825fe8c9493cb252d7b9e8dafdcc5d74be96d +Compile date/time : Aug 23 2023 08:43:11 +------------------------------------------------------------ + +Features/Flags: +------------------------------------------------------------ +Symmetry function groups : enabled +Symmetry function cache : enabled +Timing function available : available +Asymmetric polynomial SFs : available +SF low neighbor number check : enabled +SF derivative memory layout : reduced +MPI explicitly disabled : no +------------------------------------------------------------ + +Please cite the following papers when publishing results obtained with n²p²: +------------------------------------------------------------------------------- + * General citation for n²p² and the LAMMPS interface: + + Singraber, A.; Behler, J.; Dellago, C. + Library-Based LAMMPS Implementation of High-Dimensional + Neural Network Potentials. + J. Chem. Theory Comput. 2019 15 (3), 1827–1840. + https://doi.org/10.1021/acs.jctc.8b00770 +------------------------------------------------------------------------------- + * Additionally, if you use the NNP training features of n²p²: + + Singraber, A.; Morawietz, T.; Behler, J.; Dellago, C. + Parallel Multistream Training of High-Dimensional Neural + Network Potentials. + J. Chem. Theory Comput. 2019, 15 (5), 3075–3092. + https://doi.org/10.1021/acs.jctc.8b01092 +------------------------------------------------------------------------------- + * Additionally, if polynomial symmetry functions are used: + + Bircher, M. P.; Singraber, A.; Dellago, C. + Improved Description of Atomic Environments Using Low-Cost + Polynomial Functions with Compact Support. + arXiv:2010.14414 [cond-mat, physics:physics] 2020. + https://arxiv.org/abs/2010.14414 +******************************************************************************* + +*** SETUP: SETTINGS FILE ****************************************************** + +Settings file name: hdnnp-data/input.nn +Read 120 lines. +Found 70 lines with keywords. +This settings file defines a short-range only NNP. +******************************************************************************* + +*** SETUP: NORMALIZATION ****************************************************** + +Data set normalization is used. +Mean energy per atom : -2.5521343547039809E+01 +Conversion factor energy : 2.4265748255366972E+02 +Conversion factor length : 5.8038448995319847E+00 +******************************************************************************* + +*** SETUP: ELEMENT MAP ******************************************************** + +Number of element strings found: 2 +Element 0: H ( 1) +Element 1: O ( 8) +******************************************************************************* + +*** SETUP: ELEMENTS *********************************************************** + +Number of elements is consistent: 2 +Atomic energy offsets per element: +Element 0: 0.00000000E+00 +Element 1: 0.00000000E+00 +Energy offsets are automatically subtracted from reference energies. +******************************************************************************* + +*** SETUP: CUTOFF FUNCTIONS *************************************************** + +Parameter alpha for inner cutoff: 0.000000 +Inner cutoff = Symmetry function cutoff * alpha +Equal cutoff function type for all symmetry functions: +CutoffFunction::CT_TANHU (2) +f(r) = tanh^3(1 - r/rc) +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTIONS ************************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. + +Short range atomic symmetry functions element H : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 51 + 2 H 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 61 + 3 H 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 52 + 4 H 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 62 + 5 H 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 53 + 6 H 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 63 + 7 H 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 54 + 8 H 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 64 + 9 H 2 ct2 O 1.500E-01 9.000E-01 1.200E+01 0.00 65 + 10 H 2 ct2 H 1.500E-01 1.900E+00 1.200E+01 0.00 55 + 11 H 2 ct2 O 3.000E-01 9.000E-01 1.200E+01 0.00 66 + 12 H 2 ct2 H 3.000E-01 1.900E+00 1.200E+01 0.00 56 + 13 H 2 ct2 O 6.000E-01 9.000E-01 1.200E+01 0.00 67 + 14 H 2 ct2 H 6.000E-01 1.900E+00 1.200E+01 0.00 57 + 15 H 2 ct2 O 1.500E+00 9.000E-01 1.200E+01 0.00 68 + 16 H 2 ct2 H 1.500E+00 1.900E+00 1.200E+01 0.00 58 + 17 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 115 + 18 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 114 + 19 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 105 + 20 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 103 + 21 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 100 + 22 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 113 + 23 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 98 + 24 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 112 + 25 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 95 + 26 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 93 + 27 H 3 ct2 H O 2.000E-01 0.000E+00 1.200E+01 1 1.0 0.00 90 +------------------------------------------------------------------------------------------------- +Short range atomic symmetry functions element O : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 70 + 2 O 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 80 + 3 O 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 71 + 4 O 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 81 + 5 O 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 72 + 6 O 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 82 + 7 O 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 73 + 8 O 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 83 + 9 O 2 ct2 H 1.500E-01 9.000E-01 1.200E+01 0.00 74 + 10 O 2 ct2 O 1.500E-01 4.000E+00 1.200E+01 0.00 84 + 11 O 2 ct2 H 3.000E-01 9.000E-01 1.200E+01 0.00 75 + 12 O 2 ct2 O 3.000E-01 4.000E+00 1.200E+01 0.00 85 + 13 O 2 ct2 H 6.000E-01 9.000E-01 1.200E+01 0.00 76 + 14 O 2 ct2 O 6.000E-01 4.000E+00 1.200E+01 0.00 86 + 15 O 2 ct2 H 1.500E+00 9.000E-01 1.200E+01 0.00 77 + 16 O 2 ct2 O 1.500E+00 4.000E+00 1.200E+01 0.00 87 + 17 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 110 + 18 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 120 + 19 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 109 + 20 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 119 + 21 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 104 + 22 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 102 + 23 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 99 + 24 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 108 + 25 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 118 + 26 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 97 + 27 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 107 + 28 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 117 + 29 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 94 + 30 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 92 +------------------------------------------------------------------------------------------------- +Minimum cutoff radius for element H: 12.000000 +Minimum cutoff radius for element O: 12.000000 +Maximum cutoff radius (global) : 12.000000 +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION MEMORY ******************************************* + +Symmetry function derivatives memory table for element H : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 15 of 27 ( 55.6 %) +- O: 19 of 27 ( 70.4 %) +------------------------------------------------------------------------------- +Symmetry function derivatives memory table for element O : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 18 of 30 ( 60.0 %) +- O: 16 of 30 ( 53.3 %) +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION CACHE ******************************************** + +Element H: in total 4 caches, used 17.00 times on average. +Element O: in total 4 caches, used 17.00 times on average. +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION GROUPS ******************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. +mi ..... Member index. +sfi .... Symmetry function index. +e ...... Recalculate exponential term. + +Short range atomic symmetry function groups element H : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 51 1 1 + - - - - - 1.000E-02 0.000E+00 - - 52 2 3 + - - - - - 3.000E-02 0.000E+00 - - 53 3 5 + - - - - - 6.000E-02 0.000E+00 - - 54 4 7 + - - - - - 1.500E-01 1.900E+00 - - 55 5 10 + - - - - - 3.000E-01 1.900E+00 - - 56 6 12 + - - - - - 6.000E-01 1.900E+00 - - 57 7 14 + - - - - - 1.500E+00 1.900E+00 - - 58 8 16 + 2 H 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 61 1 2 + - - - - - 1.000E-02 0.000E+00 - - 62 2 4 + - - - - - 3.000E-02 0.000E+00 - - 63 3 6 + - - - - - 6.000E-02 0.000E+00 - - 64 4 8 + - - - - - 1.500E-01 9.000E-01 - - 65 5 9 + - - - - - 3.000E-01 9.000E-01 - - 66 6 11 + - - - - - 6.000E-01 9.000E-01 - - 67 7 13 + - - - - - 1.500E+00 9.000E-01 - - 68 8 15 + 3 H 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 105 1 19 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 103 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 100 3 21 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 98 4 23 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 95 5 25 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 93 6 26 0 + - - - - - - 2.000E-01 0.000E+00 - 1 1.0 - 90 7 27 1 + 4 H 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 115 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 114 2 18 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 113 3 22 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 112 4 24 0 +---------------------------------------------------------------------------------------------------------- +Short range atomic symmetry function groups element O : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 70 1 1 + - - - - - 1.000E-02 0.000E+00 - - 71 2 3 + - - - - - 3.000E-02 0.000E+00 - - 72 3 5 + - - - - - 6.000E-02 0.000E+00 - - 73 4 7 + - - - - - 1.500E-01 9.000E-01 - - 74 5 9 + - - - - - 3.000E-01 9.000E-01 - - 75 6 11 + - - - - - 6.000E-01 9.000E-01 - - 76 7 13 + - - - - - 1.500E+00 9.000E-01 - - 77 8 15 + 2 O 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 80 1 2 + - - - - - 1.000E-02 0.000E+00 - - 81 2 4 + - - - - - 3.000E-02 0.000E+00 - - 82 3 6 + - - - - - 6.000E-02 0.000E+00 - - 83 4 8 + - - - - - 1.500E-01 4.000E+00 - - 84 5 10 + - - - - - 3.000E-01 4.000E+00 - - 85 6 12 + - - - - - 6.000E-01 4.000E+00 - - 86 7 14 + - - - - - 1.500E+00 4.000E+00 - - 87 8 16 + 3 O 3 ct2 H H * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 104 1 21 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 102 2 22 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 99 3 23 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 97 4 26 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 94 5 29 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 92 6 30 0 + 4 O 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 110 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 109 2 19 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 108 3 24 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 107 4 27 0 + 5 O 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 120 1 18 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 119 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 118 3 25 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 117 4 28 0 +---------------------------------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: NEURAL NETWORKS **************************************************** + +Normalize neurons (all elements): 0 +------------------------------------------------------------------------------- +Atomic short range NN for element H : +Number of weights : 1325 +Number of biases : 51 +Number of connections: 1376 +Architecture 27 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G +------------------------------------------------------------------------------- +Atomic short range NN for element O : +Number of weights : 1400 +Number of biases : 51 +Number of connections: 1451 +Architecture 30 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G + 28 G + 29 G + 30 G +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION SCALING ****************************************** + +Equal scaling type for all symmetry functions: +Scaling type::ST_SCALECENTER (3) +Gs = Smin + (Smax - Smin) * (G - Gmean) / (Gmax - Gmin) +Smin = 0.000000 +Smax = 1.000000 +Symmetry function scaling statistics from file: hdnnp-data/scaling.data +------------------------------------------------------------------------------- + +Abbreviations: +-------------- +ind ..... Symmetry function index. +min ..... Minimum symmetry function value. +max ..... Maximum symmetry function value. +mean .... Mean symmetry function value. +sigma ... Standard deviation of symmetry function values. +sf ...... Scaling factor for derivatives. +Smin .... Desired minimum scaled symmetry function value. +Smax .... Desired maximum scaled symmetry function value. +t ....... Scaling type. + +Scaling data for symmetry functions element H : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.09E+00 9.62E+00 2.27E+00 6.79E-01 1.17E-01 0.00 1.00 3 + 2 7.33E-01 5.00E+00 1.33E+00 3.39E-01 2.34E-01 0.00 1.00 3 + 3 7.60E-01 7.14E+00 1.65E+00 5.08E-01 1.57E-01 0.00 1.00 3 + 4 5.48E-01 3.77E+00 1.02E+00 2.54E-01 3.11E-01 0.00 1.00 3 + 5 4.01E-01 4.15E+00 9.09E-01 2.98E-01 2.67E-01 0.00 1.00 3 + 6 3.62E-01 2.27E+00 6.49E-01 1.48E-01 5.25E-01 0.00 1.00 3 + 7 1.89E-01 2.23E+00 4.57E-01 1.60E-01 4.90E-01 0.00 1.00 3 + 8 2.67E-01 1.32E+00 4.24E-01 8.05E-02 9.49E-01 0.00 1.00 3 + 9 2.45E-01 9.48E-01 3.62E-01 5.30E-02 1.42E+00 0.00 1.00 3 + 10 2.22E-01 2.76E+00 5.39E-01 2.01E-01 3.94E-01 0.00 1.00 3 + 11 1.47E-01 5.56E-01 2.68E-01 2.62E-02 2.45E+00 0.00 1.00 3 + 12 9.91E-02 1.73E+00 2.96E-01 1.16E-01 6.14E-01 0.00 1.00 3 + 13 6.51E-02 3.45E-01 1.85E-01 1.97E-02 3.57E+00 0.00 1.00 3 + 14 3.17E-02 9.13E-01 1.50E-01 5.35E-02 1.13E+00 0.00 1.00 3 + 15 2.92E-03 2.65E-01 7.65E-02 1.88E-02 3.82E+00 0.00 1.00 3 + 16 3.21E-04 2.87E-01 4.58E-02 2.33E-02 3.49E+00 0.00 1.00 3 + 17 2.47E-04 1.38E-01 1.77E-02 9.75E-03 7.23E+00 0.00 1.00 3 + 18 5.10E-03 5.83E-01 2.39E-02 3.78E-02 1.73E+00 0.00 1.00 3 + 19 3.23E-04 2.16E-01 1.71E-02 1.40E-02 4.63E+00 0.00 1.00 3 + 20 4.96E-02 1.69E+00 1.45E-01 1.10E-01 6.11E-01 0.00 1.00 3 + 21 3.41E-03 3.16E-01 1.84E-02 2.01E-02 3.20E+00 0.00 1.00 3 + 22 1.31E-04 1.03E-01 6.37E-03 6.61E-03 9.76E+00 0.00 1.00 3 + 23 3.38E-02 9.16E-01 8.13E-02 5.79E-02 1.13E+00 0.00 1.00 3 + 24 4.17E-04 1.58E-01 4.66E-03 9.86E-03 6.35E+00 0.00 1.00 3 + 25 7.35E-04 5.92E-02 3.70E-03 3.31E-03 1.71E+01 0.00 1.00 3 + 26 8.98E-03 1.94E-01 2.41E-02 1.10E-02 5.40E+00 0.00 1.00 3 + 27 2.12E-04 8.78E-03 2.06E-03 5.88E-04 1.17E+02 0.00 1.00 3 +------------------------------------------------------------------------------- +Scaling data for symmetry functions element O : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.51E+00 1.00E+01 2.65E+00 6.78E-01 1.18E-01 0.00 1.00 3 + 2 4.44E-01 4.62E+00 9.66E-01 3.37E-01 2.39E-01 0.00 1.00 3 + 3 1.19E+00 7.53E+00 2.03E+00 5.06E-01 1.58E-01 0.00 1.00 3 + 4 2.76E-01 3.39E+00 6.59E-01 2.50E-01 3.21E-01 0.00 1.00 3 + 5 8.06E-01 4.54E+00 1.30E+00 2.94E-01 2.68E-01 0.00 1.00 3 + 6 1.05E-01 1.89E+00 3.07E-01 1.42E-01 5.60E-01 0.00 1.00 3 + 7 5.69E-01 2.62E+00 8.48E-01 1.57E-01 4.89E-01 0.00 1.00 3 + 8 2.33E-02 9.36E-01 1.11E-01 6.98E-02 1.10E+00 0.00 1.00 3 + 9 5.14E-01 1.85E+00 7.25E-01 9.80E-02 7.46E-01 0.00 1.00 3 + 10 1.11E-01 2.91E+00 4.75E-01 2.34E-01 3.57E-01 0.00 1.00 3 + 11 3.53E-01 1.07E+00 5.35E-01 4.52E-02 1.39E+00 0.00 1.00 3 + 12 3.04E-02 2.53E+00 3.17E-01 2.10E-01 4.00E-01 0.00 1.00 3 + 13 1.60E-01 6.63E-01 3.70E-01 3.08E-02 1.99E+00 0.00 1.00 3 + 14 2.78E-03 2.30E+00 1.77E-01 1.86E-01 4.35E-01 0.00 1.00 3 + 15 9.56E-03 3.91E-01 1.53E-01 2.79E-02 2.62E+00 0.00 1.00 3 + 16 3.75E-06 2.04E+00 5.41E-02 1.43E-01 4.91E-01 0.00 1.00 3 + 17 2.47E-03 3.43E-01 1.67E-02 2.19E-02 2.93E+00 0.00 1.00 3 + 18 1.74E-05 5.63E-02 9.55E-04 3.36E-03 1.78E+01 0.00 1.00 3 + 19 5.48E-02 3.02E+00 2.04E-01 2.01E-01 3.37E-01 0.00 1.00 3 + 20 1.38E-03 4.99E-01 1.28E-02 3.18E-02 2.01E+00 0.00 1.00 3 + 21 6.69E-03 2.67E-01 3.09E-02 1.71E-02 3.84E+00 0.00 1.00 3 + 22 1.70E-02 1.42E+00 7.63E-02 9.29E-02 7.14E-01 0.00 1.00 3 + 23 1.98E-02 4.08E-01 4.88E-02 2.55E-02 2.58E+00 0.00 1.00 3 + 24 5.28E-04 2.33E-01 7.21E-03 1.45E-02 4.30E+00 0.00 1.00 3 + 25 1.11E-05 3.53E-02 4.25E-04 2.05E-03 2.83E+01 0.00 1.00 3 + 26 1.60E-02 8.22E-01 5.08E-02 5.28E-02 1.24E+00 0.00 1.00 3 + 27 3.99E-03 7.86E-01 3.69E-02 5.05E-02 1.28E+00 0.00 1.00 3 + 28 4.05E-05 9.84E-02 1.21E-03 5.79E-03 1.02E+01 0.00 1.00 3 + 29 6.04E-03 9.93E-02 1.62E-02 5.52E-03 1.07E+01 0.00 1.00 3 + 30 2.96E-03 1.55E-01 1.16E-02 8.94E-03 6.59E+00 0.00 1.00 3 +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION STATISTICS *************************************** + +Equal symmetry function statistics for all elements. +Collect min/max/mean/sigma : 0 +Collect extrapolation warnings : 1 +Write extrapolation warnings immediately to stderr: 0 +Halt on any extrapolation warning : 0 +******************************************************************************* + +*** SETUP: NEURAL NETWORK WEIGHTS ********************************************* + +Short NN weight file name format: hdnnp-data/weights.%03d.data +Setting short NN weights for element H from file: hdnnp-data/weights.001.data +Setting short NN weights for element O from file: hdnnp-data/weights.008.data +******************************************************************************* + +*** SETUP: LAMMPS INTERFACE *************************************************** + +Individual extrapolation warnings will not be shown. +Extrapolation warning summary will be shown every 5 timesteps. +The simulation will be stopped when 100 extrapolation warnings are exceeded. +Extrapolation warnings are accumulated over all time steps. +------------------------------------------------------------------------------- +CAUTION: If the LAMMPS unit system differs from the one used + during NN training, appropriate conversion factors + must be provided (see keywords cflength and cfenergy). + +Length unit conversion factor: 1.8897261327999999E+00 +Energy unit conversion factor: 3.6749325399999998E-02 + +Checking consistency of cutoff radii (in LAMMPS units): +LAMMPS Cutoff (via pair_coeff) : 6.360E+00 +Maximum symmetry function cutoff: 6.350E+00 +Cutoff radii are consistent. +------------------------------------------------------------------------------- +Element mapping string from LAMMPS to n2p2: "1:H,2:O" + +CAUTION: Please ensure that this mapping between LAMMPS + atom types and NNP elements is consistent: + +--------------------------- +LAMMPS type | NNP element +--------------------------- + 1 <-> H ( 1) + 2 <-> O ( 8) +--------------------------- + +NNP setup for LAMMPS completed. +******************************************************************************* +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 8.36 + ghost atom cutoff = 8.36 + binsize = 4.18, bins = 6 6 6 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair hdnnp, perpetual + attributes: full, newton on + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard +### NNP EW SUMMARY ### TS: 0 EW 0 EWPERSTEP 0.000e+00 +Per MPI rank memory allocation (min/avg/max) = 3.13 | 3.13 | 3.13 Mbytes + Step Temp E_pair E_mol TotEng Press + 0 0 -750069.48 0 -750069.48 -5297.5537 + 1 8.5815594 -750070.71 0 -750069.51 -5249.2914 + 2 30.988787 -750073.91 0 -750069.59 -5023.6945 + 3 58.859866 -750077.88 0 -750069.67 -4427.8346 + 4 82.576399 -750081.26 0 -750069.74 -3275.4378 +### NNP EW SUMMARY ### TS: 5 EW 0 EWPERSTEP 0.000e+00 + 5 94.968097 -750083.01 0 -750069.76 -1511.6733 + 6 93.724286 -750082.8 0 -750069.73 709.20465 + 7 82.243957 -750081.13 0 -750069.66 3020.5084 + 8 68.611429 -750079.14 0 -750069.57 4922.5176 + 9 62.314385 -750078.21 0 -750069.51 5933.1543 +### NNP EW SUMMARY ### TS: 10 EW 0 EWPERSTEP 0.000e+00 + 10 69.501045 -750079.21 0 -750069.52 5761.8646 +Loop time of 0.930358 on 4 procs for 10 steps with 1080 atoms + +Performance: 0.464 ns/day, 51.687 hours/ns, 10.749 timesteps/s, 11.608 katom-step/s +99.6% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.85419 | 0.89495 | 0.92919 | 3.5 | 96.19 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0.00075831 | 0.035035 | 0.075822 | 17.5 | 3.77 +Output | 0.00018471 | 0.00023973 | 0.00031043 | 0.0 | 0.03 +Modify | 4.0258e-05 | 4.2308e-05 | 4.4218e-05 | 0.0 | 0.00 +Other | | 9.199e-05 | | | 0.01 + +Nlocal: 270 ave 278 max 262 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 2552 ave 2564 max 2541 min +Histogram: 1 0 1 0 0 0 1 0 0 1 +Neighs: 0 ave 0 max 0 min +Histogram: 4 0 0 0 0 0 0 0 0 0 +FullNghs: 59817.5 ave 61917 max 57577 min +Histogram: 1 1 0 0 0 0 0 0 0 2 + +Total # of neighbors = 239270 +Ave neighs/atom = 221.5463 +Neighbor list builds = 0 +Dangerous builds = 0 +Total wall time: 0:00:01 diff --git a/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 b/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 new file mode 100644 index 0000000000..40c8578a0b --- /dev/null +++ b/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 @@ -0,0 +1,689 @@ +LAMMPS (2 Aug 2023 - Development - patch_2Aug2023-264-g174825fe8c) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +############################################################################### +# MD simulation for HDNNP water +############################################################################### + +############################################################################### +# VARIABLES +############################################################################### +clear +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Configuration files +variable cfgFile string "data.H2O-360mol" +# Timesteps +variable numSteps equal 10 +variable dt equal 0.0005 +# HDNNP +variable hdnnpCutoff equal 6.36 +variable hdnnpDir string "hdnnp-data" + +############################################################################### +# GENERAL SETUP +############################################################################### +units metal +boundary p p p +atom_style atomic +region box block 0.0 2.2695686722465727E+01 0.0 2.3586033624598713E+01 0.0 2.2237130028217017E+01 +create_box 3 box +Created orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 1 by 1 by 1 MPI processor grid + +mass 1 1.0 + +read_data ${cfgFile} add append offset 1 0 0 0 0 +read_data data.H2O-360mol add append offset 1 0 0 0 0 +Reading data file ... + orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 1080 atoms + read_data CPU = 0.004 seconds +timestep ${dt} +timestep 0.0005 +thermo 1 + +############################################################################### +# HDNNP +############################################################################### +pair_style hybrid lj/cut 6.0 hdnnp ${hdnnpCutoff} dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hybrid lj/cut 6.0 hdnnp 6.36 dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hybrid lj/cut 6.0 hdnnp 6.36 dir hdnnp-data showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_coeff * * hdnnp NULL H O +pair_coeff 1 * lj/cut 0.1 3.0 + +############################################################################### +# INTEGRATOR +############################################################################### +fix INT all nve + +############################################################################### +# OUTPUT +############################################################################### +#dump 1 all atom 1 dump.hdnnp + +############################################################################### +# SIMULATION +############################################################################### +run ${numSteps} +run 10 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- ML-HDNNP package: doi:10.1021/acs.jctc.8b00770 + +@Article{Singraber19, + author = {Singraber, Andreas and Behler, J{"o}rg and Dellago, Christoph}, + title = {Library-Based {LAMMPS} Implementation of High-Dimensional + Neural Network Potentials}, + year = {2019}, + month = mar, + volume = {15}, + pages = {1827--1840}, + doi = {10.1021/acs.jctc.8b00770}, + journal = {J.~Chem.\ Theory Comput.}, + number = {3} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + + +******************************************************************************* + +WELCOME TO n²p², A SOFTWARE PACKAGE FOR NEURAL NETWORK POTENTIALS! +------------------------------------------------------------------ + +n²p² version (from git): patch_2Aug2023-264-g174825fe8c + (version.h): v2.2.0 +------------------------------------------------------------ +Git branch : collected-small-changes +Git revision : 174825fe8c9493cb252d7b9e8dafdcc5d74be96d +Compile date/time : Aug 23 2023 08:43:11 +------------------------------------------------------------ + +Features/Flags: +------------------------------------------------------------ +Symmetry function groups : enabled +Symmetry function cache : enabled +Timing function available : available +Asymmetric polynomial SFs : available +SF low neighbor number check : enabled +SF derivative memory layout : reduced +MPI explicitly disabled : no +------------------------------------------------------------ + +Please cite the following papers when publishing results obtained with n²p²: +------------------------------------------------------------------------------- + * General citation for n²p² and the LAMMPS interface: + + Singraber, A.; Behler, J.; Dellago, C. + Library-Based LAMMPS Implementation of High-Dimensional + Neural Network Potentials. + J. Chem. Theory Comput. 2019 15 (3), 1827–1840. + https://doi.org/10.1021/acs.jctc.8b00770 +------------------------------------------------------------------------------- + * Additionally, if you use the NNP training features of n²p²: + + Singraber, A.; Morawietz, T.; Behler, J.; Dellago, C. + Parallel Multistream Training of High-Dimensional Neural + Network Potentials. + J. Chem. Theory Comput. 2019, 15 (5), 3075–3092. + https://doi.org/10.1021/acs.jctc.8b01092 +------------------------------------------------------------------------------- + * Additionally, if polynomial symmetry functions are used: + + Bircher, M. P.; Singraber, A.; Dellago, C. + Improved Description of Atomic Environments Using Low-Cost + Polynomial Functions with Compact Support. + arXiv:2010.14414 [cond-mat, physics:physics] 2020. + https://arxiv.org/abs/2010.14414 +******************************************************************************* + +*** SETUP: SETTINGS FILE ****************************************************** + +Settings file name: hdnnp-data/input.nn +Read 120 lines. +Found 70 lines with keywords. +This settings file defines a short-range only NNP. +******************************************************************************* + +*** SETUP: NORMALIZATION ****************************************************** + +Data set normalization is used. +Mean energy per atom : -2.5521343547039809E+01 +Conversion factor energy : 2.4265748255366972E+02 +Conversion factor length : 5.8038448995319847E+00 +******************************************************************************* + +*** SETUP: ELEMENT MAP ******************************************************** + +Number of element strings found: 2 +Element 0: H ( 1) +Element 1: O ( 8) +******************************************************************************* + +*** SETUP: ELEMENTS *********************************************************** + +Number of elements is consistent: 2 +Atomic energy offsets per element: +Element 0: 0.00000000E+00 +Element 1: 0.00000000E+00 +Energy offsets are automatically subtracted from reference energies. +******************************************************************************* + +*** SETUP: CUTOFF FUNCTIONS *************************************************** + +Parameter alpha for inner cutoff: 0.000000 +Inner cutoff = Symmetry function cutoff * alpha +Equal cutoff function type for all symmetry functions: +CutoffFunction::CT_TANHU (2) +f(r) = tanh^3(1 - r/rc) +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTIONS ************************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. + +Short range atomic symmetry functions element H : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 51 + 2 H 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 61 + 3 H 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 52 + 4 H 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 62 + 5 H 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 53 + 6 H 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 63 + 7 H 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 54 + 8 H 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 64 + 9 H 2 ct2 O 1.500E-01 9.000E-01 1.200E+01 0.00 65 + 10 H 2 ct2 H 1.500E-01 1.900E+00 1.200E+01 0.00 55 + 11 H 2 ct2 O 3.000E-01 9.000E-01 1.200E+01 0.00 66 + 12 H 2 ct2 H 3.000E-01 1.900E+00 1.200E+01 0.00 56 + 13 H 2 ct2 O 6.000E-01 9.000E-01 1.200E+01 0.00 67 + 14 H 2 ct2 H 6.000E-01 1.900E+00 1.200E+01 0.00 57 + 15 H 2 ct2 O 1.500E+00 9.000E-01 1.200E+01 0.00 68 + 16 H 2 ct2 H 1.500E+00 1.900E+00 1.200E+01 0.00 58 + 17 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 115 + 18 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 114 + 19 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 105 + 20 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 103 + 21 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 100 + 22 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 113 + 23 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 98 + 24 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 112 + 25 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 95 + 26 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 93 + 27 H 3 ct2 H O 2.000E-01 0.000E+00 1.200E+01 1 1.0 0.00 90 +------------------------------------------------------------------------------------------------- +Short range atomic symmetry functions element O : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 70 + 2 O 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 80 + 3 O 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 71 + 4 O 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 81 + 5 O 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 72 + 6 O 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 82 + 7 O 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 73 + 8 O 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 83 + 9 O 2 ct2 H 1.500E-01 9.000E-01 1.200E+01 0.00 74 + 10 O 2 ct2 O 1.500E-01 4.000E+00 1.200E+01 0.00 84 + 11 O 2 ct2 H 3.000E-01 9.000E-01 1.200E+01 0.00 75 + 12 O 2 ct2 O 3.000E-01 4.000E+00 1.200E+01 0.00 85 + 13 O 2 ct2 H 6.000E-01 9.000E-01 1.200E+01 0.00 76 + 14 O 2 ct2 O 6.000E-01 4.000E+00 1.200E+01 0.00 86 + 15 O 2 ct2 H 1.500E+00 9.000E-01 1.200E+01 0.00 77 + 16 O 2 ct2 O 1.500E+00 4.000E+00 1.200E+01 0.00 87 + 17 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 110 + 18 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 120 + 19 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 109 + 20 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 119 + 21 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 104 + 22 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 102 + 23 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 99 + 24 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 108 + 25 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 118 + 26 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 97 + 27 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 107 + 28 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 117 + 29 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 94 + 30 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 92 +------------------------------------------------------------------------------------------------- +Minimum cutoff radius for element H: 12.000000 +Minimum cutoff radius for element O: 12.000000 +Maximum cutoff radius (global) : 12.000000 +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION MEMORY ******************************************* + +Symmetry function derivatives memory table for element H : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 15 of 27 ( 55.6 %) +- O: 19 of 27 ( 70.4 %) +------------------------------------------------------------------------------- +Symmetry function derivatives memory table for element O : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 18 of 30 ( 60.0 %) +- O: 16 of 30 ( 53.3 %) +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION CACHE ******************************************** + +Element H: in total 4 caches, used 17.00 times on average. +Element O: in total 4 caches, used 17.00 times on average. +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION GROUPS ******************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. +mi ..... Member index. +sfi .... Symmetry function index. +e ...... Recalculate exponential term. + +Short range atomic symmetry function groups element H : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 51 1 1 + - - - - - 1.000E-02 0.000E+00 - - 52 2 3 + - - - - - 3.000E-02 0.000E+00 - - 53 3 5 + - - - - - 6.000E-02 0.000E+00 - - 54 4 7 + - - - - - 1.500E-01 1.900E+00 - - 55 5 10 + - - - - - 3.000E-01 1.900E+00 - - 56 6 12 + - - - - - 6.000E-01 1.900E+00 - - 57 7 14 + - - - - - 1.500E+00 1.900E+00 - - 58 8 16 + 2 H 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 61 1 2 + - - - - - 1.000E-02 0.000E+00 - - 62 2 4 + - - - - - 3.000E-02 0.000E+00 - - 63 3 6 + - - - - - 6.000E-02 0.000E+00 - - 64 4 8 + - - - - - 1.500E-01 9.000E-01 - - 65 5 9 + - - - - - 3.000E-01 9.000E-01 - - 66 6 11 + - - - - - 6.000E-01 9.000E-01 - - 67 7 13 + - - - - - 1.500E+00 9.000E-01 - - 68 8 15 + 3 H 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 105 1 19 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 103 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 100 3 21 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 98 4 23 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 95 5 25 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 93 6 26 0 + - - - - - - 2.000E-01 0.000E+00 - 1 1.0 - 90 7 27 1 + 4 H 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 115 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 114 2 18 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 113 3 22 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 112 4 24 0 +---------------------------------------------------------------------------------------------------------- +Short range atomic symmetry function groups element O : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 70 1 1 + - - - - - 1.000E-02 0.000E+00 - - 71 2 3 + - - - - - 3.000E-02 0.000E+00 - - 72 3 5 + - - - - - 6.000E-02 0.000E+00 - - 73 4 7 + - - - - - 1.500E-01 9.000E-01 - - 74 5 9 + - - - - - 3.000E-01 9.000E-01 - - 75 6 11 + - - - - - 6.000E-01 9.000E-01 - - 76 7 13 + - - - - - 1.500E+00 9.000E-01 - - 77 8 15 + 2 O 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 80 1 2 + - - - - - 1.000E-02 0.000E+00 - - 81 2 4 + - - - - - 3.000E-02 0.000E+00 - - 82 3 6 + - - - - - 6.000E-02 0.000E+00 - - 83 4 8 + - - - - - 1.500E-01 4.000E+00 - - 84 5 10 + - - - - - 3.000E-01 4.000E+00 - - 85 6 12 + - - - - - 6.000E-01 4.000E+00 - - 86 7 14 + - - - - - 1.500E+00 4.000E+00 - - 87 8 16 + 3 O 3 ct2 H H * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 104 1 21 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 102 2 22 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 99 3 23 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 97 4 26 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 94 5 29 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 92 6 30 0 + 4 O 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 110 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 109 2 19 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 108 3 24 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 107 4 27 0 + 5 O 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 120 1 18 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 119 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 118 3 25 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 117 4 28 0 +---------------------------------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: NEURAL NETWORKS **************************************************** + +Normalize neurons (all elements): 0 +------------------------------------------------------------------------------- +Atomic short range NN for element H : +Number of weights : 1325 +Number of biases : 51 +Number of connections: 1376 +Architecture 27 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G +------------------------------------------------------------------------------- +Atomic short range NN for element O : +Number of weights : 1400 +Number of biases : 51 +Number of connections: 1451 +Architecture 30 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G + 28 G + 29 G + 30 G +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION SCALING ****************************************** + +Equal scaling type for all symmetry functions: +Scaling type::ST_SCALECENTER (3) +Gs = Smin + (Smax - Smin) * (G - Gmean) / (Gmax - Gmin) +Smin = 0.000000 +Smax = 1.000000 +Symmetry function scaling statistics from file: hdnnp-data/scaling.data +------------------------------------------------------------------------------- + +Abbreviations: +-------------- +ind ..... Symmetry function index. +min ..... Minimum symmetry function value. +max ..... Maximum symmetry function value. +mean .... Mean symmetry function value. +sigma ... Standard deviation of symmetry function values. +sf ...... Scaling factor for derivatives. +Smin .... Desired minimum scaled symmetry function value. +Smax .... Desired maximum scaled symmetry function value. +t ....... Scaling type. + +Scaling data for symmetry functions element H : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.09E+00 9.62E+00 2.27E+00 6.79E-01 1.17E-01 0.00 1.00 3 + 2 7.33E-01 5.00E+00 1.33E+00 3.39E-01 2.34E-01 0.00 1.00 3 + 3 7.60E-01 7.14E+00 1.65E+00 5.08E-01 1.57E-01 0.00 1.00 3 + 4 5.48E-01 3.77E+00 1.02E+00 2.54E-01 3.11E-01 0.00 1.00 3 + 5 4.01E-01 4.15E+00 9.09E-01 2.98E-01 2.67E-01 0.00 1.00 3 + 6 3.62E-01 2.27E+00 6.49E-01 1.48E-01 5.25E-01 0.00 1.00 3 + 7 1.89E-01 2.23E+00 4.57E-01 1.60E-01 4.90E-01 0.00 1.00 3 + 8 2.67E-01 1.32E+00 4.24E-01 8.05E-02 9.49E-01 0.00 1.00 3 + 9 2.45E-01 9.48E-01 3.62E-01 5.30E-02 1.42E+00 0.00 1.00 3 + 10 2.22E-01 2.76E+00 5.39E-01 2.01E-01 3.94E-01 0.00 1.00 3 + 11 1.47E-01 5.56E-01 2.68E-01 2.62E-02 2.45E+00 0.00 1.00 3 + 12 9.91E-02 1.73E+00 2.96E-01 1.16E-01 6.14E-01 0.00 1.00 3 + 13 6.51E-02 3.45E-01 1.85E-01 1.97E-02 3.57E+00 0.00 1.00 3 + 14 3.17E-02 9.13E-01 1.50E-01 5.35E-02 1.13E+00 0.00 1.00 3 + 15 2.92E-03 2.65E-01 7.65E-02 1.88E-02 3.82E+00 0.00 1.00 3 + 16 3.21E-04 2.87E-01 4.58E-02 2.33E-02 3.49E+00 0.00 1.00 3 + 17 2.47E-04 1.38E-01 1.77E-02 9.75E-03 7.23E+00 0.00 1.00 3 + 18 5.10E-03 5.83E-01 2.39E-02 3.78E-02 1.73E+00 0.00 1.00 3 + 19 3.23E-04 2.16E-01 1.71E-02 1.40E-02 4.63E+00 0.00 1.00 3 + 20 4.96E-02 1.69E+00 1.45E-01 1.10E-01 6.11E-01 0.00 1.00 3 + 21 3.41E-03 3.16E-01 1.84E-02 2.01E-02 3.20E+00 0.00 1.00 3 + 22 1.31E-04 1.03E-01 6.37E-03 6.61E-03 9.76E+00 0.00 1.00 3 + 23 3.38E-02 9.16E-01 8.13E-02 5.79E-02 1.13E+00 0.00 1.00 3 + 24 4.17E-04 1.58E-01 4.66E-03 9.86E-03 6.35E+00 0.00 1.00 3 + 25 7.35E-04 5.92E-02 3.70E-03 3.31E-03 1.71E+01 0.00 1.00 3 + 26 8.98E-03 1.94E-01 2.41E-02 1.10E-02 5.40E+00 0.00 1.00 3 + 27 2.12E-04 8.78E-03 2.06E-03 5.88E-04 1.17E+02 0.00 1.00 3 +------------------------------------------------------------------------------- +Scaling data for symmetry functions element O : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.51E+00 1.00E+01 2.65E+00 6.78E-01 1.18E-01 0.00 1.00 3 + 2 4.44E-01 4.62E+00 9.66E-01 3.37E-01 2.39E-01 0.00 1.00 3 + 3 1.19E+00 7.53E+00 2.03E+00 5.06E-01 1.58E-01 0.00 1.00 3 + 4 2.76E-01 3.39E+00 6.59E-01 2.50E-01 3.21E-01 0.00 1.00 3 + 5 8.06E-01 4.54E+00 1.30E+00 2.94E-01 2.68E-01 0.00 1.00 3 + 6 1.05E-01 1.89E+00 3.07E-01 1.42E-01 5.60E-01 0.00 1.00 3 + 7 5.69E-01 2.62E+00 8.48E-01 1.57E-01 4.89E-01 0.00 1.00 3 + 8 2.33E-02 9.36E-01 1.11E-01 6.98E-02 1.10E+00 0.00 1.00 3 + 9 5.14E-01 1.85E+00 7.25E-01 9.80E-02 7.46E-01 0.00 1.00 3 + 10 1.11E-01 2.91E+00 4.75E-01 2.34E-01 3.57E-01 0.00 1.00 3 + 11 3.53E-01 1.07E+00 5.35E-01 4.52E-02 1.39E+00 0.00 1.00 3 + 12 3.04E-02 2.53E+00 3.17E-01 2.10E-01 4.00E-01 0.00 1.00 3 + 13 1.60E-01 6.63E-01 3.70E-01 3.08E-02 1.99E+00 0.00 1.00 3 + 14 2.78E-03 2.30E+00 1.77E-01 1.86E-01 4.35E-01 0.00 1.00 3 + 15 9.56E-03 3.91E-01 1.53E-01 2.79E-02 2.62E+00 0.00 1.00 3 + 16 3.75E-06 2.04E+00 5.41E-02 1.43E-01 4.91E-01 0.00 1.00 3 + 17 2.47E-03 3.43E-01 1.67E-02 2.19E-02 2.93E+00 0.00 1.00 3 + 18 1.74E-05 5.63E-02 9.55E-04 3.36E-03 1.78E+01 0.00 1.00 3 + 19 5.48E-02 3.02E+00 2.04E-01 2.01E-01 3.37E-01 0.00 1.00 3 + 20 1.38E-03 4.99E-01 1.28E-02 3.18E-02 2.01E+00 0.00 1.00 3 + 21 6.69E-03 2.67E-01 3.09E-02 1.71E-02 3.84E+00 0.00 1.00 3 + 22 1.70E-02 1.42E+00 7.63E-02 9.29E-02 7.14E-01 0.00 1.00 3 + 23 1.98E-02 4.08E-01 4.88E-02 2.55E-02 2.58E+00 0.00 1.00 3 + 24 5.28E-04 2.33E-01 7.21E-03 1.45E-02 4.30E+00 0.00 1.00 3 + 25 1.11E-05 3.53E-02 4.25E-04 2.05E-03 2.83E+01 0.00 1.00 3 + 26 1.60E-02 8.22E-01 5.08E-02 5.28E-02 1.24E+00 0.00 1.00 3 + 27 3.99E-03 7.86E-01 3.69E-02 5.05E-02 1.28E+00 0.00 1.00 3 + 28 4.05E-05 9.84E-02 1.21E-03 5.79E-03 1.02E+01 0.00 1.00 3 + 29 6.04E-03 9.93E-02 1.62E-02 5.52E-03 1.07E+01 0.00 1.00 3 + 30 2.96E-03 1.55E-01 1.16E-02 8.94E-03 6.59E+00 0.00 1.00 3 +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION STATISTICS *************************************** + +Equal symmetry function statistics for all elements. +Collect min/max/mean/sigma : 0 +Collect extrapolation warnings : 1 +Write extrapolation warnings immediately to stderr: 0 +Halt on any extrapolation warning : 0 +******************************************************************************* + +*** SETUP: NEURAL NETWORK WEIGHTS ********************************************* + +Short NN weight file name format: hdnnp-data/weights.%03d.data +Setting short NN weights for element H from file: hdnnp-data/weights.001.data +Setting short NN weights for element O from file: hdnnp-data/weights.008.data +******************************************************************************* + +*** SETUP: LAMMPS INTERFACE *************************************************** + +Individual extrapolation warnings will not be shown. +Extrapolation warning summary will be shown every 5 timesteps. +The simulation will be stopped when 100 extrapolation warnings are exceeded. +Extrapolation warnings are accumulated over all time steps. +------------------------------------------------------------------------------- +CAUTION: If the LAMMPS unit system differs from the one used + during NN training, appropriate conversion factors + must be provided (see keywords cflength and cfenergy). + +Length unit conversion factor: 1.8897261327999999E+00 +Energy unit conversion factor: 3.6749325399999998E-02 + +Checking consistency of cutoff radii (in LAMMPS units): +LAMMPS Cutoff (via pair_coeff) : 6.360E+00 +Maximum symmetry function cutoff: 6.350E+00 +Cutoff radii are consistent. +------------------------------------------------------------------------------- +Element mapping string from LAMMPS to n2p2: "2:H,3:O" + +CAUTION: Please ensure that this mapping between LAMMPS + atom types and NNP elements is consistent: + +--------------------------- +LAMMPS type | NNP element +--------------------------- + 1 <-> -- + 2 <-> H ( 1) + 3 <-> O ( 8) +--------------------------- + +NNP setup for LAMMPS completed. +******************************************************************************* +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 8.36 + ghost atom cutoff = 8.36 + binsize = 4.18, bins = 6 6 6 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair lj/cut, perpetual, skip from (3) + attributes: half, newton on, cut 8 + pair build: skip + stencil: none + bin: none + (2) pair hdnnp, perpetual, skip from (4) + attributes: full, newton on + pair build: skip + stencil: none + bin: none + (3) neighbor class addition, perpetual, half/full trim from (4) + attributes: half, newton on, cut 8 + pair build: halffull/newton/trim + stencil: none + bin: none + (4) neighbor class addition, perpetual + attributes: full, newton on + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard +### NNP EW SUMMARY ### TS: 0 EW 0 EWPERSTEP 0.000e+00 +Per MPI rank memory allocation (min/avg/max) = 7.06 | 7.06 | 7.06 Mbytes + Step Temp E_pair E_mol TotEng Press + 0 0 -750069.48 0 -750069.48 -5297.5537 + 1 8.5815594 -750070.71 0 -750069.51 -5249.2914 + 2 30.988787 -750073.91 0 -750069.59 -5023.6945 + 3 58.859866 -750077.88 0 -750069.67 -4427.8346 + 4 82.576399 -750081.26 0 -750069.74 -3275.4378 +### NNP EW SUMMARY ### TS: 5 EW 0 EWPERSTEP 0.000e+00 + 5 94.968097 -750083.01 0 -750069.76 -1511.6733 + 6 93.724286 -750082.8 0 -750069.73 709.20465 + 7 82.243957 -750081.13 0 -750069.66 3020.5084 + 8 68.611429 -750079.14 0 -750069.57 4922.5176 + 9 62.314385 -750078.21 0 -750069.51 5933.1543 +### NNP EW SUMMARY ### TS: 10 EW 0 EWPERSTEP 0.000e+00 + 10 69.501045 -750079.21 0 -750069.52 5761.8646 +Loop time of 3.32416 on 1 procs for 10 steps with 1080 atoms + +Performance: 0.130 ns/day, 184.675 hours/ns, 3.008 timesteps/s, 3.249 katom-step/s +99.8% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 3.3234 | 3.3234 | 3.3234 | 0.0 | 99.98 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0.00032742 | 0.00032742 | 0.00032742 | 0.0 | 0.01 +Output | 0.00019506 | 0.00019506 | 0.00019506 | 0.0 | 0.01 +Modify | 0.00011454 | 0.00011454 | 0.00011454 | 0.0 | 0.00 +Other | | 0.0001165 | | | 0.00 + +Nlocal: 1080 ave 1080 max 1080 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 4536 ave 4536 max 4536 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 0 +Ave neighs/atom = 0 +Neighbor list builds = 0 +Dangerous builds = 0 +Total wall time: 0:00:03 diff --git a/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 b/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 new file mode 100644 index 0000000000..4caae1a778 --- /dev/null +++ b/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 @@ -0,0 +1,689 @@ +LAMMPS (2 Aug 2023 - Development - patch_2Aug2023-264-g174825fe8c) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +############################################################################### +# MD simulation for HDNNP water +############################################################################### + +############################################################################### +# VARIABLES +############################################################################### +clear +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Configuration files +variable cfgFile string "data.H2O-360mol" +# Timesteps +variable numSteps equal 10 +variable dt equal 0.0005 +# HDNNP +variable hdnnpCutoff equal 6.36 +variable hdnnpDir string "hdnnp-data" + +############################################################################### +# GENERAL SETUP +############################################################################### +units metal +boundary p p p +atom_style atomic +region box block 0.0 2.2695686722465727E+01 0.0 2.3586033624598713E+01 0.0 2.2237130028217017E+01 +create_box 3 box +Created orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 2 by 2 by 1 MPI processor grid + +mass 1 1.0 + +read_data ${cfgFile} add append offset 1 0 0 0 0 +read_data data.H2O-360mol add append offset 1 0 0 0 0 +Reading data file ... + orthogonal box = (0 0 0) to (22.695687 23.586034 22.23713) + 2 by 2 by 1 MPI processor grid + reading atoms ... + 1080 atoms + read_data CPU = 0.007 seconds +timestep ${dt} +timestep 0.0005 +thermo 1 + +############################################################################### +# HDNNP +############################################################################### +pair_style hybrid lj/cut 6.0 hdnnp ${hdnnpCutoff} dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hybrid lj/cut 6.0 hdnnp 6.36 dir ${hdnnpDir} showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_style hybrid lj/cut 6.0 hdnnp 6.36 dir hdnnp-data showew no showewsum 5 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 +pair_coeff * * hdnnp NULL H O +pair_coeff 1 * lj/cut 0.1 3.0 + +############################################################################### +# INTEGRATOR +############################################################################### +fix INT all nve + +############################################################################### +# OUTPUT +############################################################################### +#dump 1 all atom 1 dump.hdnnp + +############################################################################### +# SIMULATION +############################################################################### +run ${numSteps} +run 10 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- ML-HDNNP package: doi:10.1021/acs.jctc.8b00770 + +@Article{Singraber19, + author = {Singraber, Andreas and Behler, J{"o}rg and Dellago, Christoph}, + title = {Library-Based {LAMMPS} Implementation of High-Dimensional + Neural Network Potentials}, + year = {2019}, + month = mar, + volume = {15}, + pages = {1827--1840}, + doi = {10.1021/acs.jctc.8b00770}, + journal = {J.~Chem.\ Theory Comput.}, + number = {3} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + + +******************************************************************************* + +WELCOME TO n²p², A SOFTWARE PACKAGE FOR NEURAL NETWORK POTENTIALS! +------------------------------------------------------------------ + +n²p² version (from git): patch_2Aug2023-264-g174825fe8c + (version.h): v2.2.0 +------------------------------------------------------------ +Git branch : collected-small-changes +Git revision : 174825fe8c9493cb252d7b9e8dafdcc5d74be96d +Compile date/time : Aug 23 2023 08:43:11 +------------------------------------------------------------ + +Features/Flags: +------------------------------------------------------------ +Symmetry function groups : enabled +Symmetry function cache : enabled +Timing function available : available +Asymmetric polynomial SFs : available +SF low neighbor number check : enabled +SF derivative memory layout : reduced +MPI explicitly disabled : no +------------------------------------------------------------ + +Please cite the following papers when publishing results obtained with n²p²: +------------------------------------------------------------------------------- + * General citation for n²p² and the LAMMPS interface: + + Singraber, A.; Behler, J.; Dellago, C. + Library-Based LAMMPS Implementation of High-Dimensional + Neural Network Potentials. + J. Chem. Theory Comput. 2019 15 (3), 1827–1840. + https://doi.org/10.1021/acs.jctc.8b00770 +------------------------------------------------------------------------------- + * Additionally, if you use the NNP training features of n²p²: + + Singraber, A.; Morawietz, T.; Behler, J.; Dellago, C. + Parallel Multistream Training of High-Dimensional Neural + Network Potentials. + J. Chem. Theory Comput. 2019, 15 (5), 3075–3092. + https://doi.org/10.1021/acs.jctc.8b01092 +------------------------------------------------------------------------------- + * Additionally, if polynomial symmetry functions are used: + + Bircher, M. P.; Singraber, A.; Dellago, C. + Improved Description of Atomic Environments Using Low-Cost + Polynomial Functions with Compact Support. + arXiv:2010.14414 [cond-mat, physics:physics] 2020. + https://arxiv.org/abs/2010.14414 +******************************************************************************* + +*** SETUP: SETTINGS FILE ****************************************************** + +Settings file name: hdnnp-data/input.nn +Read 120 lines. +Found 70 lines with keywords. +This settings file defines a short-range only NNP. +******************************************************************************* + +*** SETUP: NORMALIZATION ****************************************************** + +Data set normalization is used. +Mean energy per atom : -2.5521343547039809E+01 +Conversion factor energy : 2.4265748255366972E+02 +Conversion factor length : 5.8038448995319847E+00 +******************************************************************************* + +*** SETUP: ELEMENT MAP ******************************************************** + +Number of element strings found: 2 +Element 0: H ( 1) +Element 1: O ( 8) +******************************************************************************* + +*** SETUP: ELEMENTS *********************************************************** + +Number of elements is consistent: 2 +Atomic energy offsets per element: +Element 0: 0.00000000E+00 +Element 1: 0.00000000E+00 +Energy offsets are automatically subtracted from reference energies. +******************************************************************************* + +*** SETUP: CUTOFF FUNCTIONS *************************************************** + +Parameter alpha for inner cutoff: 0.000000 +Inner cutoff = Symmetry function cutoff * alpha +Equal cutoff function type for all symmetry functions: +CutoffFunction::CT_TANHU (2) +f(r) = tanh^3(1 - r/rc) +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTIONS ************************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. + +Short range atomic symmetry functions element H : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 51 + 2 H 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 61 + 3 H 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 52 + 4 H 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 62 + 5 H 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 53 + 6 H 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 63 + 7 H 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 54 + 8 H 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 64 + 9 H 2 ct2 O 1.500E-01 9.000E-01 1.200E+01 0.00 65 + 10 H 2 ct2 H 1.500E-01 1.900E+00 1.200E+01 0.00 55 + 11 H 2 ct2 O 3.000E-01 9.000E-01 1.200E+01 0.00 66 + 12 H 2 ct2 H 3.000E-01 1.900E+00 1.200E+01 0.00 56 + 13 H 2 ct2 O 6.000E-01 9.000E-01 1.200E+01 0.00 67 + 14 H 2 ct2 H 6.000E-01 1.900E+00 1.200E+01 0.00 57 + 15 H 2 ct2 O 1.500E+00 9.000E-01 1.200E+01 0.00 68 + 16 H 2 ct2 H 1.500E+00 1.900E+00 1.200E+01 0.00 58 + 17 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 115 + 18 H 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 114 + 19 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 105 + 20 H 3 ct2 H O 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 103 + 21 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 100 + 22 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 113 + 23 H 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 98 + 24 H 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 112 + 25 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 95 + 26 H 3 ct2 H O 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 93 + 27 H 3 ct2 H O 2.000E-01 0.000E+00 1.200E+01 1 1.0 0.00 90 +------------------------------------------------------------------------------------------------- +Short range atomic symmetry functions element O : +------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln +------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H 1.000E-03 0.000E+00 1.200E+01 0.00 70 + 2 O 2 ct2 O 1.000E-03 0.000E+00 1.200E+01 0.00 80 + 3 O 2 ct2 H 1.000E-02 0.000E+00 1.200E+01 0.00 71 + 4 O 2 ct2 O 1.000E-02 0.000E+00 1.200E+01 0.00 81 + 5 O 2 ct2 H 3.000E-02 0.000E+00 1.200E+01 0.00 72 + 6 O 2 ct2 O 3.000E-02 0.000E+00 1.200E+01 0.00 82 + 7 O 2 ct2 H 6.000E-02 0.000E+00 1.200E+01 0.00 73 + 8 O 2 ct2 O 6.000E-02 0.000E+00 1.200E+01 0.00 83 + 9 O 2 ct2 H 1.500E-01 9.000E-01 1.200E+01 0.00 74 + 10 O 2 ct2 O 1.500E-01 4.000E+00 1.200E+01 0.00 84 + 11 O 2 ct2 H 3.000E-01 9.000E-01 1.200E+01 0.00 75 + 12 O 2 ct2 O 3.000E-01 4.000E+00 1.200E+01 0.00 85 + 13 O 2 ct2 H 6.000E-01 9.000E-01 1.200E+01 0.00 76 + 14 O 2 ct2 O 6.000E-01 4.000E+00 1.200E+01 0.00 86 + 15 O 2 ct2 H 1.500E+00 9.000E-01 1.200E+01 0.00 77 + 16 O 2 ct2 O 1.500E+00 4.000E+00 1.200E+01 0.00 87 + 17 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 110 + 18 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 -1 4.0 0.00 120 + 19 O 3 ct2 H O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 109 + 20 O 3 ct2 O O 1.000E-03 0.000E+00 1.200E+01 1 4.0 0.00 119 + 21 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 -1 4.0 0.00 104 + 22 O 3 ct2 H H 1.000E-02 0.000E+00 1.200E+01 1 4.0 0.00 102 + 23 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 99 + 24 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 108 + 25 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 118 + 26 O 3 ct2 H H 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 97 + 27 O 3 ct2 H O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 107 + 28 O 3 ct2 O O 3.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 117 + 29 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 -1 1.0 0.00 94 + 30 O 3 ct2 H H 7.000E-02 0.000E+00 1.200E+01 1 1.0 0.00 92 +------------------------------------------------------------------------------------------------- +Minimum cutoff radius for element H: 12.000000 +Minimum cutoff radius for element O: 12.000000 +Maximum cutoff radius (global) : 12.000000 +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION MEMORY ******************************************* + +Symmetry function derivatives memory table for element H : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 15 of 27 ( 55.6 %) +- O: 19 of 27 ( 70.4 %) +------------------------------------------------------------------------------- +Symmetry function derivatives memory table for element O : +------------------------------------------------------------------------------- +Relevant symmetry functions for neighbors with element: +- H: 18 of 30 ( 60.0 %) +- O: 16 of 30 ( 53.3 %) +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION CACHE ******************************************** + +Element H: in total 4 caches, used 17.00 times on average. +Element O: in total 4 caches, used 17.00 times on average. +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION GROUPS ******************************************* + +Abbreviations: +-------------- +ind .... Symmetry function index. +ec ..... Central atom element. +tp ..... Symmetry function type. +sbtp ... Symmetry function subtype (e.g. cutoff type). +e1 ..... Neighbor 1 element. +e2 ..... Neighbor 2 element. +eta .... Gaussian width eta. +rs/rl... Shift distance of Gaussian or left cutoff radius for polynomial. +angl.... Left cutoff angle for polynomial. +angr.... Right cutoff angle for polynomial. +la ..... Angle prefactor lambda. +zeta ... Angle term exponent zeta. +rc ..... Cutoff radius / right cutoff radius for polynomial. +a ...... Free parameter alpha (e.g. cutoff alpha). +ln ..... Line number in settings file. +mi ..... Member index. +sfi .... Symmetry function index. +e ...... Recalculate exponential term. + +Short range atomic symmetry function groups element H : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 H 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 51 1 1 + - - - - - 1.000E-02 0.000E+00 - - 52 2 3 + - - - - - 3.000E-02 0.000E+00 - - 53 3 5 + - - - - - 6.000E-02 0.000E+00 - - 54 4 7 + - - - - - 1.500E-01 1.900E+00 - - 55 5 10 + - - - - - 3.000E-01 1.900E+00 - - 56 6 12 + - - - - - 6.000E-01 1.900E+00 - - 57 7 14 + - - - - - 1.500E+00 1.900E+00 - - 58 8 16 + 2 H 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 61 1 2 + - - - - - 1.000E-02 0.000E+00 - - 62 2 4 + - - - - - 3.000E-02 0.000E+00 - - 63 3 6 + - - - - - 6.000E-02 0.000E+00 - - 64 4 8 + - - - - - 1.500E-01 9.000E-01 - - 65 5 9 + - - - - - 3.000E-01 9.000E-01 - - 66 6 11 + - - - - - 6.000E-01 9.000E-01 - - 67 7 13 + - - - - - 1.500E+00 9.000E-01 - - 68 8 15 + 3 H 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 105 1 19 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 103 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 100 3 21 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 98 4 23 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 95 5 25 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 93 6 26 0 + - - - - - - 2.000E-01 0.000E+00 - 1 1.0 - 90 7 27 1 + 4 H 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 115 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 114 2 18 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 113 3 22 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 112 4 24 0 +---------------------------------------------------------------------------------------------------------- +Short range atomic symmetry function groups element O : +---------------------------------------------------------------------------------------------------------- + ind ec tp sbtp e1 e2 eta rs/rl rc angl angr la zeta a ln mi sfi e +---------------------------------------------------------------------------------------------------------- + 1 O 2 ct2 H * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 70 1 1 + - - - - - 1.000E-02 0.000E+00 - - 71 2 3 + - - - - - 3.000E-02 0.000E+00 - - 72 3 5 + - - - - - 6.000E-02 0.000E+00 - - 73 4 7 + - - - - - 1.500E-01 9.000E-01 - - 74 5 9 + - - - - - 3.000E-01 9.000E-01 - - 75 6 11 + - - - - - 6.000E-01 9.000E-01 - - 76 7 13 + - - - - - 1.500E+00 9.000E-01 - - 77 8 15 + 2 O 2 ct2 O * * 1.200E+01 0.00 * * * + - - - - - 1.000E-03 0.000E+00 - - 80 1 2 + - - - - - 1.000E-02 0.000E+00 - - 81 2 4 + - - - - - 3.000E-02 0.000E+00 - - 82 3 6 + - - - - - 6.000E-02 0.000E+00 - - 83 4 8 + - - - - - 1.500E-01 4.000E+00 - - 84 5 10 + - - - - - 3.000E-01 4.000E+00 - - 85 6 12 + - - - - - 6.000E-01 4.000E+00 - - 86 7 14 + - - - - - 1.500E+00 4.000E+00 - - 87 8 16 + 3 O 3 ct2 H H * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-02 0.000E+00 - -1 4.0 - 104 1 21 1 + - - - - - - 1.000E-02 0.000E+00 - 1 4.0 - 102 2 22 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 99 3 23 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 97 4 26 0 + - - - - - - 7.000E-02 0.000E+00 - -1 1.0 - 94 5 29 1 + - - - - - - 7.000E-02 0.000E+00 - 1 1.0 - 92 6 30 0 + 4 O 3 ct2 H O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 110 1 17 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 109 2 19 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 108 3 24 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 107 4 27 0 + 5 O 3 ct2 O O * * 1.200E+01 * * 0.00 * * * * + - - - - - - 1.000E-03 0.000E+00 - -1 4.0 - 120 1 18 1 + - - - - - - 1.000E-03 0.000E+00 - 1 4.0 - 119 2 20 0 + - - - - - - 3.000E-02 0.000E+00 - -1 1.0 - 118 3 25 1 + - - - - - - 3.000E-02 0.000E+00 - 1 1.0 - 117 4 28 0 +---------------------------------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: NEURAL NETWORKS **************************************************** + +Normalize neurons (all elements): 0 +------------------------------------------------------------------------------- +Atomic short range NN for element H : +Number of weights : 1325 +Number of biases : 51 +Number of connections: 1376 +Architecture 27 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G +------------------------------------------------------------------------------- +Atomic short range NN for element O : +Number of weights : 1400 +Number of biases : 51 +Number of connections: 1451 +Architecture 30 25 25 1 +------------------------------------------------------------------------------- + 1 G t t l + 2 G t t + 3 G t t + 4 G t t + 5 G t t + 6 G t t + 7 G t t + 8 G t t + 9 G t t + 10 G t t + 11 G t t + 12 G t t + 13 G t t + 14 G t t + 15 G t t + 16 G t t + 17 G t t + 18 G t t + 19 G t t + 20 G t t + 21 G t t + 22 G t t + 23 G t t + 24 G t t + 25 G t t + 26 G + 27 G + 28 G + 29 G + 30 G +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION SCALING ****************************************** + +Equal scaling type for all symmetry functions: +Scaling type::ST_SCALECENTER (3) +Gs = Smin + (Smax - Smin) * (G - Gmean) / (Gmax - Gmin) +Smin = 0.000000 +Smax = 1.000000 +Symmetry function scaling statistics from file: hdnnp-data/scaling.data +------------------------------------------------------------------------------- + +Abbreviations: +-------------- +ind ..... Symmetry function index. +min ..... Minimum symmetry function value. +max ..... Maximum symmetry function value. +mean .... Mean symmetry function value. +sigma ... Standard deviation of symmetry function values. +sf ...... Scaling factor for derivatives. +Smin .... Desired minimum scaled symmetry function value. +Smax .... Desired maximum scaled symmetry function value. +t ....... Scaling type. + +Scaling data for symmetry functions element H : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.09E+00 9.62E+00 2.27E+00 6.79E-01 1.17E-01 0.00 1.00 3 + 2 7.33E-01 5.00E+00 1.33E+00 3.39E-01 2.34E-01 0.00 1.00 3 + 3 7.60E-01 7.14E+00 1.65E+00 5.08E-01 1.57E-01 0.00 1.00 3 + 4 5.48E-01 3.77E+00 1.02E+00 2.54E-01 3.11E-01 0.00 1.00 3 + 5 4.01E-01 4.15E+00 9.09E-01 2.98E-01 2.67E-01 0.00 1.00 3 + 6 3.62E-01 2.27E+00 6.49E-01 1.48E-01 5.25E-01 0.00 1.00 3 + 7 1.89E-01 2.23E+00 4.57E-01 1.60E-01 4.90E-01 0.00 1.00 3 + 8 2.67E-01 1.32E+00 4.24E-01 8.05E-02 9.49E-01 0.00 1.00 3 + 9 2.45E-01 9.48E-01 3.62E-01 5.30E-02 1.42E+00 0.00 1.00 3 + 10 2.22E-01 2.76E+00 5.39E-01 2.01E-01 3.94E-01 0.00 1.00 3 + 11 1.47E-01 5.56E-01 2.68E-01 2.62E-02 2.45E+00 0.00 1.00 3 + 12 9.91E-02 1.73E+00 2.96E-01 1.16E-01 6.14E-01 0.00 1.00 3 + 13 6.51E-02 3.45E-01 1.85E-01 1.97E-02 3.57E+00 0.00 1.00 3 + 14 3.17E-02 9.13E-01 1.50E-01 5.35E-02 1.13E+00 0.00 1.00 3 + 15 2.92E-03 2.65E-01 7.65E-02 1.88E-02 3.82E+00 0.00 1.00 3 + 16 3.21E-04 2.87E-01 4.58E-02 2.33E-02 3.49E+00 0.00 1.00 3 + 17 2.47E-04 1.38E-01 1.77E-02 9.75E-03 7.23E+00 0.00 1.00 3 + 18 5.10E-03 5.83E-01 2.39E-02 3.78E-02 1.73E+00 0.00 1.00 3 + 19 3.23E-04 2.16E-01 1.71E-02 1.40E-02 4.63E+00 0.00 1.00 3 + 20 4.96E-02 1.69E+00 1.45E-01 1.10E-01 6.11E-01 0.00 1.00 3 + 21 3.41E-03 3.16E-01 1.84E-02 2.01E-02 3.20E+00 0.00 1.00 3 + 22 1.31E-04 1.03E-01 6.37E-03 6.61E-03 9.76E+00 0.00 1.00 3 + 23 3.38E-02 9.16E-01 8.13E-02 5.79E-02 1.13E+00 0.00 1.00 3 + 24 4.17E-04 1.58E-01 4.66E-03 9.86E-03 6.35E+00 0.00 1.00 3 + 25 7.35E-04 5.92E-02 3.70E-03 3.31E-03 1.71E+01 0.00 1.00 3 + 26 8.98E-03 1.94E-01 2.41E-02 1.10E-02 5.40E+00 0.00 1.00 3 + 27 2.12E-04 8.78E-03 2.06E-03 5.88E-04 1.17E+02 0.00 1.00 3 +------------------------------------------------------------------------------- +Scaling data for symmetry functions element O : +------------------------------------------------------------------------------- + ind min max mean sigma sf Smin Smax t +------------------------------------------------------------------------------- + 1 1.51E+00 1.00E+01 2.65E+00 6.78E-01 1.18E-01 0.00 1.00 3 + 2 4.44E-01 4.62E+00 9.66E-01 3.37E-01 2.39E-01 0.00 1.00 3 + 3 1.19E+00 7.53E+00 2.03E+00 5.06E-01 1.58E-01 0.00 1.00 3 + 4 2.76E-01 3.39E+00 6.59E-01 2.50E-01 3.21E-01 0.00 1.00 3 + 5 8.06E-01 4.54E+00 1.30E+00 2.94E-01 2.68E-01 0.00 1.00 3 + 6 1.05E-01 1.89E+00 3.07E-01 1.42E-01 5.60E-01 0.00 1.00 3 + 7 5.69E-01 2.62E+00 8.48E-01 1.57E-01 4.89E-01 0.00 1.00 3 + 8 2.33E-02 9.36E-01 1.11E-01 6.98E-02 1.10E+00 0.00 1.00 3 + 9 5.14E-01 1.85E+00 7.25E-01 9.80E-02 7.46E-01 0.00 1.00 3 + 10 1.11E-01 2.91E+00 4.75E-01 2.34E-01 3.57E-01 0.00 1.00 3 + 11 3.53E-01 1.07E+00 5.35E-01 4.52E-02 1.39E+00 0.00 1.00 3 + 12 3.04E-02 2.53E+00 3.17E-01 2.10E-01 4.00E-01 0.00 1.00 3 + 13 1.60E-01 6.63E-01 3.70E-01 3.08E-02 1.99E+00 0.00 1.00 3 + 14 2.78E-03 2.30E+00 1.77E-01 1.86E-01 4.35E-01 0.00 1.00 3 + 15 9.56E-03 3.91E-01 1.53E-01 2.79E-02 2.62E+00 0.00 1.00 3 + 16 3.75E-06 2.04E+00 5.41E-02 1.43E-01 4.91E-01 0.00 1.00 3 + 17 2.47E-03 3.43E-01 1.67E-02 2.19E-02 2.93E+00 0.00 1.00 3 + 18 1.74E-05 5.63E-02 9.55E-04 3.36E-03 1.78E+01 0.00 1.00 3 + 19 5.48E-02 3.02E+00 2.04E-01 2.01E-01 3.37E-01 0.00 1.00 3 + 20 1.38E-03 4.99E-01 1.28E-02 3.18E-02 2.01E+00 0.00 1.00 3 + 21 6.69E-03 2.67E-01 3.09E-02 1.71E-02 3.84E+00 0.00 1.00 3 + 22 1.70E-02 1.42E+00 7.63E-02 9.29E-02 7.14E-01 0.00 1.00 3 + 23 1.98E-02 4.08E-01 4.88E-02 2.55E-02 2.58E+00 0.00 1.00 3 + 24 5.28E-04 2.33E-01 7.21E-03 1.45E-02 4.30E+00 0.00 1.00 3 + 25 1.11E-05 3.53E-02 4.25E-04 2.05E-03 2.83E+01 0.00 1.00 3 + 26 1.60E-02 8.22E-01 5.08E-02 5.28E-02 1.24E+00 0.00 1.00 3 + 27 3.99E-03 7.86E-01 3.69E-02 5.05E-02 1.28E+00 0.00 1.00 3 + 28 4.05E-05 9.84E-02 1.21E-03 5.79E-03 1.02E+01 0.00 1.00 3 + 29 6.04E-03 9.93E-02 1.62E-02 5.52E-03 1.07E+01 0.00 1.00 3 + 30 2.96E-03 1.55E-01 1.16E-02 8.94E-03 6.59E+00 0.00 1.00 3 +------------------------------------------------------------------------------- +******************************************************************************* + +*** SETUP: SYMMETRY FUNCTION STATISTICS *************************************** + +Equal symmetry function statistics for all elements. +Collect min/max/mean/sigma : 0 +Collect extrapolation warnings : 1 +Write extrapolation warnings immediately to stderr: 0 +Halt on any extrapolation warning : 0 +******************************************************************************* + +*** SETUP: NEURAL NETWORK WEIGHTS ********************************************* + +Short NN weight file name format: hdnnp-data/weights.%03d.data +Setting short NN weights for element H from file: hdnnp-data/weights.001.data +Setting short NN weights for element O from file: hdnnp-data/weights.008.data +******************************************************************************* + +*** SETUP: LAMMPS INTERFACE *************************************************** + +Individual extrapolation warnings will not be shown. +Extrapolation warning summary will be shown every 5 timesteps. +The simulation will be stopped when 100 extrapolation warnings are exceeded. +Extrapolation warnings are accumulated over all time steps. +------------------------------------------------------------------------------- +CAUTION: If the LAMMPS unit system differs from the one used + during NN training, appropriate conversion factors + must be provided (see keywords cflength and cfenergy). + +Length unit conversion factor: 1.8897261327999999E+00 +Energy unit conversion factor: 3.6749325399999998E-02 + +Checking consistency of cutoff radii (in LAMMPS units): +LAMMPS Cutoff (via pair_coeff) : 6.360E+00 +Maximum symmetry function cutoff: 6.350E+00 +Cutoff radii are consistent. +------------------------------------------------------------------------------- +Element mapping string from LAMMPS to n2p2: "2:H,3:O" + +CAUTION: Please ensure that this mapping between LAMMPS + atom types and NNP elements is consistent: + +--------------------------- +LAMMPS type | NNP element +--------------------------- + 1 <-> -- + 2 <-> H ( 1) + 3 <-> O ( 8) +--------------------------- + +NNP setup for LAMMPS completed. +******************************************************************************* +Neighbor list info ... + update: every = 1 steps, delay = 0 steps, check = yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 8.36 + ghost atom cutoff = 8.36 + binsize = 4.18, bins = 6 6 6 + 4 neighbor lists, perpetual/occasional/extra = 4 0 0 + (1) pair lj/cut, perpetual, skip from (3) + attributes: half, newton on, cut 8 + pair build: skip + stencil: none + bin: none + (2) pair hdnnp, perpetual, skip from (4) + attributes: full, newton on + pair build: skip + stencil: none + bin: none + (3) neighbor class addition, perpetual, half/full trim from (4) + attributes: half, newton on, cut 8 + pair build: halffull/newton/trim + stencil: none + bin: none + (4) neighbor class addition, perpetual + attributes: full, newton on + pair build: full/bin/atomonly + stencil: full/bin/3d + bin: standard +### NNP EW SUMMARY ### TS: 0 EW 0 EWPERSTEP 0.000e+00 +Per MPI rank memory allocation (min/avg/max) = 5.024 | 5.024 | 5.024 Mbytes + Step Temp E_pair E_mol TotEng Press + 0 0 -750069.48 0 -750069.48 -5297.5537 + 1 8.5815594 -750070.71 0 -750069.51 -5249.2914 + 2 30.988787 -750073.91 0 -750069.59 -5023.6945 + 3 58.859866 -750077.88 0 -750069.67 -4427.8346 + 4 82.576399 -750081.26 0 -750069.74 -3275.4378 +### NNP EW SUMMARY ### TS: 5 EW 0 EWPERSTEP 0.000e+00 + 5 94.968097 -750083.01 0 -750069.76 -1511.6733 + 6 93.724286 -750082.8 0 -750069.73 709.20465 + 7 82.243957 -750081.13 0 -750069.66 3020.5084 + 8 68.611429 -750079.14 0 -750069.57 4922.5176 + 9 62.314385 -750078.21 0 -750069.51 5933.1543 +### NNP EW SUMMARY ### TS: 10 EW 0 EWPERSTEP 0.000e+00 + 10 69.501045 -750079.21 0 -750069.52 5761.8646 +Loop time of 0.936871 on 4 procs for 10 steps with 1080 atoms + +Performance: 0.461 ns/day, 52.048 hours/ns, 10.674 timesteps/s, 11.528 katom-step/s +99.6% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.86567 | 0.89891 | 0.93611 | 3.1 | 95.95 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0.00035446 | 0.037585 | 0.070835 | 15.3 | 4.01 +Output | 0.00018528 | 0.00023648 | 0.00030553 | 0.0 | 0.03 +Modify | 4.2224e-05 | 4.4078e-05 | 4.6256e-05 | 0.0 | 0.00 +Other | | 9.307e-05 | | | 0.01 + +Nlocal: 270 ave 278 max 262 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 2552 ave 2564 max 2541 min +Histogram: 1 0 1 0 0 0 1 0 0 1 +Neighs: 0 ave 0 max 0 min +Histogram: 4 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 0 +Ave neighs/atom = 0 +Neighbor list builds = 0 +Dangerous builds = 0 +Total wall time: 0:00:01 diff --git a/examples/PACKAGES/pace/plugin/CMakeLists.txt b/examples/PACKAGES/pace/plugin/CMakeLists.txt index 25fa877ffc..0701a754c4 100644 --- a/examples/PACKAGES/pace/plugin/CMakeLists.txt +++ b/examples/PACKAGES/pace/plugin/CMakeLists.txt @@ -1,10 +1,9 @@ -########################################## -# CMake build system for plugin examples. +# -*- CMake -*- build system for plugin examples. # The is meant to be used as a template for plugins that are # distributed independent from the LAMMPS package. ########################################## -cmake_minimum_required(VERSION 3.10) +cmake_minimum_required(VERSION 3.16) project(paceplugin VERSION 1.0 LANGUAGES CXX) diff --git a/examples/README b/examples/README index 0feb763376..62a09f654d 100644 --- a/examples/README +++ b/examples/README @@ -91,7 +91,6 @@ mesh: create_atoms mesh command micelle: self-assembly of small lipid-like molecules into 2d bilayers min: energy minimization of 2d LJ melt mliap: examples for using several bundled MLIAP potentials -mscg: parameterize a multi-scale coarse-graining (MSCG) model msst: MSST shock dynamics nb3b: use of nonbonded 3-body harmonic pair style neb: nudged elastic band (NEB) calculation for barrier finding diff --git a/examples/kim/plugin/CMakeLists.txt b/examples/kim/plugin/CMakeLists.txt index 78d117469d..999214f9b8 100644 --- a/examples/kim/plugin/CMakeLists.txt +++ b/examples/kim/plugin/CMakeLists.txt @@ -1,10 +1,9 @@ -########################################## -# CMake build system for plugin examples. +# -*- CMake -*- file for building plugins. # The is meant to be used as a template for plugins that are # distributed independent from the LAMMPS package. ########################################## -cmake_minimum_required(VERSION 3.10) +cmake_minimum_required(VERSION 3.16) project(kimplugin VERSION 1.0 LANGUAGES CXX) @@ -31,12 +30,7 @@ target_link_libraries(kimplugin PRIVATE KIM-API::kim-api) # need libcurl find_package(CURL) if(CURL_FOUND) - if(CMAKE_VERSION VERSION_LESS 3.12) - target_include_directories(kimplugin PRIVATE ${CURL_INCLUDE_DIRS}) - target_link_libraries(kimplugin PRIVATE ${CURL_LIBRARIES}) - else() - target_link_libraries(kimplugin PRIVATE CURL::libcurl) - endif() + target_link_libraries(kimplugin PRIVATE CURL::libcurl) target_compile_definitions(kimplugin PRIVATE -DLMP_KIM_CURL) set(LMP_DEBUG_CURL OFF CACHE STRING "Set libcurl verbose mode on/off. If on, it displays a lot of verbose information about its operations.") mark_as_advanced(LMP_DEBUG_CURL) diff --git a/examples/mscg/README b/examples/mscg/README deleted file mode 100644 index f8a1f718fe..0000000000 --- a/examples/mscg/README +++ /dev/null @@ -1,10 +0,0 @@ -Running this example requires that LAMMPS be built with the MSCG -package and its fix mscg command. The fix uses the Multi-Scale -Coarse-Graining (MS-CG) library, freely available at -https://github.com/uchicago-voth/MSCG-release, to compute optimized -coarse-grained force field parameters. The MS-CG library was -developed by Jacob Wagner in Greg Voth's group at the University of -Chicago. - -See the lib/mscg/README file for instructions on how to download and -install the MS-CG library for use with LAMMPS. diff --git a/examples/mscg/control.in b/examples/mscg/control.in deleted file mode 100644 index 20e5f4334a..0000000000 --- a/examples/mscg/control.in +++ /dev/null @@ -1,12 +0,0 @@ -block_size 1 -start_frame 1 -n_frames 19 -nonbonded_cutoff 10.0 -basis_type 0 -primary_output_style 0 -output_solution_flag 1 -output_spline_coeffs_flag 1 -pair_nonbonded_bspline_basis_order 6 -pair_nonbonded_basis_set_resolution 0.7 -pair_nonbonded_output_binwidth 0.1 -matrix_type 0 diff --git a/examples/mscg/data.meoh b/examples/mscg/data.meoh deleted file mode 100644 index aa578b0584..0000000000 --- a/examples/mscg/data.meoh +++ /dev/null @@ -1,1015 +0,0 @@ -LAMMPS data file via write_data, version 16 Feb 2016, timestep = 0 - -1000 atoms -1 atom types - --2.0691700000000001e+01 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-0.999650 2.340630 2.082750 -992 992 1 -0.000000 32.041000 16.642073 17.477582 17.297836 -6.735340 -3.853470 -6.353174 -993 993 1 -0.000000 32.041000 19.704449 8.032584 18.544100 0.483040 3.245828 1.556779 -994 994 1 -0.000000 32.041000 16.995184 16.197959 11.865512 -1.411798 -1.486064 13.788090 -995 995 1 -0.000000 32.041000 13.017184 10.851836 17.722928 -1.233850 2.321750 5.042320 -996 996 1 -0.000000 32.041000 12.922700 13.045074 15.095695 -0.832750 20.652280 6.953270 -997 997 1 -0.000000 32.041000 12.370815 15.797849 17.836188 2.572556 -3.654835 4.951481 -998 998 1 0.000000 32.041000 13.759797 17.427343 15.489885 0.655660 1.890830 -1.714500 -999 999 1 -0.000000 32.041000 16.986368 12.995883 15.869635 -7.528310 3.446474 -7.479613 -1000 1000 1 -0.000000 32.041000 17.181272 10.234377 13.542101 1.702770 7.961170 3.403430 diff --git a/examples/mscg/in.mscg b/examples/mscg/in.mscg deleted file mode 100644 index f16163a599..0000000000 --- a/examples/mscg/in.mscg +++ /dev/null @@ -1,22 +0,0 @@ -units real -atom_style full -pair_style zero 10.0 - -read_data data.meoh -pair_coeff * * - -thermo 1 -thermo_style custom step - -# Test 1a: range finder functionality -fix 1 all mscg 1 range on -rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz -print "TEST_1a mscg range finder" -unfix 1 - -# Test 1b: force matching functionality -fix 1 all mscg 1 -rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz -print "TEST_1b mscg force matching" - -print TEST_DONE diff --git a/examples/mscg/log.16Mar23.g++.1 b/examples/mscg/log.16Mar23.g++.1 deleted file mode 100644 index 8c99fd3e15..0000000000 --- a/examples/mscg/log.16Mar23.g++.1 +++ /dev/null @@ -1,105 +0,0 @@ -LAMMPS (8 Feb 2023) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) - using 1 OpenMP thread(s) per MPI task -units real -atom_style full -pair_style zero 10.0 - -read_data data.meoh -Reading data file ... - orthogonal box = (-20.6917 -20.6917 -20.6917) to (20.6917 20.6917 20.6917) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 1000 atoms -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 0 0 - special bond factors coul: 0 0 0 - 0 = max # of 1-2 neighbors - 0 = max # of 1-3 neighbors - 0 = max # of 1-4 neighbors - 1 = max # of special neighbors - special bonds CPU = 0.000 seconds - read_data CPU = 0.007 seconds -pair_coeff * * - -thermo 1 -thermo_style custom step - -# Test 1a: range finder functionality -fix 1 all mscg 1 range on -rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz -WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60) -Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule -Neighbor list info ... - update: every = 1 steps, delay = 0 steps, check = yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 12 - ghost atom cutoff = 12 - binsize = 6, bins = 7 7 7 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair zero, perpetual - attributes: half, newton on - pair build: half/bin/newton - stencil: half/bin/3d - bin: standard -Per MPI rank memory allocation (min/avg/max) = 6.045 | 6.045 | 6.045 Mbytes - Step - 0 - 250 - 500 - 750 - 1000 - 1250 - 1500 - 1750 - 2000 - 2250 - 2500 - 2750 - 3000 - 3250 - 3500 - 3750 - 4000 - 4250 - 4500 -Loop time of 0.245891 on 1 procs for 19 steps with 1000 atoms - -print "TEST_1a mscg range finder" -TEST_1a mscg range finder -unfix 1 - -# Test 1b: force matching functionality -fix 1 all mscg 1 -rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz -WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60) -Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule -Per MPI rank memory allocation (min/avg/max) = 6.045 | 6.045 | 6.045 Mbytes - Step - 0 - 250 - 500 - 750 - 1000 - 1250 - 1500 - 1750 - 2000 - 2250 - 2500 - 2750 - 3000 - 3250 - 3500 - 3750 - 4000 - 4250 - 4500 -Loop time of 0.433986 on 1 procs for 19 steps with 1000 atoms - -print "TEST_1b mscg force matching" -TEST_1b mscg force matching - -print TEST_DONE -TEST_DONE -Total wall time: 0:00:00 diff --git a/examples/mscg/output_16Mar23/1_1.dat b/examples/mscg/output_16Mar23/1_1.dat deleted file mode 100644 index d73cd05fe6..0000000000 --- a/examples/mscg/output_16Mar23/1_1.dat +++ /dev/null @@ -1,71 +0,0 @@ -3.000000 9.109433117503674e+00 -3.100000 6.562933520937051e+00 -3.200000 3.803570347770783e+00 -3.300000 1.524835163098694e+00 -3.400000 3.680752991750511e-02 -3.500000 -6.369395346711866e-01 -3.600000 -6.624341032589213e-01 -3.700000 -2.983998819283989e-01 -3.800000 1.996942072449469e-01 -3.900000 6.507540486137935e-01 -4.000000 9.561503221901252e-01 -4.100000 1.082978861799261e+00 -4.200000 1.046366050930359e+00 -4.300000 8.917742185869113e-01 -4.400000 6.773070351372578e-01 -4.500000 4.561974686292022e-01 -4.600000 2.640422255436971e-01 -4.700000 1.180848207166380e-01 -4.800000 2.124502216672507e-02 -4.900000 -3.366915456585443e-02 -5.000000 -5.974945208074427e-02 -5.100000 -7.177537677873873e-02 -5.200000 -8.204929079011507e-02 -5.300000 -9.745573177789707e-02 -5.400000 -1.196283642109915e-01 -5.500000 -1.463411396781238e-01 -5.600000 -1.729465415853768e-01 -5.700000 -1.938138298537278e-01 -5.800000 -2.037672856165882e-01 -5.900000 -1.995060297815394e-01 -6.000000 -1.805447650094144e-01 -6.100000 -1.489384048916932e-01 -6.200000 -1.085276302304308e-01 -6.300000 -6.416601955090541e-02 -6.400000 -2.094717961426480e-02 -6.500000 1.656812406982645e-02 -6.600000 4.511482523443927e-02 -6.700000 6.322611594801032e-02 -6.800000 7.107524696431811e-02 -6.900000 7.005702917383723e-02 -7.000000 6.235932355899154e-02 -7.100000 5.053453114940768e-02 -7.200000 3.707108297716843e-02 -7.300000 2.397003518601587e-02 -7.400000 1.245439896007831e-02 -7.500000 3.015413982707119e-03 -7.600000 -4.408442264121739e-03 -7.700000 -1.024733994435217e-02 -7.800000 -1.511598231239246e-02 -7.900000 -1.962949115765983e-02 -8.000000 -2.422153184874873e-02 -8.100000 -2.902066868449916e-02 -8.200000 -3.387453677654857e-02 -8.300000 -3.843224513464188e-02 -8.400000 -4.222901944115068e-02 -8.500000 -4.477084482559266e-02 -8.600000 -4.561910863915099e-02 -8.700000 -4.447439067652353e-02 -8.800000 -4.123808661911404e-02 -8.900000 -3.601776131390161e-02 -9.000000 -2.911033476210515e-02 -9.100000 -2.098441550402311e-02 -9.200000 -1.226263400387303e-02 -9.300000 -3.703976034631109e-03 -9.400000 3.815231963949414e-03 -9.500000 9.355387087425532e-03 -9.600000 1.205664749783030e-02 -9.700000 1.131702059340882e-02 -9.800000 6.971799313021964e-03 -9.900000 -5.270015594498346e-04 -10.000000 -9.931209090702869e-03 diff --git a/examples/mscg/output_16Mar23/1_1.table b/examples/mscg/output_16Mar23/1_1.table deleted file mode 100644 index 148d909ad3..0000000000 --- a/examples/mscg/output_16Mar23/1_1.table +++ /dev/null @@ -1,104 +0,0 @@ -# Header information on force file - -1_1 -N 99 R 0.200000 10.000000 - -1 0.200000 127.263594 80.411422 -2 0.300000 119.349776 77.864922 -3 0.400000 111.690609 75.318423 -4 0.500000 104.286092 72.771923 -5 0.600000 97.136225 70.225423 -6 0.700000 90.241007 67.678924 -7 0.800000 83.600440 65.132424 -8 0.900000 77.214522 62.585925 -9 1.000000 71.083255 60.039425 -10 1.100000 65.206637 57.492925 -11 1.200000 59.584670 54.946426 -12 1.300000 54.217352 52.399926 -13 1.400000 49.104684 49.853427 -14 1.500000 44.246667 47.306927 -15 1.600000 39.643299 44.760427 -16 1.700000 35.294581 42.213928 -17 1.800000 31.200513 39.667428 -18 1.900000 27.361096 37.120929 -19 2.000000 23.776328 34.574429 -20 2.100000 20.446210 32.027929 -21 2.200000 17.370742 29.481430 -22 2.300000 14.549924 26.934930 -23 2.400000 11.983756 24.388431 -24 2.500000 9.672238 21.841931 -25 2.600000 7.615370 19.295432 -26 2.700000 5.813151 16.748932 -27 2.800000 4.265583 14.202432 -28 2.900000 2.972665 11.655933 -29 3.000000 1.934397 9.109433 -30 3.100000 1.150778 6.562934 -31 3.200000 0.632453 3.803570 -32 3.300000 0.366033 1.524835 -33 3.400000 0.287951 0.036808 -34 3.500000 0.317957 -0.636940 -35 3.600000 0.382926 -0.662434 -36 3.700000 0.430968 -0.298400 -37 3.800000 0.435903 0.199694 -38 3.900000 0.393381 0.650754 -39 4.000000 0.313035 0.956150 -40 4.100000 0.211079 1.082979 -41 4.200000 0.104612 1.046366 -42 4.300000 0.007705 0.891774 -43 4.400000 -0.070749 0.677307 -44 4.500000 -0.127425 0.456197 -45 4.600000 -0.163437 0.264042 -46 4.700000 -0.182543 0.118085 -47 4.800000 -0.189509 0.021245 -48 4.900000 -0.188888 -0.033669 -49 5.000000 -0.184217 -0.059749 -50 5.100000 -0.177641 -0.071775 -51 5.200000 -0.169950 -0.082049 -52 5.300000 -0.160975 -0.097456 -53 5.400000 -0.150120 -0.119628 -54 5.500000 -0.136822 -0.146341 -55 5.600000 -0.120858 -0.172947 -56 5.700000 -0.102520 -0.193814 -57 5.800000 -0.082640 -0.203767 -58 5.900000 -0.062477 -0.199506 -59 6.000000 -0.043474 -0.180545 -60 6.100000 -0.027000 -0.148938 -61 6.200000 -0.014127 -0.108528 -62 6.300000 -0.005492 -0.064166 -63 6.400000 -0.001236 -0.020947 -64 6.500000 -0.001018 0.016568 -65 6.600000 -0.004102 0.045115 -66 6.700000 -0.009519 0.063226 -67 6.800000 -0.016234 0.071075 -68 6.900000 -0.023290 0.070057 -69 7.000000 -0.029911 0.062359 -70 7.100000 -0.035556 0.050535 -71 7.200000 -0.039936 0.037071 -72 7.300000 -0.042988 0.023970 -73 7.400000 -0.044809 0.012454 -74 7.500000 -0.045583 0.003015 -75 7.600000 -0.045513 -0.004408 -76 7.700000 -0.044781 -0.010247 -77 7.800000 -0.043512 -0.015116 -78 7.900000 -0.041775 -0.019629 -79 8.000000 -0.039583 -0.024222 -80 8.100000 -0.036920 -0.029021 -81 8.200000 -0.033776 -0.033875 -82 8.300000 -0.030160 -0.038432 -83 8.400000 -0.026127 -0.042229 -84 8.500000 -0.021777 -0.044771 -85 8.600000 -0.017258 -0.045619 -86 8.700000 -0.012753 -0.044474 -87 8.800000 -0.008467 -0.041238 -88 8.900000 -0.004605 -0.036018 -89 9.000000 -0.001348 -0.029110 -90 9.100000 0.001156 -0.020984 -91 9.200000 0.002819 -0.012263 -92 9.300000 0.003617 -0.003704 -93 9.400000 0.003612 0.003815 -94 9.500000 0.002953 0.009355 -95 9.600000 0.001882 0.012057 -96 9.700000 0.000714 0.011317 -97 9.800000 -0.000201 0.006972 -98 9.900000 -0.000523 -0.000527 -99 10.000000 0.000000 -0.009931 diff --git a/examples/mscg/output_16Mar23/b-spline.out b/examples/mscg/output_16Mar23/b-spline.out deleted file mode 100644 index 8571ede9b7..0000000000 --- a/examples/mscg/output_16Mar23/b-spline.out +++ /dev/null @@ -1,2 +0,0 @@ -n: 1 1 6 11 3.000000000000000e+00 1.000000000000000e+01 -9.109454054135307e+00 6.178334150703818e+00 -6.242976259059743e+00 4.778144787445235e+00 -1.082885612852992e+00 4.521835893850554e-01 -6.477047196208028e-01 2.947887062333265e-01 -4.195609079009661e-02 1.111775827831465e-02 -8.823466147380592e-02 -1.696076806027540e-02 3.192205281984208e-02 3.656991607866288e-03 -9.931306149957592e-03 diff --git a/examples/mscg/output_16Mar23/rmin.in b/examples/mscg/output_16Mar23/rmin.in deleted file mode 100644 index 0cf80d7e12..0000000000 --- a/examples/mscg/output_16Mar23/rmin.in +++ /dev/null @@ -1 +0,0 @@ -1 1 2.852369 10.000000 fm diff --git a/examples/mscg/output_16Mar23/rmin_b.in b/examples/mscg/output_16Mar23/rmin_b.in deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/examples/mscg/output_16Mar23/sol_info.out b/examples/mscg/output_16Mar23/sol_info.out deleted file mode 100644 index eb4460f9ce..0000000000 --- a/examples/mscg/output_16Mar23/sol_info.out +++ /dev/null @@ -1,17 +0,0 @@ -fm_matrix_rows:3000; fm_matrix_columns:15; -Singular vector: -2.307693e+00 -1.998418e+00 -1.400114e+00 -1.183608e+00 -9.718949e-01 -7.471241e-01 -5.277965e-01 -5.084369e-01 -3.510398e-01 -2.997000e-01 -2.142454e-01 -1.201800e-01 -7.143923e-02 -3.077326e-02 -1.835581e-02 diff --git a/examples/mscg/output_16Mar23/x.out b/examples/mscg/output_16Mar23/x.out deleted file mode 100644 index d9ae514466..0000000000 --- a/examples/mscg/output_16Mar23/x.out +++ /dev/null @@ -1,2 +0,0 @@ -ýÙ\ -8"@Ÿ!D:¶@Îv¹ÄÎøÀH…¶üÑ@H3HÝSñ¿Ô– p“ðÜ??ÿ¹ä¿€% sÑÝÒ?:yŸËD{¥¿Œz®AèĆ?#Tgù‹–¶¿l#‰à)^‘¿ÂÊÃYX ?KçpkDõm?ª ÷XÝV„¿ \ No newline at end of file diff --git a/examples/plugins/CMakeLists.txt b/examples/plugins/CMakeLists.txt index 688835de56..8771b29121 100644 --- a/examples/plugins/CMakeLists.txt +++ b/examples/plugins/CMakeLists.txt @@ -1,10 +1,9 @@ -########################################## -# CMake build system for plugin examples. +# -*- CMake -*- file for plugin examples. # The is meant to be used as a template for plugins that are # distributed independent from the LAMMPS package. ########################################## -cmake_minimum_required(VERSION 3.10) +cmake_minimum_required(VERSION 3.16) # enforce out-of-source build if(${CMAKE_SOURCE_DIR} STREQUAL ${CMAKE_BINARY_DIR}) @@ -36,9 +35,8 @@ else() add_compile_options(/Zc:__cplusplus) add_compile_options(/wd4244) add_compile_options(/wd4267) - if(LAMMPS_EXCEPTIONS) - add_compile_options(/EHsc) - endif() + add_compile_options(/wd4250) + add_compile_options(/EHsc) endif() add_compile_definitions(_CRT_SECURE_NO_WARNINGS) endif() diff --git a/lib/README b/lib/README index 255077bb1b..bf6830574b 100644 --- a/lib/README +++ b/lib/README @@ -41,8 +41,6 @@ mdi hooks to the MDI library, used by MDI package from Taylor Barnes (MolSSI at Virginia Tech) molfile hooks to VMD molfile plugins, used by the MOLFILE package from Axel Kohlmeyer (Temple U) and the VMD development team -mscg hooks to the MSCG library, used by fix_mscg command - from Jacob Wagner and Greg Voth group (U Chicago) netcdf hooks to a NetCDF library installed on your system from Lars Pastewka (Karlsruhe Institute of Technology) plugin settings to load styles into LAMMPS from plugins diff --git a/lib/awpmd/ivutils/include/wavepacket.h b/lib/awpmd/ivutils/include/wavepacket.h index 5a787f0809..24e849c880 100644 --- a/lib/awpmd/ivutils/include/wavepacket.h +++ b/lib/awpmd/ivutils/include/wavepacket.h @@ -23,7 +23,7 @@ class WavePacket; ///\en Template for v=der operation in \ref Wavepacket::int2phys_der() template -struct eq_second : public binary_function { +struct eq_second { Type operator()(const Type& /* _Left */, const Type& _Right) const{ return _Right; } @@ -31,7 +31,7 @@ struct eq_second : public binary_function { ///\en Template for v=-der operation in \ref Wavepacket::int2phys_der() template -struct eq_minus_second : public binary_function { +struct eq_minus_second { Type operator()(const Type& /* _Left */, const Type& _Right) const{ return -_Right; } diff --git a/lib/gpu/lal_device.cpp b/lib/gpu/lal_device.cpp index cbf3f5f885..70ba373a65 100644 --- a/lib/gpu/lal_device.cpp +++ b/lib/gpu/lal_device.cpp @@ -29,7 +29,7 @@ const char *ocl_prefetch_test = " #if (NBOR_PREFETCH == 1) \n"\ " inline void ucl_prefetch(const __global int *p) { prefetch(p, 1); } \n"\ -" #else \n"\ +" #elif (NBOR_PREFETCH == 2) \n"\ " enum LSC_LDCC {LSC_LDCC_DEFAULT, LSC_LDCC_L1UC_L3UC, LSC_LDCC_L1UC_L3C, \n"\ " LSC_LDCC_L1C_L3UC, LSC_LDCC_L1C_L3C, LSC_LDCC_L1S_L3UC, \n"\ " LSC_LDCC_L1S_L3C, LSC_LDCC_L1IAR_L3C, }; \n"\ @@ -745,7 +745,14 @@ void DeviceT::estimate_gpu_overhead(const int kernel_calls, gpu_overhead=0.0; gpu_driver_overhead=0.0; - for (int z=0; z<11; z++) { + // TODO: XXX + // The following estimation currently fails on Intel GPUs + // that do not support double precision with OpenCL error code -5. + // Until we have a better solution, we just skip this test in this case. + int zloops = 11; + if (!gpu->double_precision()) zloops = 0; + + for (int z=0; z < zloops; z++) { gpu->sync(); gpu_barrier(); over_timer.start(); diff --git a/lib/gpu/lal_dpd.cu b/lib/gpu/lal_dpd.cu index e9d3279378..c6fd4f0e46 100644 --- a/lib/gpu/lal_dpd.cu +++ b/lib/gpu/lal_dpd.cu @@ -301,9 +301,10 @@ __kernel void k_dpd_fast(const __global numtyp4 *restrict x_, __local numtyp4 coeff[MAX_SHARED_TYPES*MAX_SHARED_TYPES]; __local numtyp sp_lj[4]; __local numtyp sp_sqrt[4]; - if (tid<4) + if (tid<4) { sp_lj[tid]=sp_lj_in[tid]; sp_sqrt[tid]=sp_sqrt_in[tid]; + } if (tid ### Cray @@ -107,249 +111,4 @@ For dev-build details, consult the kokkos-spack repository [README](https://gith # Kokkos Keyword Listing -## Device Backends -Device backends can be enabled by specifying `-DKokkos_ENABLE_X`. - -* Kokkos_ENABLE_CUDA - * Whether to build CUDA backend - * BOOL Default: OFF -* Kokkos_ENABLE_HPX - * Whether to build HPX backend (experimental) - * BOOL Default: OFF -* Kokkos_ENABLE_OPENMP - * Whether to build OpenMP backend - * BOOL Default: OFF -* Kokkos_ENABLE_THREADS - * Whether to build C++ thread backend - * BOOL Default: OFF -* Kokkos_ENABLE_SERIAL - * Whether to build serial backend - * BOOL Default: ON -* Kokkos_ENABLE_HIP (Experimental) - * Whether to build HIP backend - * BOOL Default: OFF -* Kokkos_ENABLE_OPENMPTARGET (Experimental) - * Whether to build the OpenMP target backend - * BOOL Default: OFF - -## Enable Options -Options can be enabled by specifying `-DKokkos_ENABLE_X`. - -* Kokkos_ENABLE_AGGRESSIVE_VECTORIZATION - * Whether to aggressively vectorize loops - * BOOL Default: OFF -* Kokkos_ENABLE_COMPILER_WARNINGS - * Whether to print all compiler warnings - * BOOL Default: OFF -* Kokkos_ENABLE_CUDA_CONSTEXPR - * Whether to activate experimental relaxed constexpr functions - * BOOL Default: OFF -* Kokkos_ENABLE_CUDA_LAMBDA - * Whether to activate experimental lambda features - * BOOL Default: OFF -* Kokkos_ENABLE_CUDA_LDG_INTRINSIC - * Whether to use CUDA LDG intrinsics - * BOOL Default: OFF -* Kokkos_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE - * Whether to enable relocatable device code (RDC) for CUDA - * BOOL Default: OFF -* Kokkos_ENABLE_CUDA_UVM - * Whether to use unified memory (UM) by default for CUDA - * BOOL Default: OFF -* Kokkos_ENABLE_DEBUG - * Whether to activate extra debug features - may increase compile times - * BOOL Default: OFF -* Kokkos_ENABLE_DEBUG_BOUNDS_CHECK - * Whether to use bounds checking - will increase runtime - * BOOL Default: OFF -* Kokkos_ENABLE_DEBUG_DUALVIEW_MODIFY_CHECK - * Debug check on dual views - * BOOL Default: OFF -* Kokkos_ENABLE_EXAMPLES - * Whether to enable building examples - * BOOL Default: OFF -* Kokkos_ENABLE_HPX_ASYNC_DISPATCH - * Whether HPX supports asynchronous dispatch - * BOOL Default: OFF -* Kokkos_ENABLE_IMPL_CUDA_MALLOC_ASYNC - * Whether to enable CudaMallocAsync (requires CUDA Toolkit 11.2). This is an experimental performance feature and currently has issue when using with UCX. See https://github.com/kokkos/kokkos/issues/4228 for more details. - * BOOL Default: OFF -* Kokkos_ENABLE_LARGE_MEM_TESTS - * Whether to perform extra large memory tests - * BOOL_Default: OFF -* Kokkos_ENABLE_PROFILING_LOAD_PRINT - * Whether to print information about which profiling tools gotloaded - * BOOL Default: OFF -* Kokkos_ENABLE_TESTS - * Whether to enable test suite - * BOOL Default: OFF - -## Other Options -* Kokkos_CXX_STANDARD - * The C++ standard for Kokkos to use: c++14, c++17, or c++20. This should be given in CMake style as 14, 17, or 20. - * STRING Default: 14 - -## Third-party Libraries (TPLs) -The following options control enabling TPLs: -* Kokkos_ENABLE_HPX - * Whether to enable the HPX library - * BOOL Default: OFF -* Kokkos_ENABLE_HWLOC - * Whether to enable the HWLOC library - * BOOL Default: Off -* Kokkos_ENABLE_LIBNUMA - * Whether to enable the LIBNUMA library - * BOOL Default: Off -* Kokkos_ENABLE_MEMKIND - * Whether to enable the MEMKIND library - * BOOL Default: Off -* Kokkos_ENABLE_LIBDL - * Whether to enable the LIBDL library - * BOOL Default: On -* Kokkos_ENABLE_LIBRT - * Whether to enable the LIBRT library - * BOOL Default: Off - -The following options control finding and configuring non-CMake TPLs: -* Kokkos_CUDA_DIR or CUDA_ROOT - * Location of CUDA install prefix for libraries - * PATH Default: -* Kokkos_HWLOC_DIR or HWLOC_ROOT - * Location of HWLOC install prefix - * PATH Default: -* Kokkos_LIBNUMA_DIR or LIBNUMA_ROOT - * Location of LIBNUMA install prefix - * PATH Default: -* Kokkos_MEMKIND_DIR or MEMKIND_ROOT - * Location of MEMKIND install prefix - * PATH Default: -* Kokkos_LIBDL_DIR or LIBDL_ROOT - * Location of LIBDL install prefix - * PATH Default: -* Kokkos_LIBRT_DIR or LIBRT_ROOT - * Location of LIBRT install prefix - * PATH Default: - -The following options control `find_package` paths for CMake-based TPLs: -* HPX_DIR or HPX_ROOT - * Location of HPX prefix (ROOT) or CMake config file (DIR) - * PATH Default: - -## Architecture Keywords -Architecture-specific optimizations can be enabled by specifying `-DKokkos_ARCH_X`. - -* Kokkos_ARCH_NATIVE - * Whether to optimize for the the local CPU architecture - * BOOL Default: OFF -* Kokkos_ARCH_AMDAVX - * Whether to optimize for the AMDAVX architecture - * BOOL Default: OFF -* Kokkos_ARCH_ARMV80 - * Whether to optimize for the ARMV80 architecture - * BOOL Default: OFF -* Kokkos_ARCH_ARMV81 - * Whether to optimize for the ARMV81 architecture - * BOOL Default: OFF -* Kokkos_ARCH_ARMV8_THUNDERX - * Whether to optimize for the ARMV8_THUNDERX architecture - * BOOL Default: OFF -* Kokkos_ARCH_ARMV8_TX2 - * Whether to optimize for the ARMV8_TX2 architecture - * BOOL Default: OFF -* Kokkos_ARCH_BDW - * Whether to optimize for the BDW architecture - * BOOL Default: OFF -* Kokkos_ARCH_BGQ - * Whether to optimize for the BGQ architecture - * BOOL Default: OFF -* Kokkos_ARCH_ZEN - * Whether to optimize for the Zen architecture - * BOOL Default: OFF -* Kokkos_ARCH_ZEN2 - * Whether to optimize for the Zen2 architecture - * BOOL Default: OFF -* Kokkos_ARCH_ZEN3 - * Whether to optimize for the Zen3 architecture - * BOOL Default: OFF -* Kokkos_ARCH_HSW - * Whether to optimize for the HSW architecture - * BOOL Default: OFF -* Kokkos_ARCH_KEPLER30 - * Whether to optimize for the KEPLER30 architecture - * BOOL Default: OFF -* Kokkos_ARCH_KEPLER32 - * Whether to optimize for the KEPLER32 architecture - * BOOL Default: OFF -* Kokkos_ARCH_KEPLER35 - * Whether to optimize for the KEPLER35 architecture - * BOOL Default: OFF -* Kokkos_ARCH_KEPLER37 - * Whether to optimize for the KEPLER37 architecture - * BOOL Default: OFF -* Kokkos_ARCH_KNC - * Whether to optimize for the KNC architecture - * BOOL Default: OFF -* Kokkos_ARCH_KNL - * Whether to optimize for the KNL architecture - * BOOL Default: OFF -* Kokkos_ARCH_MAXWELL50 - * Whether to optimize for the MAXWELL50 architecture - * BOOL Default: OFF -* Kokkos_ARCH_MAXWELL52 - * Whether to optimize for the MAXWELL52 architecture - * BOOL Default: OFF -* Kokkos_ARCH_MAXWELL53 - * Whether to optimize for the MAXWELL53 architecture - * BOOL Default: OFF -* Kokkos_ARCH_PASCAL60 - * Whether to optimize for the PASCAL60 architecture - * BOOL Default: OFF -* Kokkos_ARCH_PASCAL61 - * Whether to optimize for the PASCAL61 architecture - * BOOL Default: OFF -* Kokkos_ARCH_POWER7 - * Whether to optimize for the POWER7 architecture - * BOOL Default: OFF -* Kokkos_ARCH_POWER8 - * Whether to optimize for the POWER8 architecture - * BOOL Default: OFF -* Kokkos_ARCH_POWER9 - * Whether to optimize for the POWER9 architecture - * BOOL Default: OFF -* Kokkos_ARCH_ICL - * Whether to optimize for the ICL architecture - * BOOL Default: OFF -* Kokkos_ARCH_ICX - * Whether to optimize for the ICX architecture - * BOOL Default: OFF -* Kokkos_ARCH_SKL - * Whether to optimize for the SKL architecture - * BOOL Default: OFF -* Kokkos_ARCH_SKX - * Whether to optimize for the SKX architecture - * BOOL Default: OFF -* Kokkos_ARCH_SNB - * Whether to optimize for the SNB architecture - * BOOL Default: OFF -* Kokkos_ARCH_SPR - * Whether to optimize for the SPR architecture - * BOOL Default: OFF -* Kokkos_ARCH_TURING75 - * Whether to optimize for the TURING75 architecture - * BOOL Default: OFF -* Kokkos_ARCH_VOLTA70 - * Whether to optimize for the VOLTA70 architecture - * BOOL Default: OFF -* Kokkos_ARCH_VOLTA72 - * Whether to optimize for the VOLTA72 architecture - * BOOL Default: OFF -* Kokkos_ARCH_WSM - * Whether to optimize for the WSM architecture - * BOOL Default: OFF - -##### [LICENSE](https://github.com/kokkos/kokkos/blob/devel/LICENSE) - -[![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://opensource.org/licenses/BSD-3-Clause) - -Under the terms of Contract DE-NA0003525 with NTESS, -the U.S. Government retains certain rights in this software. +Please refer to our [wiki](https://kokkos.github.io/kokkos-core-wiki/keywords.html#cmake-keywords). diff --git a/lib/kokkos/CHANGELOG.md b/lib/kokkos/CHANGELOG.md index 34df76a0fd..4c145c44b3 100644 --- a/lib/kokkos/CHANGELOG.md +++ b/lib/kokkos/CHANGELOG.md @@ -1,5 +1,213 @@ # CHANGELOG +## [4.1.00](https://github.com/kokkos/kokkos/tree/4.0.01) (2023-06-16) +[Full Changelog](https://github.com/kokkos/kokkos/compare/4.0.01...4.1.00) + +### Features: +* Add `` header [\#4577](https://github.com/kokkos/kokkos/pull/4577) [\#5907](https://github.com/kokkos/kokkos/pull/5907) [\#5967](https://github.com/kokkos/kokkos/pull/5967) [\#6101](https://github.com/kokkos/kokkos/pull/6101) +* Add `UnorderedMapInsertOpTypes` [\#5877](https://github.com/kokkos/kokkos/pull/5877) and documentation [\#350](https://github.com/kokkos/kokkos-core-wiki/pull/350) +* Add multiple reducers support for team-level parallel reduce [\#5727](https://github.com/kokkos/kokkos/pull/5727) + +### Backend and Architecture Enhancements: + +#### CUDA: + +* Allow NVCC 12 to compile using C++20 flag [\#5977](https://github.com/kokkos/kokkos/pull/5977) +* Remove ability to disable CMake option `Kokkos_ENABLE_CUDA_LAMBDA` and unconditionally enable CUDA extended lambda support. [\#5964](https://github.com/kokkos/kokkos/pull/5964) +* Drop unnecessary fences around the memory allocation when using `CudaUVMSpace` in views [\#6008](https://github.com/kokkos/kokkos/pull/6008) + +#### HIP: +* Improve performance for `parallel_reduce`. Use different parameters for `LightWeight` kernels [\#6029](https://github.com/kokkos/kokkos/pull/6029) and [\#6160](https://github.com/kokkos/kokkos/pull/6160) + +#### SYCL: +* Only pass one wrapper object in SYCL reductions [\#6047](https://github.com/kokkos/kokkos/pull/6047) +* Improve and simplify parallel_scan implementation [\#6064](https://github.com/kokkos/kokkos/pull/6064) +* Remove workaround for submit_barrier not being enqueued properly [\#5504](https://github.com/kokkos/kokkos/pull/5504) +* Fix guards for using scratch space with SYCL [\#6003](https://github.com/kokkos/kokkos/pull/6003) +* Fix compiling SYCL with KOKKOS_IMPL_DO_NOT_USE_PRINTF_USAGE [\#6219](https://github.com/kokkos/kokkos/pull/6219) + +#### OpenMPTarget: +* Improve hierarchical parallelism for Intel architectures [\#6043](https://github.com/kokkos/kokkos/pull/6043) +* Enable Cray compiler for the OpenMPTarget backend. [\#5889](https://github.com/kokkos/kokkos/pull/5889) + +#### HPX: +* Update HPX backend to use HPX's sender/receiver functionality [\#5628](https://github.com/kokkos/kokkos/pull/5628) +* Increase minimum required HPX version to 1.8.0 [\#6132](https://github.com/kokkos/kokkos/pull/6132) +* Implement HPX::in_parallel [\#6143](https://github.com/kokkos/kokkos/pull/6143) + +### General Enhancements +* Export CMake `Kokkos_{CUDA,HIP}_ARCHITECTURES` variables [\#5919](https://github.com/kokkos/kokkos/pull/5919) [\#5925](https://github.com/kokkos/kokkos/pull/5925) +* Add `Kokkos::Profiling::ScopedRegion` [\#5959](https://github.com/kokkos/kokkos/pull/5959) [\#5972](https://github.com/kokkos/kokkos/pull/5972) +* Add support for `View::rank[_dynamic]()`[\#5870](https://github.com/kokkos/kokkos/pull/5870) +* Detect incompatible relocatable device code mode to prevent ODR violations [\#5991](https://github.com/kokkos/kokkos/pull/5991) +* Add (experimental) support for 32-bit Darwin and PPC [\#5916](https://github.com/kokkos/kokkos/pull/5916) +* Add missing half and bhalf specialization of the infinity numeric trait [\#6055](https://github.com/kokkos/kokkos/pull/6055) +* Add `is_dual_view` trait and align further with regular view [\#6120](https://github.com/kokkos/kokkos/pull/6120) +* Allow templated functors in parallel_for, parallel_reduce and parallel_scan [\#5976](https://github.com/kokkos/kokkos/pull/5976) +* Define KOKKOS_COMPILER_INTEL_LLVM and only define at most one KOKKOS_COMPILER* macro [\#5906](https://github.com/kokkos/kokkos/pull/5906) +* Allow linking against build tree [\#6078](https://github.com/kokkos/kokkos/pull/6078) +* Allow passing a temporary std::vector to partition_space [\#6167](https://github.com/kokkos/kokkos/pull/6167) +* `Kokkos` can be used as an external dependency in `Trilinos` [\#6142](https://github.com/kokkos/kokkos/pull/6142), [\#6157](https://github.com/kokkos/kokkos/pull/6157) [\#6163](https://github.com/kokkos/kokkos/pull/6163) +* Left align demangled stacktrace output [\#6191](https://github.com/kokkos/kokkos/pull/6191) +* Improve OpenMP affinity warning to include MPI concerns [\#6185](https://github.com/kokkos/kokkos/pull/6185) + +### Build System Changes +* Drop `Kokkos_ENABLE_LAUNCH_COMPILER` option which had no effect [\#6148](https://github.com/kokkos/kokkos/pull/6148) +* Export variables for relevant Kokkos options with cmake[\#6142](https://github.com/kokkos/kokkos/pull/6142) + +### Incompatibilities (i.e. breaking changes) +* Desul atomics always enabled [\#5801](https://github.com/kokkos/kokkos/pull/5801) +* Drop `KOKKOS_ENABLE_CUDA_ASM*` and `KOKKOS_ENABLE_*_ATOMICS` macros [\#5940](https://github.com/kokkos/kokkos/pull/5940) +* Drop `KOKKOS_ENABLE_RFO_PREFETCH` macro [\#5944](https://github.com/kokkos/kokkos/pull/5944) +* Deprecate `Kokkos_ENABLE_CUDA_LAMBDA` configuration option and force it to `ON` [\#5964](https://github.com/kokkos/kokkos/pull/5964) +* Remove TriBITS Kokkos subpackages [\#6104](https://github.com/kokkos/kokkos/pull/6104) +* Cuda: Remove unused attach_texture_object [\#6129](https://github.com/kokkos/kokkos/pull/6129) +* Drop Kokkos_ENABLE_PROFILING_LOAD_PRINT configuration option [\#6150](https://github.com/kokkos/kokkos/pull/6150) +* Drop pointless Kokkos{Algorithms,Containers}_config.h files [\#6108](https://github.com/kokkos/kokkos/pull/6108) + +### Deprecations +* Deprecate `BinSort`, `BinOp1D`, and `BinOp3D` default constructors [\#6131](https://github.com/kokkos/kokkos/pull/6131) + +### Bug Fixes +* Fix `SYCLTeamMember` to take arguments for scratch sizes as `std::size_t` [\#5981](https://github.com/kokkos/kokkos/pull/5981) +* Fix Kokkos_SIMD with AVX2 on 64-bit architectures [\#6075](https://github.com/kokkos/kokkos/pull/6075) +* Fix an incorrectly returning size for SIMD uint64_t in AVX2 [\#6004](https://github.com/kokkos/kokkos/pull/6004) +* Fix missing avx512 header file with gcc versions before 10 [\#6183](https://github.com/kokkos/kokkos/pull/6183) +* Fix incorrect results of `parallel_reduce` of types smaller than `int` on CUDA and HIP: [\#5745](https://github.com/kokkos/kokkos/pull/5745) +* CMake: update package compatibility mode when building within Trilinos [\#6012](https://github.com/kokkos/kokkos/pull/6012) +* Fix warnings generated from internal uses of `ALL_t` rather than `Kokkos::ALL_t` [\#6028](https://github.com/kokkos/kokkos/pull/6028) +* Fix bug in `hpcbind` script: check for correct Slurm variable [\#6116](https://github.com/kokkos/kokkos/pull/6116) +* KokkosTools: Don't call callbacks before backends are initialized [\#6114](https://github.com/kokkos/kokkos/pull/6114) +* Fix global fence in Kokkos::resize(DynRankView) [\#6184](https://github.com/kokkos/kokkos/pull/6184) +* Fix `BinSort` support for strided views [\#6081](https://github.com/kokkos/kokkos/pull/6184) +* Fix missing `is_*_view` traits in containers [\#6195](https://github.com/kokkos/kokkos/pull/6195) +* Fix broken OpenMP target on NVHPC [\#6171](https://github.com/kokkos/kokkos/pull/6171) +* Sorting an empty view should exit early and not fail [\#6130](https://github.com/kokkos/kokkos/pull/6130) + +## [4.0.01](https://github.com/kokkos/kokkos/tree/4.0.01) (2023-04-14) +[Full Changelog](https://github.com/kokkos/kokkos/compare/4.0.00...4.0.01) + +### Backend and Architecture Enhancements: + +#### CUDA: + +- Allow NVCC 12 to compile using C++20 flag [\#6020](https://github.com/kokkos/kokkos/pull/6020) +- Add CUDA Ada architecture support [\#6022](https://github.com/kokkos/kokkos/pull/6022) + +#### HIP: + +- Add support for AMDGPU target NAVI31 / RX 7900 XT(X): gfx1100 [\#6021](https://github.com/kokkos/kokkos/pull/6021) +- HIP: Fix warning from `std::memcpy` [\#6019](https://github.com/kokkos/kokkos/pull/6019) + +#### SYCL: +- Fix `SYCLTeamMember` to take arguments for scratch sizes as `std::size_t` [\#5986](https://github.com/kokkos/kokkos/pull/5986) + +### General Enhancements +- Fixup 4.0 change log [\#6023](https://github.com/kokkos/kokkos/pull/6023) + +### Build System Changes +- Cherry-pick TriBITS update from Trilinos [\#6037](https://github.com/kokkos/kokkos/pull/6037) +- CMake: update package compatibility mode when building within Trilinos [\#6013](https://github.com/kokkos/kokkos/pull/6013) + +### Bug Fixes +- Fix an incorrectly returning size for SIMD uint64_t in AVX2 [\#6011](https://github.com/kokkos/kokkos/pull/6011) +- Desul atomics: wrong value for `desul::Impl::numeric_limits_max` [\#6018](https://github.com/kokkos/kokkos/pull/6018) +- Fix warning in some user code when using std::memcpy [\#6000](https://github.com/kokkos/kokkos/pull/6000) +- Fix excessive build times using Makefile.kokkos [\#6068](https://github.com/kokkos/kokkos/pull/6068) + +## [4.0.0](https://github.com/kokkos/kokkos/tree/4.0.00) (2023-02-21) +[Full Changelog](https://github.com/kokkos/kokkos/compare/3.7.01...4.0.00) + +### Features: +- Allow value types without default constructor in `Kokkos::View` with `Kokkos::WithoutInitializing` [\#5307](https://github.com/kokkos/kokkos/pull/5307) +- `parallel_scan` with `View` as result type. [\#5146](https://github.com/kokkos/kokkos/pull/5146) +- Introduced `SharedSpace`, an alias for a `MemorySpace` that is accessible by every `ExecutionSpace`. The memory is moved and then accessed locally. [\#5289](https://github.com/kokkos/kokkos/pull/5289) +- Introduced `SharedHostPinnedSpace`, an alias for a `MemorySpace` that is accessible by every `ExecutionSpace`. The memory is pinned to the host and accessed via zero-copy access. [\#5405](https://github.com/kokkos/kokkos/pull/5405) +- Add team- and thread-level `sort`, `sort_by_key` algorithms. [\#5317](https://github.com/kokkos/kokkos/pull/5317) +- Groundwork for `MDSpan` integration. [\#4973](https://github.com/kokkos/kokkos/pull/4973) and [\#5304](https://github.com/kokkos/kokkos/pull/5304) +- Introduced MD version of hierarchical parallelism: `TeamThreadMDRange`, `ThreadVectorMDRange` and `TeamVectorMDRange`. [\#5238](https://github.com/kokkos/kokkos/pull/5238) + +### Backend and Architecture Enhancements: + +#### CUDA: +- Allow CUDA PTX forward compatibility [\#3612](https://github.com/kokkos/kokkos/pull/3612) [\#5536](https://github.com/kokkos/kokkos/pull/5536) [\#5527](https://github.com/kokkos/kokkos/pull/5527) +- Add support for NVIDIA Hopper GPU architecture [\#5538](https://github.com/kokkos/kokkos/pull/5538) +- Don't rely on synchronization behavior of default stream in CUDA and HIP [\#5391](https://github.com/kokkos/kokkos/pull/5391) +- Improve CUDA cache config settings [\#5706](https://github.com/kokkos/kokkos/pull/5706) + +#### HIP: + - Move `HIP`, `HIPSpace`, `HIPHostPinnedSpace`, and `HIPManagedSpace` out of the `Experimental` namespace [\#5383](https://github.com/kokkos/kokkos/pull/5383) + - Don't rely on synchronization behavior of default stream in CUDA and HIP [\#5391](https://github.com/kokkos/kokkos/pull/5391) + - Export AMD architecture flag when using Trilinos [\#5528](https://github.com/kokkos/kokkos/pull/5528) + - Fix linking error (see [OLCF issue](https://docs.olcf.ornl.gov/systems/crusher_quick_start_guide.html#olcfdev-1167-kokkos-build-failures-with-prgenv-amd)) when using `amdclang`: [\#5539](https://github.com/kokkos/kokkos/pull/5539) + - Remove support for MI25 and added support for Navi 1030 [\#5522](https://github.com/kokkos/kokkos/pull/5522) + - Fix race condition when using `HSA_XNACK=1` [\#5755](https://github.com/kokkos/kokkos/pull/5755) + - Add parameter to force using GlobalMemory launch mechanism. This can be used when encountering compiler bugs with ROCm 5.3 and 5.4 [\#5796](https://github.com/kokkos/kokkos/pull/5796) + +#### SYCL: +- Delegate choice of workgroup size for `parallel_reduce` with `RangePolicy` to the compiler. [\#5227](https://github.com/kokkos/kokkos/pull/5227) +- SYCL `RangePolicy`: manually specify workgroup size through chunk size [\#4875](https://github.com/kokkos/kokkos/pull/4875) + +#### OpenMPTarget: +- Select the right device [\#5492](https://github.com/kokkos/kokkos/pull/5492) + +#### OpenMP: + - Add `partition_space` [\#5105](https://github.com/kokkos/kokkos/pull/5105) + +### General Enhancements +- Implement `OffsetView` constructor taking `pair`s and `ViewCtorProp` [\#5303](https://github.com/kokkos/kokkos/pull/5303) +- Promote math constants to `Kokkos::numbers` namespace [\#5434](https://github.com/kokkos/kokkos/pull/5434) +- Add overloads of `hypot` math function that take 3 arguments [\#5341](https://github.com/kokkos/kokkos/pull/5341) +- Add `fma` fused multiply-add math function [\#5428](https://github.com/kokkos/kokkos/pull/5428) +- Views using `MemoryTraits::Atomic` don't need `volatile` overloads for the value type anymore. [\#5455](https://github.com/kokkos/kokkos/pull/5455) +- Added `is_team_handle` trait [\#5375](https://github.com/kokkos/kokkos/pull/5375) +- Refactor desul atomics to support compiling CUDA with NVC++ [\#5431](https://github.com/kokkos/kokkos/pull/5431) [\#5497](https://github.com/kokkos/kokkos/pull/5497) [\#5498](https://github.com/kokkos/kokkos/pull/5498) +- Support finding `libquadmath` with native compiler support [\#5286](https://github.com/kokkos/kokkos/pull/5286) +- Add architecture flags for MSVC [\#5673](https://github.com/kokkos/kokkos/pull/5673) +- SIMD backend for ARM NEON [\#5829](https://github.com/kokkos/kokkos/pull/5829) + +### Build System Changes +- Let CMake determine OpenMP flags. [\#4105](https://github.com/kokkos/kokkos/pull/4105) +- Update minimum compiler versions. [\#5323](https://github.com/kokkos/kokkos/pull/5323) +- Makefile and CMake support for C++23 [\#5283](https://github.com/kokkos/kokkos/pull/5283) +- Do not add `-cuda` to the link line with NVHPC compiler when the CUDA backend is not actually enabled [\#5485](https://github.com/kokkos/kokkos/pull/5485) +- Only add `-latomic` in generated GNU makefiles when OpenMPTarget backend is enabled [\#5501](https://github.com/kokkos/kokkos/pull/5501) [\#5537](https://github.com/kokkos/kokkos/pull/5537) (3.7 patch release candidate) +- `Kokkos_ENABLE_CUDA_LAMBDA` now `ON` by default with NVCC [\#5580](https://github.com/kokkos/kokkos/pull/5580) +- Fix enabling of relocatable device code when using CUDA as CMake language [\#5564](https://github.com/kokkos/kokkos/pull/5564) +- Fix cmake configuration with CUDA 12 [\#5691](https://github.com/kokkos/kokkos/pull/5691) + +### Incompatibilities (i.e. breaking changes) +- ***Require C++17*** [\#5277](https://github.com/kokkos/kokkos/pull/5277) +- Turn setting `Kokkos_CXX_STANDARD` into an error [\#5293](https://github.com/kokkos/kokkos/pull/5293) +- Remove all deprecations in Kokkos 3 [\#5297](https://github.com/kokkos/kokkos/pull/5297) +- Remove `KOKKOS_COMPILER_CUDA_VERSION` [\#5430](https://github.com/kokkos/kokkos/pull/5430) +- Drop `reciprocal_overflow_threshold` numeric trait [\#5326](https://github.com/kokkos/kokkos/pull/5326) +- Move `reduction_identity` out of `` into a new `` header [\#5450](https://github.com/kokkos/kokkos/pull/5450) +- Reduction and scan routines will report an error if the `join()` operator they would use takes `volatile`-qualified parameters [\#5409](https://github.com/kokkos/kokkos/pull/5409) +- `ENABLE_CUDA_UVM` is dropped in favor of using `SharedSpace` as `MemorySpace` explicitly [\#5608](https://github.com/kokkos/kokkos/pull/5608) +- Remove Kokkos_ENABLE_CUDA_LDG_INTRINSIC option [\#5623](https://github.com/kokkos/kokkos/pull/5623) +- Don't rely on synchronization behavior of default stream in CUDA and HIP - this potentially will break unintended implicit synchronization with other libraries such as MPI [\#5391](https://github.com/kokkos/kokkos/pull/5391) +- Make ExecutionSpace::concurrency() a non-static member function [\#5655](https://github.com/kokkos/kokkos/pull/5655) and related PRs +- Remove code guarded by `KOKKOS_ENABLE_DEPRECATED_CODE_3` + +### Deprecations +- Deprecate `CudaUVMSpace::available()` which always returned `true` [\#5614](https://github.com/kokkos/kokkos/pull/5614) +- Deprecate `volatile`-qualified members from `Kokkos::pair` and `Kokkos::complex` [\#5412](https://github.com/kokkos/kokkos/pull/5412) +- Deprecate `KOKKOS_ACTIVE_EXECUTION_MEMORY_SPACE_*` macros [\#5824](https://github.com/kokkos/kokkos/pull/5824) (oversight in 3.6) + +### Bug Fixes +- Avoid allocating memory for `UniqueToken` [\#5300](https://github.com/kokkos/kokkos/pull/5300) +- Fix `pragma ivdep` in `Kokkos_OpenMP_Parallel.hpp` [\#5356](https://github.com/kokkos/kokkos/pull/5356) +- Fix configuring with Threads support when rerunning CMake [\#5486](https://github.com/kokkos/kokkos/pull/5486) +- Fix View assignment between `LayoutLeft` and `LayoutRight` with static extents [\#5535](https://github.com/kokkos/kokkos/pull/5535) (3.7 patch release candidate) +- Add `fence()` calls to sorting routine overloads that don't take an execution space parameter [\#5389](https://github.com/kokkos/kokkos/pull/5389) +- `ClockTic` changed to 64 bit to fix overflow on Power [\#5577](https://github.com/kokkos/kokkos/pull/5577) (incl. in 3.7.01 patch release) +- Fix incorrect offset in CUDA and HIP `parallel_scan` for < 4 byte types [\#5555](https://github.com/kokkos/kokkos/pull/5555) (3.7 patch release candidate) +- Fix incorrect alignment behavior of scratch allocations in some corner cases (e.g. very small allocations) [\#5687](https://github.com/kokkos/kokkos/pull/5687) (3.7 patch release candidate) +- Add missing `ReductionIdentity` specialization [\#5798](https://github.com/kokkos/kokkos/pull/5798) +- Don't install standard algorithms headers multiple times [\#5670](https://github.com/kokkos/kokkos/pull/5670) +- Fix max scratch size calculation for level 0 scratch in CUDA and HIP [\#5718](https://github.com/kokkos/kokkos/pull/5718) + ## [3.7.02](https://github.com/kokkos/kokkos/tree/3.7.02) (2023-05-17) [Full Changelog](https://github.com/kokkos/kokkos/compare/3.7.01...3.7.02) diff --git a/lib/kokkos/CMakeLists.txt b/lib/kokkos/CMakeLists.txt index 404aad8065..895cee6a08 100644 --- a/lib/kokkos/CMakeLists.txt +++ b/lib/kokkos/CMakeLists.txt @@ -5,13 +5,16 @@ if( "${CMAKE_SOURCE_DIR}" STREQUAL "${CMAKE_BINARY_DIR}" ) message( FATAL_ERROR "FATAL: In-source builds are not allowed. You should create a separate directory for build files and delete CMakeCache.txt." ) endif() +if (COMMAND TRIBITS_PACKAGE) + TRIBITS_PACKAGE(Kokkos) +endif() + # We want to determine if options are given with the wrong case # In order to detect which arguments are given to compare against # the list of valid arguments, at the beginning here we need to # form a list of all the given variables. If it begins with any # case of KoKkOS, we add it to the list. - GET_CMAKE_PROPERTY(_variableNames VARIABLES) SET(KOKKOS_GIVEN_VARIABLES) FOREACH (var ${_variableNames}) @@ -34,6 +37,8 @@ IF(COMMAND TRIBITS_PACKAGE_DECL) SET(KOKKOS_HAS_TRILINOS ON) ELSE() SET(KOKKOS_HAS_TRILINOS OFF) + SET(PACKAGE_NAME Kokkos) + SET(PACKAGE_SOURCE_DIR "${CMAKE_CURRENT_SOURCE_DIR}") ENDIF() # Is this build a subdirectory of another project GET_DIRECTORY_PROPERTY(HAS_PARENT PARENT_DIRECTORY) @@ -87,6 +92,16 @@ IF(NOT KOKKOS_HAS_TRILINOS) SET(KOKKOS_COMPILE_LANGUAGE CUDA) ENDIF() + # use lower case here since we haven't parsed options yet + IF (Kokkos_ENABLE_COMPILE_AS_CMAKE_LANGUAGE AND Kokkos_ENABLE_HIP) + + # Without this as a language for the package we would get a C++ compiler enabled. + # but we still need a C++ compiler even if we build all our cpp files as HIP only + # because otherwise the C++ features don't work etc. + SET(KOKKOS_INTERNAL_EXTRA_COMPILE_LANGUAGE CXX) + + SET(KOKKOS_COMPILE_LANGUAGE HIP) + ENDIF() IF (Spack_WORKAROUND) IF (Kokkos_ENABLE_COMPILE_AS_CMAKE_LANGUAGE) @@ -113,6 +128,8 @@ IF(NOT KOKKOS_HAS_TRILINOS) FORCE) ENDIF() ENDIF() +ELSE() + SET(KOKKOS_COMPILE_LANGUAGE CXX) ENDIF() IF (NOT CMAKE_SIZEOF_VOID_P) @@ -123,15 +140,27 @@ IF (NOT CMAKE_SIZEOF_VOID_P) MESSAGE(FATAL_ERROR "Kokkos did not configure correctly and failed to validate compiler. The most likely cause is linkage errors during CMake compiler validation. Please consult the CMake error log shown below for the exact error during compiler validation") ENDIF() ELSEIF (NOT CMAKE_SIZEOF_VOID_P EQUAL 8) - MESSAGE(FATAL_ERROR "Kokkos assumes a 64-bit build; i.e., 8-byte pointers, but found ${CMAKE_SIZEOF_VOID_P}-byte pointers instead") + IF(CMAKE_SIZEOF_VOID_P EQUAL 4) + MESSAGE(WARNING "32-bit builds are experimental and not officially supported.") + SET(KOKKOS_IMPL_32BIT ON) + ELSE() + MESSAGE(FATAL_ERROR "Kokkos assumes a 64-bit build, i.e., 8-byte pointers, but found ${CMAKE_SIZEOF_VOID_P}-byte pointers instead;") + ENDIF() ENDIF() -set(Kokkos_VERSION_MAJOR 3) -set(Kokkos_VERSION_MINOR 7) -set(Kokkos_VERSION_PATCH 02) +set(Kokkos_VERSION_MAJOR 4) +set(Kokkos_VERSION_MINOR 1) +set(Kokkos_VERSION_PATCH 00) set(Kokkos_VERSION "${Kokkos_VERSION_MAJOR}.${Kokkos_VERSION_MINOR}.${Kokkos_VERSION_PATCH}") +message(STATUS "Kokkos version: ${Kokkos_VERSION}") math(EXPR KOKKOS_VERSION "${Kokkos_VERSION_MAJOR} * 10000 + ${Kokkos_VERSION_MINOR} * 100 + ${Kokkos_VERSION_PATCH}") +# mathematical expressions below are not stricly necessary but they eliminate +# the rather aggravating leading 0 in the releases patch version number, and, +# in some way, are a sanity check for our arithmetic +math(EXPR KOKKOS_VERSION_MAJOR "${KOKKOS_VERSION} / 10000") +math(EXPR KOKKOS_VERSION_MINOR "${KOKKOS_VERSION} / 100 % 100") +math(EXPR KOKKOS_VERSION_PATCH "${KOKKOS_VERSION} % 100") # Load either the real TriBITS or a TriBITS wrapper # for certain utility functions that are universal (like GLOBAL_SET) @@ -167,7 +196,7 @@ IF(NOT MSVC) ENDIF() IF(Kokkos_ENABLE_TESTS AND NOT KOKKOS_HAS_TRILINOS) - find_package(GTest) + find_package(GTest QUIET) ENDIF() # Include a set of Kokkos-specific wrapper functions that @@ -180,6 +209,14 @@ INCLUDE(${KOKKOS_SRC_PATH}/cmake/kokkos_tribits.cmake) # to allow platform-specific checks INCLUDE(${KOKKOS_SRC_PATH}/cmake/kokkos_check_env.cmake) +IF(NOT KOKKOS_HAS_TRILINOS) + # This does not work in Trilinos and we simply don't care + # to fix it for Trilinos + # Gather information about the runtime environment + INCLUDE(${KOKKOS_SRC_PATH}/cmake/build_env_info.cmake) + check_git_setup() +ENDIF() + # The build environment setup goes in the following steps # 1) Check all the enable options. This includes checking Kokkos_DEVICES # 2) Check the compiler ID (type and version) @@ -194,14 +231,8 @@ KOKKOS_SETUP_BUILD_ENVIRONMENT() OPTION(BUILD_SHARED_LIBS "Build shared libraries" OFF) -SET(KOKKOS_EXT_LIBRARIES Kokkos::kokkos Kokkos::kokkoscore Kokkos::kokkoscontainers Kokkos::kokkosalgorithms) -SET(KOKKOS_SUB_LIBRARIES kokkoscore kokkoscontainers kokkosalgorithms) -IF (KOKKOS_CXX_STANDARD GREATER_EQUAL 17) - LIST(APPEND KOKKOS_EXT_LIBRARIES Kokkos::kokkossimd) - LIST(APPEND KOKKOS_SUB_LIBRARIES kokkossimd) -ENDIF() -SET(KOKKOS_INT_LIBRARIES kokkos ${KOKKOS_SUB_LIBRARIES}) -SET_PROPERTY(GLOBAL PROPERTY KOKKOS_INT_LIBRARIES ${KOKKOS_INT_LIBRARIES}) +SET(KOKKOS_COMPONENT_LIBRARIES kokkoscore kokkoscontainers kokkosalgorithms kokkossimd) +SET_PROPERTY(GLOBAL PROPERTY KOKKOS_INT_LIBRARIES kokkos ${KOKKOS_COMPONENT_LIBRARIES}) IF (KOKKOS_HAS_TRILINOS) SET(TRILINOS_INCDIR ${${PROJECT_NAME}_INSTALL_INCLUDE_DIR}) @@ -270,8 +301,6 @@ IF (KOKKOS_HAS_TRILINOS) $<$:${KOKKOS_ALL_COMPILE_OPTIONS}>) ENDIF() -KOKKOS_PACKAGE_DECL() - #------------------------------------------------------------------------------ # @@ -285,7 +314,6 @@ KOKKOS_PROCESS_SUBPACKAGES() # E) If Kokkos itself is enabled, process the Kokkos package # -KOKKOS_PACKAGE_DEF() KOKKOS_EXCLUDE_AUTOTOOLS_FILES() KOKKOS_PACKAGE_POSTPROCESS() KOKKOS_CONFIGURE_CORE() @@ -295,7 +323,9 @@ IF (NOT KOKKOS_HAS_TRILINOS AND NOT Kokkos_INSTALL_TESTING) #Make sure in-tree projects can reference this as Kokkos:: #to match the installed target names ADD_LIBRARY(Kokkos::kokkos ALIAS kokkos) - TARGET_LINK_LIBRARIES(kokkos INTERFACE ${KOKKOS_SUB_LIBRARIES}) + # all_libs target is required for TriBITS-compliance + ADD_LIBRARY(Kokkos::all_libs ALIAS kokkos) + TARGET_LINK_LIBRARIES(kokkos INTERFACE ${KOKKOS_COMPONENT_LIBRARIES}) KOKKOS_INTERNAL_ADD_LIBRARY_INSTALL(kokkos) ENDIF() INCLUDE(${KOKKOS_SRC_PATH}/cmake/kokkos_install.cmake) diff --git a/lib/kokkos/LICENSE b/lib/kokkos/LICENSE index c6f17087d5..6572cc2db0 100644 --- a/lib/kokkos/LICENSE +++ b/lib/kokkos/LICENSE @@ -1,43 +1,238 @@ -//@HEADER -// ************************************************************************ -// -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering -// Solutions of Sandia, LLC (NTESS). -// -// Under the terms of Contract DE-NA0003525 with NTESS, -// the U.S. Government retains certain rights in this software. -// -// Kokkos is licensed under 3-clause BSD terms of use: -// -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: -// -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ -//@HEADER + ************************************************************************ + + Kokkos v. 4.0 + Copyright (2022) National Technology & Engineering + Solutions of Sandia, LLC (NTESS). + + Under the terms of Contract DE-NA0003525 with NTESS, + the U.S. Government retains certain rights in this software. + + + ============================================================================== + Kokkos is under the Apache License v2.0 with LLVM Exceptions: + ============================================================================== + + Apache License + Version 2.0, January 2004 + http://www.apache.org/licenses/ + + TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION + + 1. 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Unless required by applicable law or + agreed to in writing, Licensor provides the Work (and each + Contributor provides its Contributions) on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or + implied, including, without limitation, any warranties or conditions + of TITLE, NON-INFRINGEMENT, MERCHANTABILITY, or FITNESS FOR A + PARTICULAR PURPOSE. You are solely responsible for determining the + appropriateness of using or redistributing the Work and assume any + risks associated with Your exercise of permissions under this License. + + 8. Limitation of Liability. In no event and under no legal theory, + whether in tort (including negligence), contract, or otherwise, + unless required by applicable law (such as deliberate and grossly + negligent acts) or agreed to in writing, shall any Contributor be + liable to You for damages, including any direct, indirect, special, + incidental, or consequential damages of any character arising as a + result of this License or out of the use or inability to use the + Work (including but not limited to damages for loss of goodwill, + work stoppage, computer failure or malfunction, or any and all + other commercial damages or losses), even if such Contributor + has been advised of the possibility of such damages. + + 9. Accepting Warranty or Additional Liability. While redistributing + the Work or Derivative Works thereof, You may choose to offer, + and charge a fee for, acceptance of support, warranty, indemnity, + or other liability obligations and/or rights consistent with this + License. However, in accepting such obligations, You may act only + on Your own behalf and on Your sole responsibility, not on behalf + of any other Contributor, and only if You agree to indemnify, + defend, and hold each Contributor harmless for any liability + incurred by, or claims asserted against, such Contributor by reason + of your accepting any such warranty or additional liability. + + END OF TERMS AND CONDITIONS Apache 2.0 + + ---- LLVM Exceptions to the Apache 2.0 License ---- + + As an exception, if, as a result of your compiling your source code, portions + of this Software are embedded into an Object form of such source code, you + may redistribute such embedded portions in such Object form without complying + with the conditions of Sections 4(a), 4(b) and 4(d) of the License. + + In addition, if you combine or link compiled forms of this Software with + software that is licensed under the GPLv2 ("Combined Software") and if a + court of competent jurisdiction determines that the patent provision (Section + 3), the indemnity provision (Section 9) or other Section of the License + conflicts with the conditions of the GPLv2, you may retroactively and + prospectively choose to deem waived or otherwise exclude such Section(s) of + the License, but only in their entirety and only with respect to the Combined + Software. + + ============================================================================== + Software from third parties included in Kokkos: + ============================================================================== + + Kokkos contains third party software which is under different license + terms. All such code will be identified clearly using at least one of two + mechanisms: + 1) It will be in a separate directory tree with its own `LICENSE.txt` or + `LICENSE` file at the top containing the specific license and restrictions + which apply to that software, or + 2) It will contain specific license and restriction terms at the top of every + file. + + + THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY + EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE + IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR + PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE + CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, + EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, + PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR + PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF + LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING + NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS + SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + + Questions? Contact: + Christian R. Trott (crtrott@sandia.gov) and + Damien T. Lebrun-Grandie (lebrungrandt@ornl.gov) + + ************************************************************************ diff --git a/lib/kokkos/LICENSE_FILE_HEADER b/lib/kokkos/LICENSE_FILE_HEADER new file mode 100644 index 0000000000..03eb04f8bd --- /dev/null +++ b/lib/kokkos/LICENSE_FILE_HEADER @@ -0,0 +1,15 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER diff --git a/lib/kokkos/Makefile.kokkos b/lib/kokkos/Makefile.kokkos index adcee303ba..46998091fe 100644 --- a/lib/kokkos/Makefile.kokkos +++ b/lib/kokkos/Makefile.kokkos @@ -10,9 +10,9 @@ ifeq ($(mode),shared) CXXFLAGS += $(SHFLAGS) endif -KOKKOS_VERSION_MAJOR = 3 -KOKKOS_VERSION_MINOR = 7 -KOKKOS_VERSION_PATCH = 02 +KOKKOS_VERSION_MAJOR = 4 +KOKKOS_VERSION_MINOR = 1 +KOKKOS_VERSION_PATCH = 00 KOKKOS_VERSION = $(shell echo $(KOKKOS_VERSION_MAJOR)*10000+$(KOKKOS_VERSION_MINOR)*100+$(KOKKOS_VERSION_PATCH) | bc) # Options: Cuda,HIP,SYCL,OpenMPTarget,OpenMP,Threads,Serial @@ -23,7 +23,7 @@ KOKKOS_DEVICES ?= "OpenMP" # NVIDIA: Kepler,Kepler30,Kepler32,Kepler35,Kepler37,Maxwell,Maxwell50,Maxwell52,Maxwell53,Pascal60,Pascal61,Volta70,Volta72,Turing75,Ampere80,Ampere86,Ada89,Hopper90 # ARM: ARMv80,ARMv81,ARMv8-ThunderX,ARMv8-TX2,A64FX # IBM: BGQ,Power7,Power8,Power9 -# AMD-GPUS: Vega900,Vega906,Vega908,Vega90A +# AMD-GPUS: Vega906,Vega908,Vega90A,Navi1030 # AMD-CPUS: AMDAVX,Zen,Zen2,Zen3 # Intel-GPUs: Gen9,Gen11,Gen12LP,DG1,XeHP,PVC KOKKOS_ARCH ?= "" @@ -31,9 +31,9 @@ KOKKOS_ARCH ?= "" KOKKOS_DEBUG ?= "no" # Options: hwloc,librt,experimental_memkind KOKKOS_USE_TPLS ?= "" -# Options: c++14,c++1y,c++17,c++1z,c++2a -KOKKOS_CXX_STANDARD ?= "c++14" -# Options: aggressive_vectorization,disable_profiling,enable_large_mem_tests,disable_complex_align,disable_deprecated_code,enable_deprecation_warnings,disable_desul_atomics +# Options: c++17,c++1z,c++20,c++2a,c++23,c++2b +KOKKOS_CXX_STANDARD ?= "c++17" +# Options: aggressive_vectorization,disable_profiling,enable_large_mem_tests,disable_complex_align,disable_deprecated_code,enable_deprecation_warnings KOKKOS_OPTIONS ?= "" KOKKOS_CMAKE ?= "no" KOKKOS_TRIBITS ?= "no" @@ -67,12 +67,12 @@ kokkos_path_exists=$(if $(wildcard $1),1,0) # Check for general settings KOKKOS_INTERNAL_ENABLE_DEBUG := $(call kokkos_has_string,$(KOKKOS_DEBUG),yes) -KOKKOS_INTERNAL_ENABLE_CXX14 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++14) -KOKKOS_INTERNAL_ENABLE_CXX1Y := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++1y) KOKKOS_INTERNAL_ENABLE_CXX17 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++17) KOKKOS_INTERNAL_ENABLE_CXX1Z := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++1z) -KOKKOS_INTERNAL_ENABLE_CXX2A := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++2a) KOKKOS_INTERNAL_ENABLE_CXX20 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++20) +KOKKOS_INTERNAL_ENABLE_CXX2A := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++2a) +KOKKOS_INTERNAL_ENABLE_CXX23 := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++23) +KOKKOS_INTERNAL_ENABLE_CXX2B := $(call kokkos_has_string,$(KOKKOS_CXX_STANDARD),c++2b) # Check for external libraries. KOKKOS_INTERNAL_USE_HWLOC := $(call kokkos_has_string,$(KOKKOS_USE_TPLS),hwloc) @@ -85,8 +85,8 @@ KOKKOS_INTERNAL_AGGRESSIVE_VECTORIZATION := $(call kokkos_has_string,$(KOKKOS_OP KOKKOS_INTERNAL_ENABLE_TUNING := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_tuning) KOKKOS_INTERNAL_DISABLE_COMPLEX_ALIGN := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_complex_align) KOKKOS_INTERNAL_DISABLE_DUALVIEW_MODIFY_CHECK := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_dualview_modify_check) -KOKKOS_INTERNAL_ENABLE_PROFILING_LOAD_PRINT := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_profile_load_print) KOKKOS_INTERNAL_ENABLE_LARGE_MEM_TESTS := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_large_mem_tests) +# deprecated KOKKOS_INTERNAL_CUDA_USE_LDG := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),use_ldg) KOKKOS_INTERNAL_CUDA_USE_UVM := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),force_uvm) KOKKOS_INTERNAL_CUDA_USE_RELOC := $(call kokkos_has_string,$(KOKKOS_CUDA_OPTIONS),rdc) @@ -95,7 +95,9 @@ KOKKOS_INTERNAL_CUDA_USE_CONSTEXPR := $(call kokkos_has_string,$(KOKKOS_CUDA_OPT KOKKOS_INTERNAL_HPX_ENABLE_ASYNC_DISPATCH := $(call kokkos_has_string,$(KOKKOS_HPX_OPTIONS),enable_async_dispatch) # deprecated KOKKOS_INTERNAL_ENABLE_DESUL_ATOMICS := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_desul_atomics) +# deprecated KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_desul_atomics) +KOKKOS_INTERNAL_DISABLE_BUNDLED_MDSPAN := $(call kokkos_has_string,$(KOKKOS_OPTIONS),impl_disable_bundled_mdspan) KOKKOS_INTERNAL_DISABLE_DEPRECATED_CODE := $(call kokkos_has_string,$(KOKKOS_OPTIONS),disable_deprecated_code) KOKKOS_INTERNAL_ENABLE_DEPRECATION_WARNINGS := $(call kokkos_has_string,$(KOKKOS_OPTIONS),enable_deprecation_warnings) @@ -104,14 +106,8 @@ KOKKOS_INTERNAL_HIP_USE_RELOC := $(call kokkos_has_string,$(KOKKOS_HIP_OPTIONS), # Check for Kokkos Host Execution Spaces one of which must be on. KOKKOS_INTERNAL_USE_OPENMP := $(call kokkos_has_string,$(subst OpenMPTarget,,$(KOKKOS_DEVICES)),OpenMP) KOKKOS_INTERNAL_USE_THREADS := $(call kokkos_has_string,$(KOKKOS_DEVICES),Threads) -# deprecated -KOKKOS_INTERNAL_USE_PTHREAD := $(call kokkos_has_string,$(KOKKOS_DEVICES),Pthread) KOKKOS_INTERNAL_USE_HPX := $(call kokkos_has_string,$(KOKKOS_DEVICES),HPX) KOKKOS_INTERNAL_USE_SERIAL := $(call kokkos_has_string,$(KOKKOS_DEVICES),Serial) -ifeq ($(KOKKOS_INTERNAL_USE_PTHREAD), 1) - KOKKOS_INTERNAL_USE_THREADS := 1 - $(warning Warning: Pthread is deprecated. Use Threads instead! KOKKOS_DEVICES=$(KOKKOS_DEVICES)) -endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 0) ifeq ($(KOKKOS_INTERNAL_USE_THREADS), 0) @@ -126,6 +122,7 @@ KOKKOS_INTERNAL_USE_CUDA := $(call kokkos_has_string,$(KOKKOS_DEVICES),Cuda) KOKKOS_INTERNAL_USE_HIP := $(call kokkos_has_string,$(KOKKOS_DEVICES),HIP) KOKKOS_INTERNAL_USE_SYCL := $(call kokkos_has_string,$(KOKKOS_DEVICES),SYCL) KOKKOS_INTERNAL_USE_OPENMPTARGET := $(call kokkos_has_string,$(KOKKOS_DEVICES),OpenMPTarget) +KOKKOS_INTERNAL_USE_OPENACC := $(call kokkos_has_string,$(KOKKOS_DEVICES),OpenACC) KOKKOS_DEVICELIST = ifeq ($(KOKKOS_INTERNAL_USE_SERIAL), 1) @@ -146,21 +143,14 @@ endif ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) KOKKOS_DEVICELIST += HIP endif -KOKKOS_INTERNAL_HAVE_CXX17_OR_NEWER := $(shell expr $(KOKKOS_INTERNAL_ENABLE_CXX17) \ - + $(KOKKOS_INTERNAL_ENABLE_CXX20) \ - + $(KOKKOS_INTERNAL_ENABLE_CXX2A)) ifeq ($(KOKKOS_INTERNAL_USE_SYCL), 1) KOKKOS_DEVICELIST += SYCL - ifneq ($(KOKKOS_INTERNAL_HAVE_CXX17_OR_NEWER), 1) - $(error SYCL backend requires C++17 or newer) - endif - endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) KOKKOS_DEVICELIST += OPENMPTARGET - ifneq ($(KOKKOS_INTERNAL_HAVE_CXX17_OR_NEWER), 1) - $(error OpenMPTarget backend requires C++17 or newer) - endif +endif +ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) + KOKKOS_DEVICELIST += OpenACC endif ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) @@ -183,10 +173,9 @@ KOKKOS_INTERNAL_OS_DARWIN := $(call kokkos_has_string,$(KOKKOS_OS),Darwin) # Check compiler. KOKKOS_CXX_VERSION := $(strip $(shell $(CXX) --version 2>&1)) KOKKOS_INTERNAL_COMPILER_INTEL := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),Intel Corporation) -KOKKOS_INTERNAL_COMPILER_PGI := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),PGI) -KOKKOS_INTERNAL_COMPILER_XL := $(strip $(shell $(CXX) -qversion 2>&1 | grep -c XL)) KOKKOS_INTERNAL_COMPILER_CRAY := $(strip $(shell $(CXX) -craype-verbose 2>&1 | grep -c "CC-")) KOKKOS_INTERNAL_COMPILER_NVCC := $(strip $(shell echo "$(shell export OMPI_CXX=$(OMPI_CXX); export MPICH_CXX=$(MPICH_CXX); $(CXX) --version 2>&1 | grep -c nvcc)>0" | bc)) +KOKKOS_INTERNAL_COMPILER_NVHPC := $(strip $(shell $(CXX) --version 2>&1 | grep -c "nvc++")) KOKKOS_INTERNAL_COMPILER_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),clang) KOKKOS_INTERNAL_COMPILER_CRAY_CLANG := $(strip $(shell $(CXX) -craype-verbose 2>&1 | grep -c "clang++")) KOKKOS_INTERNAL_COMPILER_INTEL_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_VERSION),oneAPI) @@ -202,7 +191,6 @@ ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC_WRAPPER), 1) KOKKOS_CXX_HOST_VERSION := $(strip $(shell $(CXX) $(CXXFLAGS) --host-version 2>&1)) - KOKKOS_INTERNAL_COMPILER_PGI := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),PGI) KOKKOS_INTERNAL_COMPILER_INTEL := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),Intel Corporation) KOKKOS_INTERNAL_COMPILER_CLANG := $(call kokkos_has_string,$(KOKKOS_CXX_HOST_VERSION),clang) endif @@ -211,9 +199,6 @@ endif ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 2) KOKKOS_INTERNAL_COMPILER_CLANG = 1 endif -ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 2) - KOKKOS_INTERNAL_COMPILER_XL = 1 -endif # Apple Clang passes both clang and apple clang tests, so turn off clang. ifeq ($(KOKKOS_INTERNAL_COMPILER_APPLE_CLANG), 1) @@ -253,113 +238,79 @@ endif # Set compiler warnings flags. ifeq ($(KOKKOS_INTERNAL_ENABLE_COMPILER_WARNINGS), 1) - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - # TODO check if PGI accepts GNU style warnings + ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wuninitialized + else ifeq ($(KOKKOS_INTERNAL_COMPILER_APPLE_CLANG), 1) + KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wuninitialized + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) + # TODO check if cray accepts GNU style warnings KOKKOS_INTERNAL_COMPILER_WARNINGS = else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wuninitialized - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_APPLE_CLANG), 1) - KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wuninitialized - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 1) - KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wuninitialized - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - # TODO check if cray accepts GNU style warnings - KOKKOS_INTERNAL_COMPILER_WARNINGS = - else - #gcc - KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wignored-qualifiers -Wempty-body -Wclobbered -Wuninitialized - endif - endif - endif - endif + #gcc + KOKKOS_INTERNAL_COMPILER_WARNINGS = -Wall -Wunused-parameter -Wshadow -pedantic -Wsign-compare -Wtype-limits -Wignored-qualifiers -Wempty-body -Wclobbered -Wuninitialized endif else KOKKOS_INTERNAL_COMPILER_WARNINGS = endif # Set OpenMP flags. -ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_INTERNAL_OPENMP_FLAG := -mp -else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY_CLANG), 1) +ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY_CLANG), 1) + KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp + else ifeq ($(KOKKOS_INTERNAL_COMPILER_FUJITSU), 1) + # fujitsu (clang mode) fails with `=libomp` KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_FUJITSU), 1) - # fujitsu (clang mode) fails with `=libomp` - KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp - else - KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp=libomp - endif - endif else - ifeq ($(KOKKOS_INTERNAL_COMPILER_APPLE_CLANG), 1) - KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp=libomp - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 1) - KOKKOS_INTERNAL_OPENMP_FLAG := -qsmp=omp - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - # OpenMP is turned on by default in Cray compiler environment. - KOKKOS_INTERNAL_OPENMP_FLAG := - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL_CLANG), 1) - KOKKOS_INTERNAL_OPENMP_FLAG := -fiopenmp - else - KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp - endif - endif - endif - endif + KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp=libomp + endif +else + ifeq ($(KOKKOS_INTERNAL_COMPILER_APPLE_CLANG), 1) + KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp=libomp + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) + # OpenMP is turned on by default in Cray compiler environment. + KOKKOS_INTERNAL_OPENMP_FLAG := + else ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL_CLANG), 1) + KOKKOS_INTERNAL_OPENMP_FLAG := -fiopenmp + else + KOKKOS_INTERNAL_OPENMP_FLAG := -fopenmp endif endif -ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 1) - KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -DKOKKOS_IBM_XL_OMP45_WORKAROUND -qsmp=omp -qoffload -qnoeh -else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - #KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -DKOKKOS_BUG_WORKAROUND_IBM_CLANG_OMP45_VIEW_INIT -fopenmp-implicit-declare-target -fopenmp-targets=nvptx64-nvidia-cuda -fopenmp -fopenmp=libomp - KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -DKOKKOS_WORKAROUND_OPENMPTARGET_CLANG -fopenmp -fopenmp=libomp -Wno-openmp-mapping - KOKKOS_INTERNAL_OPENMPTARGET_LIB := -lomptarget + +ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) + ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL_CLANG), 1) + KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -fiopenmp -Wno-openmp-mapping + else ifeq ($(KOKKOS_INTERNAL_COMPILER_NVHPC), 1) + KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -mp=gpu + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 0) + #Assume GCC + KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -fopenmp -foffload=nvptx-none + endif +endif + +ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) + # Set OpenACC flags. + ifeq ($(KOKKOS_INTERNAL_COMPILER_NVHPC), 1) + KOKKOS_INTERNAL_OPENACC_FLAG := -acc else - ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL_CLANG), 1) - KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -fiopenmp -Wno-openmp-mapping - else - #Assume GCC - KOKKOS_INTERNAL_OPENMPTARGET_FLAG := -fopenmp -foffload=nvptx-none - endif + $(error Makefile.kokkos: OpenACC is enabled but the compiler must be NVHPC (got version string $(KOKKOS_CXX_VERSION))) endif endif # Set C++ version flags. -ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_INTERNAL_CXX14_FLAG := --c++14 - KOKKOS_INTERNAL_CXX17_FLAG := --c++17 +ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) + KOKKOS_INTERNAL_CXX17_FLAG := -hstd=c++17 + KOKKOS_INTERNAL_CXX1Z_FLAG := -hstd=c++1z + KOKKOS_INTERNAL_CXX20_FLAG := -hstd=c++20 + KOKKOS_INTERNAL_CXX2A_FLAG := -hstd=c++2a + KOKKOS_INTERNAL_CXX23_FLAG := -hstd=c++23 + KOKKOS_INTERNAL_CXX2A_FLAG := -hstd=c++2b else - ifeq ($(KOKKOS_INTERNAL_COMPILER_XL), 1) - KOKKOS_INTERNAL_CXX14_FLAG := -std=c++14 - KOKKOS_INTERNAL_CXX1Y_FLAG := -std=c++1y - #KOKKOS_INTERNAL_CXX17_FLAG := -std=c++17 - #KOKKOS_INTERNAL_CXX1Z_FLAG := -std=c++1Z - #KOKKOS_INTERNAL_CXX2A_FLAG := -std=c++2a - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - KOKKOS_INTERNAL_CXX14_FLAG := -hstd=c++14 - #KOKKOS_INTERNAL_CXX1Y_FLAG := -hstd=c++1y - #KOKKOS_INTERNAL_CXX17_FLAG := -hstd=c++17 - #KOKKOS_INTERNAL_CXX1Z_FLAG := -hstd=c++1z - #KOKKOS_INTERNAL_CXX2A_FLAG := -hstd=c++2a - else - KOKKOS_INTERNAL_CXX14_FLAG := -std=c++14 - KOKKOS_INTERNAL_CXX1Y_FLAG := -std=c++1y - KOKKOS_INTERNAL_CXX17_FLAG := -std=c++17 - KOKKOS_INTERNAL_CXX1Z_FLAG := -std=c++1z - KOKKOS_INTERNAL_CXX2A_FLAG := -std=c++2a - endif - endif + KOKKOS_INTERNAL_CXX17_FLAG := -std=c++17 + KOKKOS_INTERNAL_CXX1Z_FLAG := -std=c++1z + KOKKOS_INTERNAL_CXX20_FLAG := -std=c++20 + KOKKOS_INTERNAL_CXX2A_FLAG := -std=c++2a + KOKKOS_INTERNAL_CXX23_FLAG := -std=c++23 + KOKKOS_INTERNAL_CXX2B_FLAG := -std=c++2b endif # Check for Kokkos Architecture settings. @@ -461,10 +412,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ZEN3), 0) KOKKOS_INTERNAL_USE_ARCH_ZEN := $(call kokkos_has_string,$(KOKKOS_ARCH),Zen) endif endif -KOKKOS_INTERNAL_USE_ARCH_VEGA900 := $(call kokkos_has_string,$(KOKKOS_ARCH),Vega900) KOKKOS_INTERNAL_USE_ARCH_VEGA906 := $(call kokkos_has_string,$(KOKKOS_ARCH),Vega906) KOKKOS_INTERNAL_USE_ARCH_VEGA908 := $(call kokkos_has_string,$(KOKKOS_ARCH),Vega908) KOKKOS_INTERNAL_USE_ARCH_VEGA90A := $(call kokkos_has_string,$(KOKKOS_ARCH),Vega90A) +KOKKOS_INTERNAL_USE_ARCH_NAVI1030 := $(call kokkos_has_string,$(KOKKOS_ARCH),Navi1030) # Any AVX? KOKKOS_INTERNAL_USE_ARCH_SSE42 := $(shell expr $(KOKKOS_INTERNAL_USE_ARCH_WSM)) @@ -532,13 +483,15 @@ tmp := $(call kokkos_append_header,'$H''endif') tmp := $(call kokkos_append_header,"") tmp := $(call kokkos_append_header,"$H""define KOKKOS_VERSION $(KOKKOS_VERSION)") +tmp := $(call kokkos_append_header,"$H""define KOKKOS_VERSION_MAJOR $(KOKKOS_VERSION_MAJOR)") +tmp := $(call kokkos_append_header,"$H""define KOKKOS_VERSION_MINOR $(KOKKOS_VERSION_MINOR)") +tmp := $(call kokkos_append_header,"$H""define KOKKOS_VERSION_PATCH $(KOKKOS_VERSION_PATCH)") tmp := $(call kokkos_append_header,"") tmp := $(call kokkos_append_header,"/* Execution Spaces */") ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_COMPILER_CUDA_VERSION $(KOKKOS_INTERNAL_COMPILER_NVCC_VERSION)") endif ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) @@ -557,6 +510,10 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) endif endif +ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_OPENACC") +endif + ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1) tmp := $(call kokkos_append_header,'$H''define KOKKOS_ENABLE_OPENMP') endif @@ -576,22 +533,11 @@ endif #only add the c++ standard flags if this is not CMake tmp := $(call kokkos_append_header,"/* General Settings */") ifneq ($(KOKKOS_INTERNAL_DISABLE_DEPRECATED_CODE), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_DEPRECATED_CODE_3") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_DEPRECATED_CODE_4") endif ifeq ($(KOKKOS_INTERNAL_ENABLE_DEPRECATION_WARNINGS), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_DEPRECATION_WARNINGS") endif -ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX14), 1) -ifneq ($(KOKKOS_STANDALONE_CMAKE), yes) - KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX14_FLAG) -endif - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX14") -endif -ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX1Y), 1) - #I cannot make CMake add this in a good way - so add it here - KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX1Y_FLAG) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX14") -endif ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX17), 1) ifneq ($(KOKKOS_STANDALONE_CMAKE), yes) KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX17_FLAG) @@ -603,15 +549,25 @@ ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX1Z), 1) KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX1Z_FLAG) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX17") endif +ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX20), 1) + #I cannot make CMake add this in a good way - so add it here + KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX20_FLAG) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX20") +endif ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX2A), 1) #I cannot make CMake add this in a good way - so add it here KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX2A_FLAG) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX20") endif -ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX20), 1) +ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX23), 1) #I cannot make CMake add this in a good way - so add it here - KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX20_FLAG) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX20") + KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX23_FLAG) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX23") +endif +ifeq ($(KOKKOS_INTERNAL_ENABLE_CXX2B), 1) + #I cannot make CMake add this in a good way - so add it here + KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CXX2B_FLAG) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CXX23") endif ifeq ($(KOKKOS_INTERNAL_ENABLE_DEBUG), 1) @@ -631,10 +587,6 @@ ifeq ($(KOKKOS_INTERNAL_DISABLE_COMPLEX_ALIGN), 0) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_COMPLEX_ALIGN") endif -ifeq ($(KOKKOS_INTERNAL_ENABLE_PROFILING_LOAD_PRINT), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_PROFILING_LOAD_PRINT") -endif - ifeq ($(KOKKOS_INTERNAL_ENABLE_TUNING), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_TUNING") endif @@ -692,15 +644,15 @@ endif tmp := $(call kokkos_append_header,"/* Cuda Settings */") ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) + #deprecated ifeq ($(KOKKOS_INTERNAL_CUDA_USE_LDG), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LDG_INTRINSIC") - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LDG_INTRINSIC") - endif + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LDG_INTRINSIC") endif ifeq ($(KOKKOS_INTERNAL_CUDA_USE_UVM), 1) + # deprecated tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_UVM") endif @@ -723,29 +675,19 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) endif endif - ifeq ($(KOKKOS_INTERNAL_CUDA_USE_LAMBDA), 1) - ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) - ifeq ($(shell test $(KOKKOS_INTERNAL_COMPILER_NVCC_VERSION) -gt 70; echo $$?),0) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LAMBDA") - KOKKOS_CXXFLAGS += -expt-extended-lambda - else - $(warning Warning: Cuda Lambda support was requested but NVCC version is too low. This requires NVCC for Cuda version 7.5 or higher. Disabling Lambda support now.) - endif - endif + ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LAMBDA") + KOKKOS_CXXFLAGS += -extended-lambda + endif - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LAMBDA") - endif + ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_LAMBDA") endif ifeq ($(KOKKOS_INTERNAL_CUDA_USE_CONSTEXPR), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) - ifeq ($(shell test $(KOKKOS_INTERNAL_COMPILER_NVCC_VERSION) -ge 80; echo $$?),0) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_CONSTEXPR") - KOKKOS_CXXFLAGS += -expt-relaxed-constexpr - else - $(warning Warning: Cuda relaxed constexpr support was requested but NVCC version is too low. This requires NVCC for Cuda version 8.0 or higher. Disabling relaxed constexpr support now.) - endif + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_CUDA_CONSTEXPR") + KOKKOS_CXXFLAGS += -expt-relaxed-constexpr endif ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) @@ -760,7 +702,7 @@ endif ifeq ($(KOKKOS_INTERNAL_USE_HPX), 1) ifeq ($(KOKKOS_INTERNAL_HPX_ENABLE_ASYNC_DISPATCH), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_HPX_ASYNC_DISPATCH") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_IMPL_HPX_ASYNC_DISPATCH") endif endif @@ -773,13 +715,8 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ARMV80), 1) KOKKOS_CXXFLAGS += KOKKOS_LDFLAGS += else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += - KOKKOS_LDFLAGS += - else - KOKKOS_CXXFLAGS += -march=armv8-a - KOKKOS_LDFLAGS += -march=armv8-a - endif + KOKKOS_CXXFLAGS += -march=armv8-a + KOKKOS_LDFLAGS += -march=armv8-a endif endif @@ -790,13 +727,8 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ARMV81), 1) KOKKOS_CXXFLAGS += KOKKOS_LDFLAGS += else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += - KOKKOS_LDFLAGS += - else - KOKKOS_CXXFLAGS += -march=armv8.1-a - KOKKOS_LDFLAGS += -march=armv8.1-a - endif + KOKKOS_CXXFLAGS += -march=armv8.1-a + KOKKOS_LDFLAGS += -march=armv8.1-a endif endif @@ -862,13 +794,8 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ARMV8_THUNDERX), 1) KOKKOS_CXXFLAGS += KOKKOS_LDFLAGS += else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += - KOKKOS_LDFLAGS += - else - KOKKOS_CXXFLAGS += -march=armv8-a -mtune=thunderx - KOKKOS_LDFLAGS += -march=armv8-a -mtune=thunderx - endif + KOKKOS_CXXFLAGS += -march=armv8-a -mtune=thunderx + KOKKOS_LDFLAGS += -march=armv8-a -mtune=thunderx endif endif @@ -880,13 +807,8 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ARMV8_THUNDERX2), 1) KOKKOS_CXXFLAGS += KOKKOS_LDFLAGS += else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += - KOKKOS_LDFLAGS += - else - KOKKOS_CXXFLAGS += -mtune=thunderx2t99 -mcpu=thunderx2t99 - KOKKOS_LDFLAGS += -mtune=thunderx2t99 -mcpu=thunderx2t99 - endif + KOKKOS_CXXFLAGS += -mtune=thunderx2t99 -mcpu=thunderx2t99 + KOKKOS_LDFLAGS += -mtune=thunderx2t99 -mcpu=thunderx2t99 endif endif @@ -896,19 +818,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_SSE42), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xSSE4.2 KOKKOS_LDFLAGS += -xSSE4.2 + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += -tp=nehalem - KOKKOS_LDFLAGS += -tp=nehalem - else - # Assume that this is a really a GNU compiler. - KOKKOS_CXXFLAGS += -msse4.2 - KOKKOS_LDFLAGS += -msse4.2 - endif - endif + # Assume that this is a really a GNU compiler. + KOKKOS_CXXFLAGS += -msse4.2 + KOKKOS_LDFLAGS += -msse4.2 endif endif @@ -918,54 +832,34 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AVX), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -mavx KOKKOS_LDFLAGS += -mavx + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += -tp=sandybridge - KOKKOS_LDFLAGS += -tp=sandybridge - else - # Assume that this is a really a GNU compiler. - KOKKOS_CXXFLAGS += -mavx - KOKKOS_LDFLAGS += -mavx - endif - endif + # Assume that this is a really a GNU compiler. + KOKKOS_CXXFLAGS += -mavx + KOKKOS_LDFLAGS += -mavx endif endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_POWER7), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_POWER7") - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - # Assume that this is a really a GNU compiler or it could be XL on P8. - KOKKOS_CXXFLAGS += -mcpu=power7 -mtune=power7 - KOKKOS_LDFLAGS += -mcpu=power7 -mtune=power7 - endif + # Assume that this is a really a GNU compiler. + KOKKOS_CXXFLAGS += -mcpu=power7 -mtune=power7 + KOKKOS_LDFLAGS += -mcpu=power7 -mtune=power7 endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_POWER8), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_POWER8") - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - KOKKOS_CXXFLAGS += -mcpu=power8 -mtune=power8 - KOKKOS_LDFLAGS += -mcpu=power8 -mtune=power8 - endif + KOKKOS_CXXFLAGS += -mcpu=power8 -mtune=power8 + KOKKOS_LDFLAGS += -mcpu=power8 -mtune=power8 endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_POWER9), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_POWER9") - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - KOKKOS_CXXFLAGS += -mcpu=power9 -mtune=power9 - KOKKOS_LDFLAGS += -mcpu=power9 -mtune=power9 - endif + KOKKOS_CXXFLAGS += -mcpu=power9 -mtune=power9 + KOKKOS_LDFLAGS += -mcpu=power9 -mtune=power9 endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_HSW), 1) @@ -974,19 +868,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_HSW), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xCORE-AVX2 KOKKOS_LDFLAGS += -xCORE-AVX2 + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += -tp=haswell - KOKKOS_LDFLAGS += -tp=haswell - else - # Assume that this is a really a GNU compiler. - KOKKOS_CXXFLAGS += -march=core-avx2 -mtune=core-avx2 - KOKKOS_LDFLAGS += -march=core-avx2 -mtune=core-avx2 - endif - endif + # Assume that this is a really a GNU compiler. + KOKKOS_CXXFLAGS += -march=core-avx2 -mtune=core-avx2 + KOKKOS_LDFLAGS += -march=core-avx2 -mtune=core-avx2 endif endif @@ -996,19 +882,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_BDW), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xCORE-AVX2 KOKKOS_LDFLAGS += -xCORE-AVX2 + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - KOKKOS_CXXFLAGS += -tp=haswell - KOKKOS_LDFLAGS += -tp=haswell - else - # Assume that this is a really a GNU compiler. - KOKKOS_CXXFLAGS += -march=core-avx2 -mtune=core-avx2 -mrtm - KOKKOS_LDFLAGS += -march=core-avx2 -mtune=core-avx2 -mrtm - endif - endif + # Assume that this is a really a GNU compiler. + KOKKOS_CXXFLAGS += -march=core-avx2 -mtune=core-avx2 -mrtm + KOKKOS_LDFLAGS += -march=core-avx2 -mtune=core-avx2 -mrtm endif endif @@ -1018,18 +896,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AVX512MIC), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xMIC-AVX512 KOKKOS_LDFLAGS += -xMIC-AVX512 + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - # Asssume that this is really a GNU compiler. - KOKKOS_CXXFLAGS += -march=knl -mtune=knl - KOKKOS_LDFLAGS += -march=knl -mtune=knl - endif - endif + # Asssume that this is really a GNU compiler. + KOKKOS_CXXFLAGS += -march=knl -mtune=knl + KOKKOS_LDFLAGS += -march=knl -mtune=knl endif endif @@ -1039,18 +910,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_SKL), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xSKYLAKE KOKKOS_LDFLAGS += -xSKYLAKE + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - # Nothing here yet. - KOKKOS_CXXFLAGS += -march=skylake - KOKKOS_LDFLAGS += -march=skylake - endif - endif + # Nothing here yet. + KOKKOS_CXXFLAGS += -march=skylake + KOKKOS_LDFLAGS += -march=skylake endif endif @@ -1060,18 +924,11 @@ ifeq ($(KOKKOS_INTERNAL_USE_ARCH_SKX), 1) ifeq ($(KOKKOS_INTERNAL_COMPILER_INTEL), 1) KOKKOS_CXXFLAGS += -xCORE-AVX512 KOKKOS_LDFLAGS += -xCORE-AVX512 + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) else - ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY), 1) - - else - ifeq ($(KOKKOS_INTERNAL_COMPILER_PGI), 1) - - else - # Nothing here yet. - KOKKOS_CXXFLAGS += -march=skylake-avx512 -mtune=skylake-avx512 - KOKKOS_LDFLAGS += -march=skylake-avx512 -mtune=skylake-avx512 - endif - endif + # Nothing here yet. + KOKKOS_CXXFLAGS += -march=skylake-avx512 -mtune=skylake-avx512 + KOKKOS_LDFLAGS += -march=skylake-avx512 -mtune=skylake-avx512 endif endif @@ -1121,142 +978,144 @@ ifeq ($(KOKKOS_INTERNAL_USE_CUDA_ARCH), 1) endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - KOKKOS_INTERNAL_CUDA_ARCH_FLAG=-fopenmp-targets=nvptx64 -Xopenmp-target -march + ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY_CLANG), 1) + KOKKOS_INTERNAL_CUDA_ARCH_FLAG=-fopenmp + else ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + KOKKOS_INTERNAL_CUDA_ARCH_FLAG=-fopenmp --offload-arch endif - KOKKOS_INTERNAL_USE_CUDA_ARCH = 1 endif -ifeq ($(KOKKOS_INTERNAL_USE_CUDA_ARCH), 1) - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER30), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER30") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_30 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER32), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER32") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_32 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER35), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER35") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_35 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER37), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER37") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_37 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL50), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL50") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_50 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL52), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL52") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_52 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL53), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL53") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_53 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_PASCAL60), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL60") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_60 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_PASCAL61), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL61") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_61 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VOLTA70), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA70") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_70 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VOLTA72), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA72") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_72 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_TURING75), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_TURING") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_TURING75") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_75 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AMPERE80), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE80") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_80 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AMPERE86), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE86") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_86 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ADA89), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_ADA89") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_89 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_HOPPER90), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_HOPPER") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_HOPPER90") - KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_90 +# Do not add this flag if its the cray compiler or the nvhpc compiler. +ifeq ($(KOKKOS_INTERNAL_COMPILER_CRAY_CLANG), 0) + ifeq ($(KOKKOS_INTERNAL_COMPILER_NVHPC), 0) + # Lets start with adding architecture defines + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER30), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER30") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_30 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER32), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER32") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_32 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER35), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER35") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_35 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_KEPLER37), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_KEPLER37") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_37 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL50), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL50") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_50 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL52), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL52") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_52 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_MAXWELL53), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_MAXWELL53") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_53 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_PASCAL60), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL60") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_60 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_PASCAL61), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_PASCAL61") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_61 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VOLTA70), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA70") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_70 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VOLTA72), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VOLTA72") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_72 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_TURING75), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_TURING75") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_75 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AMPERE80), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE80") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_80 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_AMPERE86), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_AMPERE86") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_86 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_ADA89), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_ADA89") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_89 + endif + ifeq ($(KOKKOS_INTERNAL_USE_ARCH_HOPPER90), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_HOPPER") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_HOPPER90") + KOKKOS_INTERNAL_CUDA_ARCH_FLAG := $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG)=sm_90 + endif endif +endif - ifneq ($(KOKKOS_INTERNAL_USE_ARCH_NVIDIA), 0) - KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG) +ifneq ($(KOKKOS_INTERNAL_USE_ARCH_NVIDIA), 0) + KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG) - ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) + ifeq ($(KOKKOS_INTERNAL_COMPILER_NVCC), 1) + KOKKOS_LDFLAGS += $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG) + endif + ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) + ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) KOKKOS_LDFLAGS += $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG) endif - ifeq ($(KOKKOS_INTERNAL_COMPILER_CLANG), 1) - ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) - KOKKOS_LDFLAGS += $(KOKKOS_INTERNAL_CUDA_ARCH_FLAG) - endif - endif - endif - ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) - KOKKOS_CXXFLAGS += --expt-extended-lambda endif endif # Figure out the architecture flag for ROCm. +ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA906), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA906") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") + KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx906 +endif +ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA908), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA908") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") + KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx908 +endif +ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA90A), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA90A") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") + KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx90a +endif +ifeq ($(KOKKOS_INTERNAL_USE_ARCH_NAVI1030), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_NAVI1030") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_NAVI") + KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx1030 +endif +ifeq ($(KOKKOS_INTERNAL_USE_ARCH_NAVI1100), 1) + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_NAVI1100") + tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_NAVI") + KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx1100 +endif + + ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) - # Lets start with adding architecture defines - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA900), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA900") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") - KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx900 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA906), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA906") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") - KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx906 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA908), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA908") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") - KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx908 - endif - ifeq ($(KOKKOS_INTERNAL_USE_ARCH_VEGA90A), 1) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA90A") - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_VEGA") - KOKKOS_INTERNAL_HIP_ARCH_FLAG := --offload-arch=gfx90a - endif - - KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/HIP/*.cpp) + KOKKOS_SRC += $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_HIP.cpp KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/HIP/*.hpp) - ifeq ($(KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS), 0) - KOKKOS_SRC += $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_HIP.cpp - endif KOKKOS_CXXFLAGS+=$(KOKKOS_INTERNAL_HIP_ARCH_FLAG) KOKKOS_LDFLAGS+=$(KOKKOS_INTERNAL_HIP_ARCH_FLAG) @@ -1306,12 +1165,12 @@ endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_INTEL_XEHP), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_INTEL_GPU") tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_INTEL_XEHP") - KOKKOS_INTERNAL_INTEL_ARCH_FLAG := -f${KOKKOS_INTERNAL_LC_BACKEND}-targets=spir64_gen -X${KOKKOS_INTERNAL_LC_BACKEND}-target-backend "-device xehp" + KOKKOS_INTERNAL_INTEL_ARCH_FLAG := -f${KOKKOS_INTERNAL_LC_BACKEND}-targets=spir64_gen -X${KOKKOS_INTERNAL_LC_BACKEND}-target-backend "-device 12.50.4" endif ifeq ($(KOKKOS_INTERNAL_USE_ARCH_INTEL_PVC), 1) tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_INTEL_GPU") tmp := $(call kokkos_append_header,"$H""define KOKKOS_ARCH_INTEL_PVC") - KOKKOS_INTERNAL_INTEL_ARCH_FLAG := -f${KOKKOS_INTERNAL_LC_BACKEND}-targets=spir64_gen -X${KOKKOS_INTERNAL_LC_BACKEND}-target-backend "-device 12.4.0" + KOKKOS_INTERNAL_INTEL_ARCH_FLAG := -f${KOKKOS_INTERNAL_LC_BACKEND}-targets=spir64_gen -X${KOKKOS_INTERNAL_LC_BACKEND}-target-backend "-device 12.60.7" endif ifeq ($(KOKKOS_INTERNAL_USE_SYCL), 1) @@ -1329,14 +1188,19 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) KOKKOS_LDFLAGS+=$(KOKKOS_INTERNAL_INTEL_ARCH_FLAG) endif -ifeq ($(KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS), 0) - tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_IMPL_DESUL_ATOMICS") - KOKKOS_CPPFLAGS+=-I$(KOKKOS_PATH)/tpls/desul/include -else - ifeq ($(KOKKOS_INTERNAL_ENABLE_DESUL_ATOMICS), 1) - $(error Contradictory Desul atomics options: KOKKOS_OPTIONS=$(KOKKOS_OPTIONS) ) - endif +ifeq ($(KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS), 1) + $(warning disable_desul_atomics option has been removed. Desul atomics cannot be disabled.) + KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS := 0 endif +ifeq ($(KOKKOS_INTERNAL_ENABLE_DESUL_ATOMICS), 1) + $(warning enable_desul_atomics option has been removed. Desul atomics are always enabled.) +endif +KOKKOS_CPPFLAGS+=-I$(KOKKOS_PATH)/tpls/desul/include + +ifeq ($(KOKKOS_INTERNAL_DISABLE_BUNDLED_MDSPAN), 0) + KOKKOS_CPPFLAGS+=-I$(KOKKOS_PATH)/tpls/mdspan/include +endif +tmp := $(call kokkos_append_header,"$H""define KOKKOS_ENABLE_IMPL_MDSPAN") KOKKOS_INTERNAL_LS_CONFIG := $(shell ls KokkosCore_config.h 2>&1) @@ -1365,9 +1229,6 @@ ifneq ($(KOKKOS_INTERNAL_NEW_CONFIG), 0) tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_FwdBackend.hpp") tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_DeclareBackend.hpp") tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_SetupBackend.hpp") - ifeq ($(KOKKOS_INTERNAL_CUDA_USE_UVM), 1) - else - endif endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_FwdBackend.hpp") @@ -1387,6 +1248,10 @@ ifneq ($(KOKKOS_INTERNAL_NEW_CONFIG), 0) tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_FwdBackend.hpp") tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_DeclareBackend.hpp") endif + ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) + tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_FwdBackend.hpp") + tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_DeclareBackend.hpp") + endif ifeq ($(KOKKOS_INTERNAL_USE_THREADS), 1) tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_FwdBackend.hpp") tmp := $(call kokkos_append_config_header,"$H""include ","KokkosCore_Config_DeclareBackend.hpp") @@ -1416,9 +1281,7 @@ KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/containers/src/impl/*.cpp) ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/Cuda/*.cpp) - ifeq ($(KOKKOS_INTERNAL_DISABLE_DESUL_ATOMICS), 0) - KOKKOS_SRC += $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_CUDA.cpp - endif + KOKKOS_SRC += $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_CUDA.cpp KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/Cuda/*.hpp) ifneq ($(CUDA_PATH),) KOKKOS_CPPLAGS += -I$(CUDA_PATH)/include @@ -1454,6 +1317,14 @@ ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) KOKKOS_LIBS += $(KOKKOS_INTERNAL_OPENMPTARGET_LIB) endif +ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) + KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/OpenACC/*.cpp) + KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/OpenACC/*.hpp) + KOKKOS_CXXFLAGS += $(KOKKOS_INTERNAL_OPENACC_FLAG) + KOKKOS_LDFLAGS += $(KOKKOS_INTERNAL_OPENACC_FLAG) + KOKKOS_LIBS += $(KOKKOS_INTERNAL_OPENACC_LIB) +endif + ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1) KOKKOS_SRC += $(wildcard $(KOKKOS_PATH)/core/src/OpenMP/*.cpp) KOKKOS_HEADERS += $(wildcard $(KOKKOS_PATH)/core/src/OpenMP/*.hpp) @@ -1524,11 +1395,70 @@ endif KOKKOS_EXTRA_LIBS := ${KOKKOS_LIBS} KOKKOS_LIBS := -lkokkos ${KOKKOS_LIBS} +# Generating the header +DESUL_INTERNAL_CONFIG_TMP=Desul_Config.tmp +DESUL_CONFIG_HEADER=desul/atomics/Config.hpp +desul_append_header = $(shell echo $1 >> $(DESUL_INTERNAL_CONFIG_TMP)) +tmp := $(call desul_append_header, "// generated by on-demand build system by crtrott" > $(DESUL_INTERNAL_CONFIG_TMP)) +tmp := $(call desul_append_header, "$H""ifndef DESUL_ATOMICS_CONFIG_HPP_") +tmp := $(call desul_append_header, "$H""define DESUL_ATOMICS_CONFIG_HPP_") +tmp := $(call desul_append_header, "") +ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_CUDA") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_CUDA */") +endif +ifeq ($(KOKKOS_INTERNAL_CUDA_USE_RELOC), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_CUDA_SEPARABLE_COMPILATION") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_CUDA_SEPARABLE_COMPILATION */") +endif + +ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_HIP") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_HIP */") +endif +ifeq ($(KOKKOS_INTERNAL_HIP_USE_RELOC), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_HIP_SEPARABLE_COMPILATION") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_HIP_SEPARABLE_COMPILATION */") +endif + +ifeq ($(KOKKOS_INTERNAL_USE_SYCL), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_SYCL") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_SYCL */") +endif + +ifeq ($(KOKKOS_INTERNAL_USE_OPENMPTARGET), 1) + tmp := $(call desul_append_header,"$H""define DESUL_ATOMICS_ENABLE_OPENMP") +else + tmp := $(call desul_append_header,"/* $H""undef DESUL_ATOMICS_ENABLE_OPENMP */") +endif +tmp := $(call desul_append_header, "") +tmp := $(call desul_append_header, "$H""endif") + +DESUL_INTERNAL_LS_CONFIG := $(shell ls $(DESUL_CONFIG_HEADER) 2>&1) + +ifeq ($(DESUL_INTERNAL_LS_CONFIG), $(DESUL_CONFIG_HEADER)) + DESUL_INTERNAL_NEW_CONFIG := $(strip $(shell diff $(DESUL_CONFIG_HEADER) $(DESUL_INTERNAL_CONFIG_TMP) | grep -c define)) +else + DESUL_INTERNAL_NEW_CONFIG := 1 +endif + +ifneq ($(DESUL_INTERNAL_NEW_CONFIG), 0) + tmp := $(shell mkdir -p desul/atomics) + tmp := $(shell cp $(DESUL_INTERNAL_CONFIG_TMP) $(DESUL_CONFIG_HEADER)) +endif + # Setting up dependencies. KokkosCore_config.h: -KOKKOS_CPP_DEPENDS := KokkosCore_config.h $(KOKKOS_HEADERS) +$(DESUL_CONFIG_HEADER): + +KOKKOS_CPP_DEPENDS := $(DESUL_CONFIG_HEADER) KokkosCore_config.h $(KOKKOS_HEADERS) KOKKOS_OBJ = $(KOKKOS_SRC:.cpp=.o) KOKKOS_OBJ_LINK = $(notdir $(KOKKOS_OBJ)) @@ -1536,7 +1466,7 @@ KOKKOS_OBJ_LINK = $(notdir $(KOKKOS_OBJ)) include $(KOKKOS_PATH)/Makefile.targets kokkos-clean: - rm -f $(KOKKOS_OBJ_LINK) KokkosCore_config.h KokkosCore_config.tmp libkokkos.a KokkosCore_Config_SetupBackend.hpp \ + rm -f $(KOKKOS_OBJ_LINK) $(DESUL_CONFIG_HEADER) $(DESUL_INTERNAL_CONFIG_TMP) KokkosCore_config.h KokkosCore_config.tmp libkokkos.a KokkosCore_Config_SetupBackend.hpp \ KokkosCore_Config_FwdBackend.hpp KokkosCore_Config_DeclareBackend.hpp KokkosCore_Config_DeclareBackend.tmp \ KokkosCore_Config_FwdBackend.tmp KokkosCore_Config_PostInclude.hpp KokkosCore_Config_PostInclude.tmp KokkosCore_Config_SetupBackend.tmp diff --git a/lib/kokkos/Makefile.targets b/lib/kokkos/Makefile.targets index 876726e947..4e08a46c69 100644 --- a/lib/kokkos/Makefile.targets +++ b/lib/kokkos/Makefile.targets @@ -51,8 +51,6 @@ Kokkos_CudaSpace.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cu $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_CudaSpace.cpp Kokkos_Cuda_Task.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Task.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Task.cpp -Kokkos_Cuda_Locks.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Locks.cpp - $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/Cuda/Kokkos_Cuda_Locks.cpp Lock_Array_CUDA.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_CUDA.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_CUDA.cpp endif @@ -67,12 +65,16 @@ Kokkos_SYCL_Instance.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/SYCL/Kokko endif ifeq ($(KOKKOS_INTERNAL_USE_HIP), 1) +Kokkos_HIP.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP.cpp +Kokkos_HIP_SharedAllocationRecord.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_SharedAllocationRecord.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_SharedAllocationRecord.cpp +Kokkos_HIP_DeepCopy.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_DeepCopy.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_DeepCopy.cpp Kokkos_HIP_Space.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Space.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Space.cpp Kokkos_HIP_Instance.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Instance.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Instance.cpp -Kokkos_HIP_Locks.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Locks.cpp - $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/HIP/Kokkos_HIP_Locks.cpp Lock_Array_HIP.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_HIP.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/tpls/desul/src/Lock_Array_HIP.cpp endif @@ -83,6 +85,8 @@ Kokkos_ThreadsExec.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/Threads/Kokk endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1) +Kokkos_OpenMP.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenMP/Kokkos_OpenMP.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenMP/Kokkos_OpenMP.cpp Kokkos_OpenMP_Instance.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenMP/Kokkos_OpenMP_Instance.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenMP/Kokkos_OpenMP_Instance.cpp Kokkos_OpenMP_Task.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenMP/Kokkos_OpenMP_Task.cpp @@ -107,5 +111,16 @@ Kokkos_OpenMPTarget_Task.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenMP $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenMPTarget/Kokkos_OpenMPTarget_Task.cpp endif +ifeq ($(KOKKOS_INTERNAL_USE_OPENACC), 1) +Kokkos_OpenACC.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC.cpp +Kokkos_OpenACCSpace.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACCSpace.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACCSpace.cpp +Kokkos_OpenACC_Instance.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC_Instance.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC_Instance.cpp +Kokkos_OpenACC_SharedAllocationRecord.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC_SharedAllocationRecord.cpp + $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/OpenACC/Kokkos_OpenACC_SharedAllocationRecord.cpp +endif + Kokkos_HBWSpace.o: $(KOKKOS_CPP_DEPENDS) $(KOKKOS_PATH)/core/src/impl/Kokkos_HBWSpace.cpp $(CXX) $(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) $(CXXFLAGS) -c $(KOKKOS_PATH)/core/src/impl/Kokkos_HBWSpace.cpp diff --git a/lib/kokkos/algorithms/CMakeLists.txt b/lib/kokkos/algorithms/CMakeLists.txt index eb54db8a55..ab557ab66a 100644 --- a/lib/kokkos/algorithms/CMakeLists.txt +++ b/lib/kokkos/algorithms/CMakeLists.txt @@ -1,14 +1,7 @@ - - -KOKKOS_SUBPACKAGE(Algorithms) - IF (NOT Kokkos_INSTALL_TESTING) ADD_SUBDIRECTORY(src) ENDIF() -IF(NOT (KOKKOS_ENABLE_OPENMPTARGET AND KOKKOS_CXX_COMPILER_ID STREQUAL NVHPC)) +# FIXME_OPENACC: temporarily disabled due to unimplemented features +IF(NOT ((KOKKOS_ENABLE_OPENMPTARGET OR KOKKOS_ENABLE_OPENACC) AND KOKKOS_CXX_COMPILER_ID STREQUAL NVHPC)) KOKKOS_ADD_TEST_DIRECTORIES(unit_tests) ENDIF() - -KOKKOS_SUBPACKAGE_POSTPROCESS() - - diff --git a/lib/kokkos/algorithms/cmake/Dependencies.cmake b/lib/kokkos/algorithms/cmake/Dependencies.cmake deleted file mode 100644 index c36b62523f..0000000000 --- a/lib/kokkos/algorithms/cmake/Dependencies.cmake +++ /dev/null @@ -1,5 +0,0 @@ -TRIBITS_PACKAGE_DEFINE_DEPENDENCIES( - LIB_REQUIRED_PACKAGES KokkosCore KokkosContainers - LIB_OPTIONAL_TPLS Pthread CUDA HWLOC - TEST_OPTIONAL_TPLS CUSPARSE - ) diff --git a/lib/kokkos/algorithms/cmake/KokkosAlgorithms_config.h.in b/lib/kokkos/algorithms/cmake/KokkosAlgorithms_config.h.in deleted file mode 100644 index 67334b70f3..0000000000 --- a/lib/kokkos/algorithms/cmake/KokkosAlgorithms_config.h.in +++ /dev/null @@ -1,4 +0,0 @@ -#ifndef KOKKOS_ALGORITHMS_CONFIG_H -#define KOKKOS_ALGORITHMS_CONFIG_H - -#endif diff --git a/lib/kokkos/algorithms/src/CMakeLists.txt b/lib/kokkos/algorithms/src/CMakeLists.txt index 606d83d18b..1695778947 100644 --- a/lib/kokkos/algorithms/src/CMakeLists.txt +++ b/lib/kokkos/algorithms/src/CMakeLists.txt @@ -1,6 +1,3 @@ - -KOKKOS_CONFIGURE_FILE(${PACKAGE_NAME}_config.h) - #I have to leave these here for tribits KOKKOS_INCLUDE_DIRECTORIES(${CMAKE_CURRENT_BINARY_DIR}) KOKKOS_INCLUDE_DIRECTORIES(${CMAKE_CURRENT_SOURCE_DIR}) @@ -9,7 +6,6 @@ KOKKOS_INCLUDE_DIRECTORIES(${CMAKE_CURRENT_SOURCE_DIR}) FILE(GLOB ALGO_HEADERS *.hpp) FILE(GLOB ALGO_SOURCES *.cpp) -LIST(APPEND ALGO_HEADERS ${CMAKE_CURRENT_BINARY_DIR}/${PACKAGE_NAME}_config.h) APPEND_GLOB(ALGO_HEADERS ${CMAKE_CURRENT_SOURCE_DIR}/std_algorithms/*.hpp) APPEND_GLOB(ALGO_HEADERS ${CMAKE_CURRENT_SOURCE_DIR}/std_algorithms/impl/*.hpp) diff --git a/lib/kokkos/algorithms/src/KokkosAlgorithms_dummy.cpp b/lib/kokkos/algorithms/src/KokkosAlgorithms_dummy.cpp index 9c08a088b0..ddd6374483 100644 --- a/lib/kokkos/algorithms/src/KokkosAlgorithms_dummy.cpp +++ b/lib/kokkos/algorithms/src/KokkosAlgorithms_dummy.cpp @@ -1 +1,17 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + void KOKKOS_ALGORITHMS_SRC_DUMMY_PREVENT_LINK_ERROR() {} diff --git a/lib/kokkos/algorithms/src/Kokkos_NestedSort.hpp b/lib/kokkos/algorithms/src/Kokkos_NestedSort.hpp new file mode 100644 index 0000000000..4c8be792d8 --- /dev/null +++ b/lib/kokkos/algorithms/src/Kokkos_NestedSort.hpp @@ -0,0 +1,188 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + +#ifndef KOKKOS_NESTEDSORT_HPP_ +#define KOKKOS_NESTEDSORT_HPP_ + +#include +#include +#include + +namespace Kokkos { +namespace Experimental { +namespace Impl { + +// true for TeamVectorRange, false for ThreadVectorRange +template +struct NestedRange {}; + +// Specialization for team-level +template <> +struct NestedRange { + template + KOKKOS_FUNCTION static auto create(const TeamMember& t, SizeType len) { + return Kokkos::TeamVectorRange(t, len); + } + template + KOKKOS_FUNCTION static void barrier(const TeamMember& t) { + t.team_barrier(); + } +}; + +// Specialization for thread-level +template <> +struct NestedRange { + template + KOKKOS_FUNCTION static auto create(const TeamMember& t, SizeType len) { + return Kokkos::ThreadVectorRange(t, len); + } + // Barrier is no-op, as vector lanes of a thread are implicitly synchronized + // after parallel region + template + KOKKOS_FUNCTION static void barrier(const TeamMember&) {} +}; + +// When just doing sort (not sort_by_key), use nullptr_t for ValueViewType. +// This only takes the NestedRange instance for template arg deduction. +template +KOKKOS_INLINE_FUNCTION void sort_nested_impl( + const TeamMember& t, const KeyViewType& keyView, + [[maybe_unused]] const ValueViewType& valueView, const Comparator& comp, + const NestedRange) { + using SizeType = typename KeyViewType::size_type; + using KeyType = typename KeyViewType::non_const_value_type; + using Range = NestedRange; + SizeType n = keyView.extent(0); + SizeType npot = 1; + SizeType levels = 0; + // FIXME: ceiling power-of-two is a common thing to need - make it a utility + while (npot < n) { + levels++; + npot <<= 1; + } + for (SizeType i = 0; i < levels; i++) { + for (SizeType j = 0; j <= i; j++) { + // n/2 pairs of items are compared in parallel + Kokkos::parallel_for(Range::create(t, npot / 2), [=](const SizeType k) { + // How big are the brown/pink boxes? + // (Terminology comes from Wikipedia diagram) + // https://commons.wikimedia.org/wiki/File:BitonicSort.svg#/media/File:BitonicSort.svg + SizeType boxSize = SizeType(2) << (i - j); + // Which box contains this thread? + SizeType boxID = k >> (i - j); // k * 2 / boxSize; + SizeType boxStart = boxID << (1 + i - j); // boxID * boxSize + SizeType boxOffset = k - (boxStart >> 1); // k - boxID * boxSize / 2; + SizeType elem1 = boxStart + boxOffset; + // In first phase (j == 0, brown box): within a box, compare with the + // opposite value in the box. + // In later phases (j > 0, pink box): within a box, compare with fixed + // distance (boxSize / 2) apart. + SizeType elem2 = (j == 0) ? (boxStart + boxSize - 1 - boxOffset) + : (elem1 + boxSize / 2); + if (elem2 < n) { + KeyType key1 = keyView(elem1); + KeyType key2 = keyView(elem2); + if (comp(key2, key1)) { + keyView(elem1) = key2; + keyView(elem2) = key1; + if constexpr (!std::is_same_v) { + Kokkos::Experimental::swap(valueView(elem1), valueView(elem2)); + } + } + } + }); + Range::barrier(t); + } + } +} + +} // namespace Impl + +template +KOKKOS_INLINE_FUNCTION void sort_team(const TeamMember& t, + const ViewType& view) { + Impl::sort_nested_impl(t, view, nullptr, + Experimental::Impl::StdAlgoLessThanBinaryPredicate< + typename ViewType::non_const_value_type>(), + Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_team(const TeamMember& t, const ViewType& view, + const Comparator& comp) { + Impl::sort_nested_impl(t, view, nullptr, comp, Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_by_key_team(const TeamMember& t, + const KeyViewType& keyView, + const ValueViewType& valueView) { + Impl::sort_nested_impl(t, keyView, valueView, + Experimental::Impl::StdAlgoLessThanBinaryPredicate< + typename KeyViewType::non_const_value_type>(), + Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_by_key_team(const TeamMember& t, + const KeyViewType& keyView, + const ValueViewType& valueView, + const Comparator& comp) { + Impl::sort_nested_impl(t, keyView, valueView, comp, + Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_thread(const TeamMember& t, + const ViewType& view) { + Impl::sort_nested_impl(t, view, nullptr, + Experimental::Impl::StdAlgoLessThanBinaryPredicate< + typename ViewType::non_const_value_type>(), + Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_thread(const TeamMember& t, + const ViewType& view, + const Comparator& comp) { + Impl::sort_nested_impl(t, view, nullptr, comp, Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_by_key_thread(const TeamMember& t, + const KeyViewType& keyView, + const ValueViewType& valueView) { + Impl::sort_nested_impl(t, keyView, valueView, + Experimental::Impl::StdAlgoLessThanBinaryPredicate< + typename KeyViewType::non_const_value_type>(), + Impl::NestedRange()); +} + +template +KOKKOS_INLINE_FUNCTION void sort_by_key_thread(const TeamMember& t, + const KeyViewType& keyView, + const ValueViewType& valueView, + const Comparator& comp) { + Impl::sort_nested_impl(t, keyView, valueView, comp, + Impl::NestedRange()); +} + +} // namespace Experimental +} // namespace Kokkos +#endif diff --git a/lib/kokkos/algorithms/src/Kokkos_Random.hpp b/lib/kokkos/algorithms/src/Kokkos_Random.hpp index 1d85ffdfb9..abb028d28e 100644 --- a/lib/kokkos/algorithms/src/Kokkos_Random.hpp +++ b/lib/kokkos/algorithms/src/Kokkos_Random.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_RANDOM_HPP #define KOKKOS_RANDOM_HPP @@ -631,8 +603,7 @@ struct Random_XorShift1024_UseCArrayState : std::false_type {}; #endif #ifdef KOKKOS_ENABLE_HIP template <> -struct Random_XorShift1024_UseCArrayState - : std::false_type {}; +struct Random_XorShift1024_UseCArrayState : std::false_type {}; #endif #ifdef KOKKOS_ENABLE_OPENMPTARGET template <> @@ -657,7 +628,7 @@ struct Random_UniqueIndex { #if defined(KOKKOS_ENABLE_CUDA) #define KOKKOS_IMPL_EXECUTION_SPACE_CUDA_OR_HIP Kokkos::Cuda #elif defined(KOKKOS_ENABLE_HIP) -#define KOKKOS_IMPL_EXECUTION_SPACE_CUDA_OR_HIP Kokkos::Experimental::HIP +#define KOKKOS_IMPL_EXECUTION_SPACE_CUDA_OR_HIP Kokkos::HIP #endif template @@ -907,38 +878,32 @@ class Random_XorShift64_Pool { using execution_space = typename device_type::execution_space; using locks_type = View; using state_data_type = View; - locks_type locks_; - state_data_type state_; - int num_states_; - int padding_; + + locks_type locks_ = {}; + state_data_type state_ = {}; + int num_states_ = {}; + int padding_ = {}; public: using generator_type = Random_XorShift64; - KOKKOS_INLINE_FUNCTION - Random_XorShift64_Pool() { - num_states_ = 0; - padding_ = 0; - } +#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4 + KOKKOS_DEFAULTED_FUNCTION Random_XorShift64_Pool() = default; + + KOKKOS_DEFAULTED_FUNCTION Random_XorShift64_Pool( + Random_XorShift64_Pool const&) = default; + + KOKKOS_DEFAULTED_FUNCTION Random_XorShift64_Pool& operator=( + Random_XorShift64_Pool const&) = default; +#else + Random_XorShift64_Pool() = default; +#endif Random_XorShift64_Pool(uint64_t seed) { num_states_ = 0; init(seed, execution_space().concurrency()); } - KOKKOS_INLINE_FUNCTION - Random_XorShift64_Pool(const Random_XorShift64_Pool& src) - : locks_(src.locks_), state_(src.state_), num_states_(src.num_states_) {} - - KOKKOS_INLINE_FUNCTION - Random_XorShift64_Pool operator=(const Random_XorShift64_Pool& src) { - locks_ = src.locks_; - state_ = src.state_; - num_states_ = src.num_states_; - padding_ = src.padding_; - return *this; - } - void init(uint64_t seed, int num_states) { if (seed == 0) seed = uint64_t(1318319); // I only want to pad on CPU like archs (less than 1000 threads). 64 is a @@ -976,8 +941,8 @@ class Random_XorShift64_Pool { deep_copy(locks_, h_lock); } - KOKKOS_INLINE_FUNCTION - Random_XorShift64 get_state() const { + KOKKOS_INLINE_FUNCTION Random_XorShift64 get_state() const { + KOKKOS_EXPECTS(num_states_ > 0); const int i = Impl::Random_UniqueIndex::get_state_idx(locks_); return Random_XorShift64(state_(i, 0), i); } @@ -1158,43 +1123,35 @@ class Random_XorShift1024_Pool { using int_view_type = View; using state_data_type = View; - locks_type locks_; - state_data_type state_; - int_view_type p_; - int num_states_; - int padding_; + locks_type locks_ = {}; + state_data_type state_ = {}; + int_view_type p_ = {}; + int num_states_ = {}; + int padding_ = {}; friend class Random_XorShift1024; public: using generator_type = Random_XorShift1024; - KOKKOS_INLINE_FUNCTION - Random_XorShift1024_Pool() { num_states_ = 0; } +#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4 + KOKKOS_DEFAULTED_FUNCTION Random_XorShift1024_Pool() = default; - inline Random_XorShift1024_Pool(uint64_t seed) { + KOKKOS_DEFAULTED_FUNCTION Random_XorShift1024_Pool( + Random_XorShift1024_Pool const&) = default; + + KOKKOS_DEFAULTED_FUNCTION Random_XorShift1024_Pool& operator=( + Random_XorShift1024_Pool const&) = default; +#else + Random_XorShift1024_Pool() = default; +#endif + + Random_XorShift1024_Pool(uint64_t seed) { num_states_ = 0; init(seed, execution_space().concurrency()); } - KOKKOS_INLINE_FUNCTION - Random_XorShift1024_Pool(const Random_XorShift1024_Pool& src) - : locks_(src.locks_), - state_(src.state_), - p_(src.p_), - num_states_(src.num_states_) {} - - KOKKOS_INLINE_FUNCTION - Random_XorShift1024_Pool operator=(const Random_XorShift1024_Pool& src) { - locks_ = src.locks_; - state_ = src.state_; - p_ = src.p_; - num_states_ = src.num_states_; - padding_ = src.padding_; - return *this; - } - - inline void init(uint64_t seed, int num_states) { + void init(uint64_t seed, int num_states) { if (seed == 0) seed = uint64_t(1318319); // I only want to pad on CPU like archs (less than 1000 threads). 64 is a // magic number, or random number I just wanted something not too large and @@ -1237,6 +1194,7 @@ class Random_XorShift1024_Pool { KOKKOS_INLINE_FUNCTION Random_XorShift1024 get_state() const { + KOKKOS_EXPECTS(num_states_ > 0); const int i = Impl::Random_UniqueIndex::get_state_idx(locks_); return Random_XorShift1024(state_, p_(i, 0), i); }; @@ -1556,7 +1514,7 @@ void fill_random(const ExecutionSpace& exec, ViewType a, RandomPool g, "Kokkos::fill_random", Kokkos::RangePolicy(exec, 0, (LDA + 127) / 128), Impl::fill_random_functor_begin_end( + ViewType::rank, IndexType>( a, g, begin, end)); } diff --git a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp index c7be70e09a..10f9ad6462 100644 --- a/lib/kokkos/algorithms/src/Kokkos_Sort.hpp +++ b/lib/kokkos/algorithms/src/Kokkos_Sort.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_SORT_HPP_ #define KOKKOS_SORT_HPP_ @@ -50,14 +22,60 @@ #endif #include - +#include +#include #include +#if defined(KOKKOS_ENABLE_CUDA) + +// Workaround for `Instruction 'shfl' without '.sync' is not supported on +// .target sm_70 and higher from PTX ISA version 6.4`. +// Also see https://github.com/NVIDIA/cub/pull/170. +#if !defined(CUB_USE_COOPERATIVE_GROUPS) +#define CUB_USE_COOPERATIVE_GROUPS +#endif + +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wshadow" + +#if defined(KOKKOS_COMPILER_CLANG) +// Some versions of Clang fail to compile Thrust, failing with errors like +// this: +// /thrust/system/cuda/detail/core/agent_launcher.h:557:11: +// error: use of undeclared identifier 'va_printf' +// The exact combination of versions for Clang and Thrust (or CUDA) for this +// failure was not investigated, however even very recent version combination +// (Clang 10.0.0 and Cuda 10.0) demonstrated failure. +// +// Defining _CubLog here locally allows us to avoid that code path, however +// disabling some debugging diagnostics +#pragma push_macro("_CubLog") +#ifdef _CubLog +#undef _CubLog +#endif +#define _CubLog +#include +#include +#pragma pop_macro("_CubLog") +#else +#include +#include +#endif + +#pragma GCC diagnostic pop + +#endif + +#if defined(KOKKOS_ENABLE_ONEDPL) +#include +#include +#endif + namespace Kokkos { namespace Impl { -template +template struct CopyOp; template @@ -128,8 +146,12 @@ class BinSort { Kokkos::is_view::value, Kokkos::View >, + typename SrcViewType::device_type +#if !defined(KOKKOS_COMPILER_NVHPC) // FIXME_NVHPC + , + Kokkos::MemoryTraits +#endif + >, typename SrcViewType::const_type>; using perm_view_type = typename PermuteViewType::const_type; @@ -208,7 +230,11 @@ class BinSort { bool sort_within_bins; public: - BinSort() = default; +#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4 + KOKKOS_DEPRECATED BinSort() = default; +#else + BinSort() = delete; +#endif //---------------------------------------- // Constructor: takes the keys, the binning_operator and optionally whether to @@ -311,6 +337,10 @@ class BinSort { template void sort(const ExecutionSpace& exec, ValuesViewType const& values, int values_range_begin, int values_range_end) const { + if (values.extent(0) == 0) { + return; + } + static_assert( Kokkos::SpaceAccessibility::accessible, @@ -322,11 +352,6 @@ class BinSort { "The provided execution space must be able to access the memory space " "of the View argument!"); - using scratch_view_type = - Kokkos::View; - const size_t len = range_end - range_begin; const size_t values_len = values_range_end - values_range_begin; if (len != values_len) { @@ -334,6 +359,9 @@ class BinSort { "BinSort::sort: values range length != permutation vector length"); } + using scratch_view_type = + Kokkos::View; scratch_view_type sorted_values( view_alloc(exec, WithoutInitializing, "Kokkos::SortImpl::BinSortFunctor::sorted_values"), @@ -438,24 +466,29 @@ class BinSort { void operator()(const bin_sort_bins_tag& /*tag*/, const int i) const { auto bin_size = bin_count_const(i); if (bin_size <= 1) return; - int upper_bound = bin_offsets(i) + bin_size; - bool sorted = false; - while (!sorted) { - sorted = true; - int old_idx = sort_order(bin_offsets(i)); - int new_idx = 0; - for (int k = bin_offsets(i) + 1; k < upper_bound; k++) { - new_idx = sort_order(k); - - if (!bin_op(keys_rnd, old_idx, new_idx)) { - sort_order(k - 1) = new_idx; - sort_order(k) = old_idx; - sorted = false; - } else { - old_idx = new_idx; - } + constexpr bool use_std_sort = + std::is_same_v; + int lower_bound = bin_offsets(i); + int upper_bound = lower_bound + bin_size; + // Switching to std::sort for more than 10 elements has been found + // reasonable experimentally. + if (use_std_sort && bin_size > 10) { + if constexpr (use_std_sort) { + std::sort(&sort_order(lower_bound), &sort_order(upper_bound), + [this](int p, int q) { return bin_op(keys_rnd, p, q); }); + } + } else { + for (int k = lower_bound + 1; k < upper_bound; ++k) { + int old_idx = sort_order(k); + int j = k - 1; + while (j >= lower_bound) { + int new_idx = sort_order(j); + if (!bin_op(keys_rnd, old_idx, new_idx)) break; + sort_order(j + 1) = new_idx; + --j; + } + sort_order(j + 1) = old_idx; } - upper_bound--; } } }; @@ -468,7 +501,11 @@ struct BinOp1D { double mul_ = {}; double min_ = {}; - BinOp1D() = default; +#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4 + KOKKOS_DEPRECATED BinOp1D() = default; +#else + BinOp1D() = delete; +#endif // Construct BinOp with number of bins, minimum value and maximum value BinOp1D(int max_bins__, typename KeyViewType::const_value_type min, @@ -512,7 +549,11 @@ struct BinOp3D { double mul_[3] = {}; double min_[3] = {}; - BinOp3D() = default; +#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_4 + KOKKOS_DEPRECATED BinOp3D() = default; +#else + BinOp3D() = delete; +#endif BinOp3D(int max_bins__[], typename KeyViewType::const_value_type min[], typename KeyViewType::const_value_type max[]) { @@ -559,24 +600,6 @@ struct BinOp3D { namespace Impl { -template -bool try_std_sort(ViewType view, const ExecutionSpace& exec) { - bool possible = true; - size_t stride[8] = {view.stride_0(), view.stride_1(), view.stride_2(), - view.stride_3(), view.stride_4(), view.stride_5(), - view.stride_6(), view.stride_7()}; - possible = possible && - SpaceAccessibility::accessible; - possible = possible && (ViewType::Rank == 1); - possible = possible && (stride[0] == 1); - if (possible) { - exec.fence("Kokkos::sort: Fence before sorting on the host"); - std::sort(view.data(), view.data() + view.extent(0)); - } - return possible; -} - template struct min_max_functor { using minmax_scalar = @@ -594,9 +617,18 @@ struct min_max_functor { } // namespace Impl -template -std::enable_if_t::value> sort( - const ExecutionSpace& exec, ViewType const& view) { +template +std::enable_if_t<(Kokkos::is_execution_space::value) && + (!SpaceAccessibility< + HostSpace, typename Kokkos::View:: + memory_space>::accessible)> +sort(const ExecutionSpace& exec, + const Kokkos::View& view) { + if (view.extent(0) == 0) { + return; + } + + using ViewType = Kokkos::View; using CompType = BinOp1D; Kokkos::MinMaxScalar result; @@ -634,44 +666,84 @@ std::enable_if_t::value> sort( bin_sort.sort(exec, view); } -#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_3 -template -KOKKOS_DEPRECATED_WITH_COMMENT( - "Use the overload not taking bool always_use_kokkos_sort") -std::enable_if_t::value> sort( - const ExecutionSpace& exec, ViewType const& view, - bool const always_use_kokkos_sort) { - if (!always_use_kokkos_sort && Impl::try_std_sort(view, exec)) { +#if defined(KOKKOS_ENABLE_ONEDPL) +template +void sort(const Experimental::SYCL& space, + const Kokkos::View& view) { + if (view.extent(0) == 0) { return; - } else { - sort(exec, view); } + + using ViewType = Kokkos::View; + static_assert(SpaceAccessibility::accessible, + "SYCL execution space is not able to access the memory space " + "of the View argument!"); + + auto queue = space.sycl_queue(); + auto policy = oneapi::dpl::execution::make_device_policy(queue); + + // Can't use Experimental::begin/end here since the oneDPL then assumes that + // the data is on the host. + static_assert( + ViewType::rank == 1 && + (std::is_same::value || + std::is_same::value), + "SYCL sort only supports contiguous 1D Views."); + const int n = view.extent(0); + oneapi::dpl::sort(policy, view.data(), view.data() + n); +} +#endif + +template +std::enable_if_t<(Kokkos::is_execution_space::value) && + (SpaceAccessibility< + HostSpace, typename Kokkos::View:: + memory_space>::accessible)> +sort(const ExecutionSpace&, const Kokkos::View& view) { + if (view.extent(0) == 0) { + return; + } + auto first = Experimental::begin(view); + auto last = Experimental::end(view); + std::sort(first, last); +} + +#if defined(KOKKOS_ENABLE_CUDA) +template +void sort(const Cuda& space, + const Kokkos::View& view) { + if (view.extent(0) == 0) { + return; + } + const auto exec = thrust::cuda::par.on(space.cuda_stream()); + auto first = Experimental::begin(view); + auto last = Experimental::end(view); + thrust::sort(exec, first, last); } #endif template void sort(ViewType const& view) { Kokkos::fence("Kokkos::sort: before"); + + if (view.extent(0) == 0) { + return; + } + typename ViewType::execution_space exec; sort(exec, view); exec.fence("Kokkos::sort: fence after sorting"); } -#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_3 -template -KOKKOS_DEPRECATED_WITH_COMMENT( - "Use the overload not taking bool always_use_kokkos_sort") -void sort(ViewType const& view, bool const always_use_kokkos_sort) { - typename ViewType::execution_space exec; - sort(exec, view, always_use_kokkos_sort); - exec.fence("Kokkos::Sort: fence after sorting"); -} -#endif - template std::enable_if_t::value> sort( const ExecutionSpace& exec, ViewType view, size_t const begin, size_t const end) { + if (view.extent(0) == 0) { + return; + } + using range_policy = Kokkos::RangePolicy; using CompType = BinOp1D; @@ -694,6 +766,11 @@ std::enable_if_t::value> sort( template void sort(ViewType view, size_t const begin, size_t const end) { Kokkos::fence("Kokkos::sort: before"); + + if (view.extent(0) == 0) { + return; + } + typename ViewType::execution_space exec; sort(exec, view, begin, end); exec.fence("Kokkos::Sort: fence after sorting"); diff --git a/lib/kokkos/algorithms/src/Kokkos_StdAlgorithms.hpp b/lib/kokkos/algorithms/src/Kokkos_StdAlgorithms.hpp index 3e0f731cf0..436ae0d10b 100644 --- a/lib/kokkos/algorithms/src/Kokkos_StdAlgorithms.hpp +++ b/lib/kokkos/algorithms/src/Kokkos_StdAlgorithms.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_HPP #define KOKKOS_STD_ALGORITHMS_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentDifference.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentDifference.hpp index 0a7cf06f5b..38dcd1a674 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentDifference.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentDifference.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ADJACENT_DIFFERENCE_HPP #define KOKKOS_STD_ALGORITHMS_ADJACENT_DIFFERENCE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentFind.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentFind.hpp index 332f9dd369..43c2b66010 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentFind.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AdjacentFind.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ADJACENT_FIND_HPP #define KOKKOS_STD_ALGORITHMS_ADJACENT_FIND_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AllOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AllOf.hpp index 66a49541f3..2ffec7e144 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AllOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AllOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ALL_OF_HPP #define KOKKOS_STD_ALGORITHMS_ALL_OF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AnyOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AnyOf.hpp index e50e90f6da..019c466c6d 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AnyOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_AnyOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ANY_OF_HPP #define KOKKOS_STD_ALGORITHMS_ANY_OF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_BeginEnd.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_BeginEnd.hpp index 5449196192..3836d4bf62 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_BeginEnd.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_BeginEnd.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_BEGIN_END_HPP #define KOKKOS_BEGIN_END_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Copy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Copy.hpp index b3237041b7..028f3b66b2 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Copy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Copy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COPY_HPP #define KOKKOS_STD_ALGORITHMS_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyBackward.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyBackward.hpp index 83efd96672..deff6baf9a 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyBackward.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyBackward.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COPY_BACKWARD_HPP #define KOKKOS_STD_ALGORITHMS_COPY_BACKWARD_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyIf.hpp index c83cc29886..3db2fc074f 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COPY_IF_HPP #define KOKKOS_STD_ALGORITHMS_COPY_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyN.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyN.hpp index 7f3b9374c7..a64f99b5c0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CopyN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COPY_N_HPP #define KOKKOS_STD_ALGORITHMS_COPY_N_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Count.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Count.hpp index a885ee4ad2..3ac63467ec 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Count.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Count.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COUNT_HPP #define KOKKOS_STD_ALGORITHMS_COUNT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CountIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CountIf.hpp index 98b9d74c4c..b9731d378a 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CountIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_CountIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_COUNT_IF_HPP #define KOKKOS_STD_ALGORITHMS_COUNT_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Distance.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Distance.hpp index 4e148642b1..8605606307 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Distance.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Distance.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_DISTANCE_HPP #define KOKKOS_STD_ALGORITHMS_DISTANCE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Equal.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Equal.hpp index 8634019fad..37c0d75ef5 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Equal.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Equal.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_EQUAL_HPP #define KOKKOS_STD_ALGORITHMS_EQUAL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ExclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ExclusiveScan.hpp index b97710f24f..4e05676c2c 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ExclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ExclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_EXCLUSIVE_SCAN_HPP #define KOKKOS_STD_ALGORITHMS_EXCLUSIVE_SCAN_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Fill.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Fill.hpp index 200e03b9dc..1e300a4c20 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Fill.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Fill.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FILL_HPP #define KOKKOS_STD_ALGORITHMS_FILL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FillN.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FillN.hpp index 2e814dc55f..02503dfd14 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FillN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FillN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FILL_N_HPP #define KOKKOS_STD_ALGORITHMS_FILL_N_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Find.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Find.hpp index 6758f00ce4..65b68cf931 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Find.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Find.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_HPP #define KOKKOS_STD_ALGORITHMS_FIND_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindEnd.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindEnd.hpp index 61b54c8225..f6a38855eb 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindEnd.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindEnd.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_END_HPP #define KOKKOS_STD_ALGORITHMS_FIND_END_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindFirstOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindFirstOf.hpp index b8c27cb272..6b0e4993ee 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindFirstOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindFirstOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_FIRST_OF_HPP #define KOKKOS_STD_ALGORITHMS_FIND_FIRST_OF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIf.hpp index 54896da117..911316a668 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_IF_HPP #define KOKKOS_STD_ALGORITHMS_FIND_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIfNot.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIfNot.hpp index cfe6bb84d8..18294d7b7d 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIfNot.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_FindIfNot.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_IF_NOT_HPP #define KOKKOS_STD_ALGORITHMS_FIND_IF_NOT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEach.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEach.hpp index 8a2f90e82b..d7b08e4842 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEach.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEach.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FOR_EACH_HPP #define KOKKOS_STD_ALGORITHMS_FOR_EACH_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEachN.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEachN.hpp index dd917a33e8..f1769da05b 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEachN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ForEachN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FOR_EACH_N_HPP #define KOKKOS_STD_ALGORITHMS_FOR_EACH_N_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Generate.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Generate.hpp index 955cb42d4b..13e12783e0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Generate.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Generate.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_GENERATE_HPP #define KOKKOS_STD_ALGORITHMS_GENERATE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_GenerateN.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_GenerateN.hpp index 470edb1596..4d17512228 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_GenerateN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_GenerateN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_GENERATE_N_HPP #define KOKKOS_STD_ALGORITHMS_GENERATE_N_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_InclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_InclusiveScan.hpp index c34b5f43c9..bcd731b850 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_InclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_InclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_INCLUSIVE_SCAN_HPP #define KOKKOS_STD_ALGORITHMS_INCLUSIVE_SCAN_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsPartitioned.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsPartitioned.hpp index 8a2ca207ae..29d6be9e8b 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsPartitioned.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsPartitioned.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_PARTITIONED_HPP #define KOKKOS_STD_ALGORITHMS_IS_PARTITIONED_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSorted.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSorted.hpp index 0ab466f338..f036254a02 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSorted.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSorted.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_SORTED_HPP #define KOKKOS_STD_ALGORITHMS_IS_SORTED_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSortedUntil.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSortedUntil.hpp index c480d9ee5a..276b3bb884 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSortedUntil.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IsSortedUntil.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_SORTED_UNTIL_HPP #define KOKKOS_STD_ALGORITHMS_IS_SORTED_UNTIL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IterSwap.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IterSwap.hpp index 1174740a5b..a796a306dd 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IterSwap.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_IterSwap.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ITER_SWAP_HPP #define KOKKOS_STD_ALGORITHMS_ITER_SWAP_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_LexicographicalCompare.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_LexicographicalCompare.hpp index 4704a9ec56..0a77ef629f 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_LexicographicalCompare.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_LexicographicalCompare.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_LEXICOGRAPHICAL_COMPARE_HPP #define KOKKOS_STD_ALGORITHMS_LEXICOGRAPHICAL_COMPARE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MaxElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MaxElement.hpp index 5f6e5cbf62..2c1374f700 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MaxElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MaxElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MAX_ELEMENT_HPP #define KOKKOS_STD_ALGORITHMS_MAX_ELEMENT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinElement.hpp index 63cc548960..1d03b7c962 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MIN_ELEMENT_HPP #define KOKKOS_STD_ALGORITHMS_MIN_ELEMENT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinMaxElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinMaxElement.hpp index 07cdefcc05..d481b499cc 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinMaxElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MinMaxElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MINMAX_ELEMENT_HPP #define KOKKOS_STD_ALGORITHMS_MINMAX_ELEMENT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Mismatch.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Mismatch.hpp index 3418e048a9..13c994ca90 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Mismatch.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Mismatch.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MISMATCH_HPP #define KOKKOS_STD_ALGORITHMS_MISMATCH_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Move.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Move.hpp index c2ce4655fa..d49acd9f70 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Move.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Move.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MOVE_HPP #define KOKKOS_STD_ALGORITHMS_MOVE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MoveBackward.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MoveBackward.hpp index f7462d52d8..60d50fa881 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MoveBackward.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_MoveBackward.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MOVE_BACKWARD_HPP #define KOKKOS_STD_ALGORITHMS_MOVE_BACKWARD_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_NoneOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_NoneOf.hpp index 30ffb52442..cf5de3b72b 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_NoneOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_NoneOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_NONE_OF_HPP #define KOKKOS_STD_ALGORITHMS_NONE_OF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionCopy.hpp index 5b00669fd1..38c0a35b62 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_PARTITION_COPY_HPP #define KOKKOS_STD_ALGORITHMS_PARTITION_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionPoint.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionPoint.hpp index b714d5a271..24798e377e 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionPoint.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_PartitionPoint.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_PARTITION_POINT_HPP #define KOKKOS_STD_ALGORITHMS_PARTITION_POINT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reduce.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reduce.hpp index 3cf9153202..a31fa1497a 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reduce.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reduce.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REDUCE_HPP #define KOKKOS_STD_ALGORITHMS_REDUCE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Remove.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Remove.hpp index d8d7c999b6..c8602d2f53 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Remove.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Remove.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REMOVE_HPP #define KOKKOS_STD_ALGORITHMS_REMOVE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopy.hpp index 7d5c163af9..c2c06f6202 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REMOVE_COPY_HPP #define KOKKOS_STD_ALGORITHMS_REMOVE_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopyIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopyIf.hpp index 8a9a3e4c14..6d642ed6f0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopyIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveCopyIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REMOVE_COPY_IF_HPP #define KOKKOS_STD_ALGORITHMS_REMOVE_COPY_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveIf.hpp index e4171ca917..4062e8d373 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RemoveIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REMOVE_IF_HPP #define KOKKOS_STD_ALGORITHMS_REMOVE_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Replace.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Replace.hpp index 10ca46af25..4d1490ded0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Replace.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Replace.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopy.hpp index f5136eb438..e7f464e4bd 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_COPY_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopyIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopyIf.hpp index a3f3fe69ab..71ae8f8452 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopyIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceCopyIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IF_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceIf.hpp index bdb59f28af..7f06540e06 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReplaceIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_IF_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_IF_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reverse.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reverse.hpp index 4848b20f66..9f2fc5f3cc 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reverse.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Reverse.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REVERSE_HPP #define KOKKOS_STD_ALGORITHMS_REVERSE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReverseCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReverseCopy.hpp index bb4462bf41..279bb22086 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReverseCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ReverseCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REVERSE_COPY_HPP #define KOKKOS_STD_ALGORITHMS_REVERSE_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Rotate.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Rotate.hpp index 39975811a4..738e9bf137 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Rotate.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Rotate.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ROTATE_HPP #define KOKKOS_STD_ALGORITHMS_ROTATE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RotateCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RotateCopy.hpp index f98686ab63..f5d826c4bb 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RotateCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_RotateCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ROTATE_COPY_HPP #define KOKKOS_STD_ALGORITHMS_ROTATE_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Search.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Search.hpp index ce656da31c..b1154b297e 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Search.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Search.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SEARCH_HPP #define KOKKOS_STD_ALGORITHMS_SEARCH_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SearchN.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SearchN.hpp index 854d911e76..a649c8f205 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SearchN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SearchN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SEARCH_N_HPP #define KOKKOS_STD_ALGORITHMS_SEARCH_N_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftLeft.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftLeft.hpp index cee111af98..4b91a17ab8 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftLeft.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftLeft.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SHIFT_LEFT_HPP #define KOKKOS_STD_ALGORITHMS_SHIFT_LEFT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftRight.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftRight.hpp index f104d2bd7a..2ea50fd74e 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftRight.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_ShiftRight.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SHIFT_RIGHT_HPP #define KOKKOS_STD_ALGORITHMS_SHIFT_RIGHT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Swap.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Swap.hpp index 9006aa9167..acd2a572c8 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Swap.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Swap.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SWAP_HPP #define KOKKOS_STD_ALGORITHMS_SWAP_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SwapRanges.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SwapRanges.hpp index 2997cdab4b..5fbf045318 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SwapRanges.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_SwapRanges.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SWAP_RANGES_HPP #define KOKKOS_STD_ALGORITHMS_SWAP_RANGES_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Transform.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Transform.hpp index 6dfb83a8c0..27dee30426 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Transform.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Transform.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformExclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformExclusiveScan.hpp index d0073599b0..9d85aee06f 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformExclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformExclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRASFORM_EXCLUSIVE_SCAN_HPP #define KOKKOS_STD_ALGORITHMS_TRASFORM_EXCLUSIVE_SCAN_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformInclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformInclusiveScan.hpp index 088e162adb..7489af7e37 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformInclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformInclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_INCLUSIVE_SCAN_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_INCLUSIVE_SCAN_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformReduce.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformReduce.hpp index 5caced5917..b5ec9066d2 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformReduce.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_TransformReduce.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_REDUCE_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_REDUCE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Unique.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Unique.hpp index aeb54a6ffe..b47ecffb20 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Unique.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_Unique.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_UNIQUE_HPP #define KOKKOS_STD_ALGORITHMS_UNIQUE_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_UniqueCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_UniqueCopy.hpp index 632b560fa8..bd2451c220 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/Kokkos_UniqueCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/Kokkos_UniqueCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_UNIQUE_COPY_HPP #define KOKKOS_STD_ALGORITHMS_UNIQUE_COPY_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentDifference.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentDifference.hpp index 35c78b86bf..8a474508d7 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentDifference.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentDifference.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ADJACENT_DIFFERENCE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_ADJACENT_DIFFERENCE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentFind.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentFind.hpp index 155f6c7bb8..dd785e603b 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentFind.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AdjacentFind.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ADJACENT_FIND_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_ADJACENT_FIND_IMPL_HPP @@ -70,12 +42,13 @@ struct StdAdjacentFindFunctor { const auto& next_value = m_first[i + 1]; const bool are_equal = m_p(my_value, next_value); - auto rv = - are_equal - ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type value = {::Kokkos::reduction_identity::min()}; + if (are_equal) { + value.min_loc_true = i; + } - m_reducer.join(red_value, rv); + m_reducer.join(red_value, value); } KOKKOS_FUNCTION diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AllOfAnyOfNoneOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AllOfAnyOfNoneOf.hpp index dd8ae4f5b4..ad562070a0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AllOfAnyOfNoneOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_AllOfAnyOfNoneOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ALL_OF_ANY_OF_NONE_OF_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_ALL_OF_ANY_OF_NONE_OF_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Constraints.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Constraints.hpp index ec54cd1900..0376100410 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Constraints.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Constraints.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_CONSTRAINTS_HPP_ #define KOKKOS_STD_ALGORITHMS_CONSTRAINTS_HPP_ @@ -57,7 +29,7 @@ struct is_admissible_to_kokkos_std_algorithms : std::false_type {}; template struct is_admissible_to_kokkos_std_algorithms< - T, std::enable_if_t< ::Kokkos::is_view::value && T::rank == 1 && + T, std::enable_if_t< ::Kokkos::is_view::value && T::rank() == 1 && (std::is_same::value || std::is_same::max()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::max()}; + if (found) { + rv.max_loc_true = i; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindFirstOf.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindFirstOf.hpp index 6907bbdbc3..5f22d2ad13 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindFirstOf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindFirstOf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_FIRST_OF_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_FIND_FIRST_OF_IMPL_HPP @@ -80,10 +52,11 @@ struct StdFindFirstOfFunctor { } } - const auto rv = - found ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; - + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::min()}; + if (found) { + rv.min_loc_true = i; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindIfOrNot.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindIfOrNot.hpp index c79c4b5216..9c0b0c0ccd 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindIfOrNot.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_FindIfOrNot.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FIND_IF_AND_FIND_IF_NOT_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_FIND_IF_AND_FIND_IF_NOT_IMPL_HPP @@ -72,10 +44,11 @@ struct StdFindIfOrNotFunctor { // if doing find_if_not, look for when predicate is false const bool found_condition = is_find_if ? m_p(my_value) : !m_p(my_value); - auto rv = - found_condition - ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::min()}; + if (found_condition) { + rv.min_loc_true = i; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ForEachForEachN.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ForEachForEachN.hpp index 8bd37b13bc..f9a6ff2e99 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ForEachForEachN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ForEachForEachN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_FOR_EACH_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_FOR_EACH_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_GenerateGenerateN.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_GenerateGenerateN.hpp index f01d9bfb55..228390bdff 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_GenerateGenerateN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_GenerateGenerateN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_GENERATE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_GENERATE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_HelperPredicates.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_HelperPredicates.hpp index 244bce48e4..db0def6f22 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_HelperPredicates.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_HelperPredicates.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_HELPER_PREDICATES_HPP #define KOKKOS_STD_ALGORITHMS_HELPER_PREDICATES_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IdentityReferenceUnaryFunctor.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IdentityReferenceUnaryFunctor.hpp index f41e567c9b..252511c5d0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IdentityReferenceUnaryFunctor.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IdentityReferenceUnaryFunctor.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_NUMERIC_IDENTITY_REFERENCE_UNARY_FUNCTOR_HPP #define KOKKOS_STD_ALGORITHMS_NUMERIC_IDENTITY_REFERENCE_UNARY_FUNCTOR_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_InclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_InclusiveScan.hpp index 2088ebd439..ecd6ff39cd 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_InclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_InclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_INCLUSIVE_SCAN_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_INCLUSIVE_SCAN_IMPL_HPP @@ -118,6 +90,8 @@ struct InclusiveScanDefaultFunctor { KOKKOS_FUNCTION void join(value_type& update, const value_type& input) const { + if (input.is_initial) return; + if (update.is_initial) { update.val = input.val; } else { diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsPartitioned.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsPartitioned.hpp index 0f00bebb6d..0fe2d246ff 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsPartitioned.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsPartitioned.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_PARTITIONED_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_IS_PARTITIONED_IMPL_HPP @@ -71,8 +43,12 @@ struct StdIsPartitionedFunctor { ::Kokkos::reduction_identity::min(); constexpr index_type m_red_id_max = ::Kokkos::reduction_identity::max(); - auto rv = predicate_value ? red_value_type{i, m_red_id_min} - : red_value_type{m_red_id_max, i}; + + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {m_red_id_max, i}; + if (predicate_value) { + rv = {i, m_red_id_min}; + } m_reducer.join(redValue, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSorted.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSorted.hpp index 4e36ae3890..4696821586 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSorted.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSorted.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_SORTED_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_IS_SORTED_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSortedUntil.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSortedUntil.hpp index 4e99c301b2..2a0c112bf5 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSortedUntil.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_IsSortedUntil.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_IS_SORTED_UNTIL_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_IS_SORTED_UNTIL_IMPL_HPP @@ -56,33 +28,30 @@ namespace Kokkos { namespace Experimental { namespace Impl { -template +template struct StdIsSortedUntilFunctor { using index_type = typename IteratorType::difference_type; + using value_type = typename ReducerType::value_type; + IteratorType m_first; - IndicatorViewType m_indicator; ComparatorType m_comparator; + ReducerType m_reducer; KOKKOS_FUNCTION - void operator()(const index_type i, int& update, const bool final) const { + void operator()(const index_type i, value_type& reduction_result) const { const auto& val_i = m_first[i]; const auto& val_ip1 = m_first[i + 1]; - if (m_comparator(val_ip1, val_i)) { - ++update; - } - - if (final) { - m_indicator(i) = update; + m_reducer.join(reduction_result, i); } } KOKKOS_FUNCTION - StdIsSortedUntilFunctor(IteratorType _first1, IndicatorViewType indicator, - ComparatorType comparator) - : m_first(std::move(_first1)), - m_indicator(std::move(indicator)), - m_comparator(std::move(comparator)) {} + StdIsSortedUntilFunctor(IteratorType first, ComparatorType comparator, + ReducerType reducer) + : m_first(std::move(first)), + m_comparator(std::move(comparator)), + m_reducer(std::move(reducer)) {} }; template @@ -101,40 +70,31 @@ IteratorType is_sorted_until_impl(const std::string& label, } /* - use scan and a helper "indicator" view - such that we scan the data and fill the indicator with - partial sum that is always 0 unless we find a pair that - breaks the sorting, so in that case the indicator will - have a 1 starting at the location where the sorting breaks. - So finding that 1 means finding the location we want. - */ + Do a par_reduce computing the *min* index that breaks the sorting. + If such an index is found, then the range is sorted until that element. + If no such index is found, then the range is sorted until the end. + */ + using index_type = typename IteratorType::difference_type; + index_type reduction_result; + ::Kokkos::Min reducer(reduction_result); + ::Kokkos::parallel_reduce( + label, + // use num_elements-1 because each index handles i and i+1 + RangePolicy(ex, 0, num_elements - 1), + // use CTAD + StdIsSortedUntilFunctor(first, comp, reducer), reducer); - // aliases - using indicator_value_type = std::size_t; - using indicator_view_type = - ::Kokkos::View; - using functor_type = - StdIsSortedUntilFunctor; - - // do scan - // use num_elements-1 because each index handles i and i+1 - const auto num_elements_minus_one = num_elements - 1; - indicator_view_type indicator("is_sorted_until_indicator_helper", - num_elements_minus_one); - ::Kokkos::parallel_scan( - label, RangePolicy(ex, 0, num_elements_minus_one), - functor_type(first, indicator, std::move(comp))); - - // try to find the first sentinel value, which indicates - // where the sorting condition breaks - namespace KE = ::Kokkos::Experimental; - constexpr indicator_value_type sentinel_value = 1; - auto r = - KE::find(ex, KE::cbegin(indicator), KE::cend(indicator), sentinel_value); - const auto shift = r - ::Kokkos::Experimental::cbegin(indicator); - - return first + (shift + 1); + /* If the reduction result is equal to the initial value, + it means the range is sorted until the end */ + index_type reduction_result_init; + reducer.init(reduction_result_init); + if (reduction_result == reduction_result_init) { + return last; + } else { + /* If such an index is found, then the range is sorted until there and + we need to return an iterator past the element found so do +1 */ + return first + (reduction_result + 1); + } } template diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_LexicographicalCompare.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_LexicographicalCompare.hpp index c3dd13e6b5..ad7f59232e 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_LexicographicalCompare.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_LexicographicalCompare.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_LEXICOGRAPHICAL_COMPARE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_LEXICOGRAPHICAL_COMPARE_IMPL_HPP @@ -91,12 +63,14 @@ struct StdLexicographicalCompareFunctor { const auto& my_value1 = m_first1[i]; const auto& my_value2 = m_first2[i]; - bool different = m_comparator(my_value1, my_value2) || - m_comparator(my_value2, my_value1); - auto rv = - different - ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + const bool different = m_comparator(my_value1, my_value2) || + m_comparator(my_value2, my_value1); + + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::min()}; + if (different) { + rv.min_loc_true = i; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MinMaxMinmaxElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MinMaxMinmaxElement.hpp index 0a9d41b9bb..048420f7a8 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MinMaxMinmaxElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MinMaxMinmaxElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MIN_MAX_MINMAX_ELEMENT_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_MIN_MAX_MINMAX_ELEMENT_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Mismatch.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Mismatch.hpp index 180afe925c..b742684467 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Mismatch.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Mismatch.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MISMATCH_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_MISMATCH_IMPL_HPP @@ -70,10 +42,11 @@ struct StdMismatchRedFunctor { const auto& my_value1 = m_first1[i]; const auto& my_value2 = m_first2[i]; - auto rv = - !m_predicate(my_value1, my_value2) - ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {i}; + if (m_predicate(my_value1, my_value2)) { + rv = {::Kokkos::reduction_identity::min()}; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Move.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Move.hpp index 6b1ed1da4c..01086d1772 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Move.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Move.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MOVE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_MOVE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MoveBackward.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MoveBackward.hpp index c34ab679db..9a28c3fb4a 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MoveBackward.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_MoveBackward.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_MOVE_BACKWARD_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_MOVE_BACKWARD_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_PartitionCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_PartitionCopy.hpp index 508e4baedf..54f7c5b612 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_PartitionCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_PartitionCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_PARTITION_COPY_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_PARTITION_COPY_IMPL_HPP @@ -59,25 +31,6 @@ template struct StdPartitionCopyScalar { ValueType true_count_; ValueType false_count_; - - // Here we implement the copy assignment operators explicitly for consistency - // with how the Scalar structs are implemented inside - // Kokkos_Parallel_Reduce.hpp. - KOKKOS_FUNCTION - void operator=(const StdPartitionCopyScalar& other) { - true_count_ = other.true_count_; - false_count_ = other.false_count_; - } - - // this is needed for - // OpenMPTarget/Kokkos_OpenMPTarget_Parallel.hpp:699:21: error: no viable - // overloaded '=' m_returnvalue = 0; - // - KOKKOS_FUNCTION - void operator=(const ValueType value) { - true_count_ = value; - false_count_ = value; - } }; template ::min()} - : red_value_type{i}; + + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {i}; + if (predicate_value) { + rv = {::Kokkos::reduction_identity::min()}; + } + m_reducer.join(redValue, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RandomAccessIterator.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RandomAccessIterator.hpp index 2457d9400a..5c9854b87d 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RandomAccessIterator.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RandomAccessIterator.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_RANDOM_ACCESS_ITERATOR_IMPL_HPP #define KOKKOS_RANDOM_ACCESS_ITERATOR_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reduce.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reduce.hpp index 26e0795d8b..45a0de3727 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reduce.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reduce.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REDUCE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REDUCE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReducerWithArbitraryJoinerNoNeutralElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReducerWithArbitraryJoinerNoNeutralElement.hpp index d8e383b859..b460982d33 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReducerWithArbitraryJoinerNoNeutralElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReducerWithArbitraryJoinerNoNeutralElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REDUCER_WITH_ARBITRARY_JOINER_NONEUTRAL_ELEMENT_HPP #define KOKKOS_STD_ALGORITHMS_REDUCER_WITH_ARBITRARY_JOINER_NONEUTRAL_ELEMENT_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RemoveAllVariants.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RemoveAllVariants.hpp index 742d4d776a..bda6470199 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RemoveAllVariants.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RemoveAllVariants.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REMOVE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REMOVE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Replace.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Replace.hpp index 877ffa276f..e3a6b538f4 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Replace.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Replace.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopy.hpp index b75dde9cd8..729cf89311 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopyIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopyIf.hpp index 8f7c8140e6..dca7e7f6a5 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopyIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceCopyIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IF_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_COPY_IF_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceIf.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceIf.hpp index 6fe33019c0..54b6e1c528 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceIf.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReplaceIf.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REPLACE_IF_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REPLACE_IF_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reverse.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reverse.hpp index f84eb2c81a..7c75899cb8 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reverse.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Reverse.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REVERSE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REVERSE_IMPL_HPP @@ -67,16 +39,7 @@ struct StdReverseFunctor { KOKKOS_FUNCTION void operator()(index_type i) const { - // the swap below is doing the same thing, but - // for Intel 18.0.5 does not work. - // But putting the impl directly here, it works. -#ifdef KOKKOS_COMPILER_INTEL - typename InputIterator::value_type tmp = std::move(m_first[i]); - m_first[i] = std::move(m_last[-i - 1]); - m_last[-i - 1] = std::move(tmp); -#else ::Kokkos::Experimental::swap(m_first[i], m_last[-i - 1]); -#endif } StdReverseFunctor(InputIterator first, InputIterator last) diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReverseCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReverseCopy.hpp index 88b6ed16b5..6dd52813e0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReverseCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ReverseCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_REVERSE_COPY_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_REVERSE_COPY_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Rotate.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Rotate.hpp index c08cf1aecb..3aa1ab5d40 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Rotate.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Rotate.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ROTATE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_ROTATE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RotateCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RotateCopy.hpp index a8111a511f..28023cc4df 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RotateCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_RotateCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_ROTATE_COPY_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_ROTATE_COPY_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Search.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Search.hpp index 2afb0a74f0..2780151f29 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Search.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Search.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SEARCH_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_SEARCH_IMPL_HPP @@ -88,9 +60,11 @@ struct StdSearchFunctor { } } - const auto rv = - found ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::min()}; + if (found) { + rv = {i}; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SearchN.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SearchN.hpp index cd8b394386..98640136d4 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SearchN.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SearchN.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SEARCH_N_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_SEARCH_N_IMPL_HPP @@ -87,9 +59,11 @@ struct StdSearchNFunctor { } } - const auto rv = - found ? red_value_type{i} - : red_value_type{::Kokkos::reduction_identity::min()}; + // FIXME_NVHPC using a ternary operator causes problems + red_value_type rv = {::Kokkos::reduction_identity::min()}; + if (found) { + rv.min_loc_true = i; + } m_reducer.join(red_value, rv); } diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftLeft.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftLeft.hpp index 796864461f..7a33762f17 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftLeft.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftLeft.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SHIFT_LEFT_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_SHIFT_LEFT_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftRight.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftRight.hpp index 0ffde42ab2..2b0a4bb524 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftRight.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ShiftRight.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SHIFT_RIGHT_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_SHIFT_RIGHT_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SwapRanges.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SwapRanges.hpp index 3e6ca14697..a5e4786d04 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SwapRanges.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_SwapRanges.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_SWAP_RANGES_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_SWAP_RANGES_IMPL_HPP @@ -63,16 +35,7 @@ struct StdSwapRangesFunctor { KOKKOS_FUNCTION void operator()(IndexType i) const { - // the swap below is doing the same thing, but - // for Intel 18.0.5 does not work. - // But putting the impl directly here, it works. -#ifdef KOKKOS_COMPILER_INTEL - typename IteratorType1::value_type tmp = std::move(m_first1[i]); - m_first1[i] = std::move(m_first2[i]); - m_first2[i] = std::move(tmp); -#else ::Kokkos::Experimental::swap(m_first1[i], m_first2[i]); -#endif } KOKKOS_FUNCTION diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Transform.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Transform.hpp index 5d2c0cc982..840e9d2054 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Transform.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Transform.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformExclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformExclusiveScan.hpp index 9fb8cbcc30..3bb337de36 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformExclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformExclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_EXCLUSIVE_SCAN_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_EXCLUSIVE_SCAN_IMPL_HPP @@ -104,6 +76,8 @@ struct TransformExclusiveScanFunctor { KOKKOS_FUNCTION void join(value_type& update, const value_type& input) const { + if (input.is_initial) return; + if (update.is_initial) { update.val = input.val; } else { diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformInclusiveScan.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformInclusiveScan.hpp index 281eb6f8a1..05f8589086 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformInclusiveScan.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformInclusiveScan.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_INCLUSIVE_SCAN_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_INCLUSIVE_SCAN_IMPL_HPP @@ -95,6 +67,8 @@ struct TransformInclusiveScanNoInitValueFunctor { KOKKOS_FUNCTION void join(value_type& update, const value_type& input) const { + if (input.is_initial) return; + if (update.is_initial) { update.val = input.val; } else { @@ -146,6 +120,8 @@ struct TransformInclusiveScanWithInitValueFunctor { KOKKOS_FUNCTION void join(value_type& update, const value_type& input) const { + if (input.is_initial) return; + if (update.is_initial) { update.val = input.val; } else { diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformReduce.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformReduce.hpp index e3a780f485..03771056a2 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformReduce.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_TransformReduce.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_TRANSFORM_REDUCE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_TRANSFORM_REDUCE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Unique.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Unique.hpp index 5e4ea7d792..4bab551563 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Unique.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_Unique.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_UNIQUE_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_UNIQUE_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_UniqueCopy.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_UniqueCopy.hpp index e4fd6f3ed8..d0aa1ed1d0 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_UniqueCopy.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_UniqueCopy.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_UNIQUE_COPY_IMPL_HPP #define KOKKOS_STD_ALGORITHMS_UNIQUE_COPY_IMPL_HPP diff --git a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ValueWrapperForNoNeutralElement.hpp b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ValueWrapperForNoNeutralElement.hpp index da9b6ef9a9..8a73b8e0f1 100644 --- a/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ValueWrapperForNoNeutralElement.hpp +++ b/lib/kokkos/algorithms/src/std_algorithms/impl/Kokkos_ValueWrapperForNoNeutralElement.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_STD_ALGORITHMS_VALUE_WRAPPER_FOR_NO_NEUTRAL_ELEMENT_HPP #define KOKKOS_STD_ALGORITHMS_VALUE_WRAPPER_FOR_NO_NEUTRAL_ELEMENT_HPP @@ -57,12 +29,6 @@ template struct ValueWrapperForNoNeutralElement { Scalar val; bool is_initial = true; - - KOKKOS_FUNCTION - void operator=(const ValueWrapperForNoNeutralElement& rhs) { - val = rhs.val; - is_initial = rhs.is_initial; - } }; } // namespace Impl diff --git a/lib/kokkos/algorithms/unit_tests/CMakeLists.txt b/lib/kokkos/algorithms/unit_tests/CMakeLists.txt index 0c50ff7a08..92d9f072c1 100644 --- a/lib/kokkos/algorithms/unit_tests/CMakeLists.txt +++ b/lib/kokkos/algorithms/unit_tests/CMakeLists.txt @@ -16,28 +16,46 @@ foreach(Tag Threads;Serial;OpenMP;Cuda;HPX;HIP;SYCL;OpenMPTarget) set(dir ${CMAKE_CURRENT_BINARY_DIR}/${dir}) file(MAKE_DIRECTORY ${dir}) - # ------------------------- - # Sort1d,3d, Random - # ------------------------- - set(SOURCES_A) - if(Tag STREQUAL "OpenMP") - LIST(APPEND SOURCES_A - TestOpenMP_Sort1D.cpp - TestOpenMP_Sort3D.cpp - TestOpenMP_SortDynamicView.cpp - ) - endif() - - set(file ${dir}/TestRandomAndSort.cpp) - # Write to a temporary intermediate file and call configure_file to avoid - # updating timestamps triggering unnecessary rebuilds on subsequent cmake runs. - file(WRITE ${dir}/dummy.cpp - "#include \n" - "#include \n" - "#include \n" + # ------------------------------------------ + # Sort + # ------------------------------------------ + # Each of these inputs is an .hpp file. + # Generate a .cpp file for each one that runs it on the current backend (Tag), + # and add this .cpp file to the sources for UnitTest_RandomAndSort. + set(ALGO_SORT_SOURCES) + foreach(SOURCE_Input + TestSort + TestBinSortA + TestBinSortB + TestNestedSort ) - configure_file(${dir}/dummy.cpp ${file}) - list(APPEND SOURCES_A ${file}) + set(file ${dir}/${SOURCE_Input}.cpp) + # Write to a temporary intermediate file and call configure_file to avoid + # updating timestamps triggering unnecessary rebuilds on subsequent cmake runs. + file(WRITE ${dir}/dummy.cpp + "#include \n" + "#include <${SOURCE_Input}.hpp>\n" + ) + configure_file(${dir}/dummy.cpp ${file}) + list(APPEND ALGO_SORT_SOURCES ${file}) + endforeach() + + # ------------------------------------------ + # Random + # ------------------------------------------ + # do as above + set(ALGO_RANDOM_SOURCES) + foreach(SOURCE_Input + TestRandom + ) + set(file ${dir}/${SOURCE_Input}.cpp) + file(WRITE ${dir}/dummy.cpp + "#include \n" + "#include <${SOURCE_Input}.hpp>\n" + ) + configure_file(${dir}/dummy.cpp ${file}) + list(APPEND ALGO_RANDOM_SOURCES ${file}) + endforeach() # ------------------------------------------ # std set A @@ -137,23 +155,55 @@ foreach(Tag Threads;Serial;OpenMP;Cuda;HPX;HIP;SYCL;OpenMPTarget) endif() endforeach() -KOKKOS_ADD_EXECUTABLE_AND_TEST( - UnitTest_RandomAndSort - SOURCES +# FIXME_OPENMPTARGET This test causes internal compiler errors as of 09/01/22 +# when compiling for Intel's Xe-HP GPUs. +# FRIZZI: 04/26/2023: not sure if the compilation error is still applicable +# but we conservatively leave this guard on +if(NOT (KOKKOS_ENABLE_OPENMPTARGET AND KOKKOS_CXX_COMPILER_ID STREQUAL IntelLLVM)) + KOKKOS_ADD_EXECUTABLE_AND_TEST( + UnitTest_Sort + SOURCES UnitTestMain.cpp - ${SOURCES_A} -) + ${ALGO_SORT_SOURCES} + ) + + KOKKOS_ADD_EXECUTABLE_AND_TEST( + UnitTest_Random + SOURCES + UnitTestMain.cpp + ${ALGO_RANDOM_SOURCES} + ) +endif() + +# FIXME_OPENMPTARGET These tests cause internal compiler errors as of 09/01/22 +# when compiling for Intel's Xe-HP GPUs. +if(KOKKOS_ENABLE_OPENMPTARGET AND KOKKOS_CXX_COMPILER_ID STREQUAL IntelLLVM) + list(REMOVE_ITEM STDALGO_SOURCES_D + TestStdAlgorithmsCopyIf.cpp + TestStdAlgorithmsRemoveCopy.cpp + TestStdAlgorithmsUnique.cpp + TestStdAlgorithmsUniqueCopy.cpp + ) + list(REMOVE_ITEM STDALGO_SOURCES_E + TestStdAlgorithmsExclusiveScan.cpp + TestStdAlgorithmsInclusiveScan.cpp + ) +endif() foreach(ID A;B;C;D;E) KOKKOS_ADD_EXECUTABLE_AND_TEST( - UnitTest_StdSet_${ID} + AlgorithmsUnitTest_StdSet_${ID} SOURCES UnitTestMain.cpp ${STDALGO_SOURCES_${ID}} ) endforeach() -KOKKOS_ADD_EXECUTABLE( - UnitTest_StdAlgoCompileOnly - SOURCES TestStdAlgorithmsCompileOnly.cpp -) +# FIXME_OPENMPTARGET This test causes internal compiler errors as of 09/01/22 +# when compiling for Intel's Xe-HP GPUs. +if(NOT (KOKKOS_ENABLE_OPENMPTARGET AND KOKKOS_CXX_COMPILER_ID STREQUAL IntelLLVM)) + KOKKOS_ADD_EXECUTABLE( + AlgorithmsUnitTest_StdAlgoCompileOnly + SOURCES TestStdAlgorithmsCompileOnly.cpp + ) +endif() diff --git a/lib/kokkos/algorithms/unit_tests/Makefile b/lib/kokkos/algorithms/unit_tests/Makefile index e961e7ba2c..9e0f1d60a0 100644 --- a/lib/kokkos/algorithms/unit_tests/Makefile +++ b/lib/kokkos/algorithms/unit_tests/Makefile @@ -27,10 +27,8 @@ TARGETS = tmp := $(foreach device, $(KOKKOS_DEVICELIST), \ $(if $(filter Test$(device).cpp, $(shell ls Test$(device).cpp 2>/dev/null)),,\ - $(shell echo "\#include " > Test$(device).cpp); \ - $(shell echo "\#include " >> Test$(device).cpp); \ - $(shell echo "\#include " >> Test$(device).cpp); \ - ) \ + $(shell echo "\#include " > Test$(device).cpp); \ + ) \ ) ifeq ($(KOKKOS_INTERNAL_USE_CUDA), 1) @@ -52,7 +50,7 @@ ifeq ($(KOKKOS_INTERNAL_USE_THREADS), 1) endif ifeq ($(KOKKOS_INTERNAL_USE_OPENMP), 1) - OBJ_OPENMP = TestOpenMP.o TestOpenMP_Sort1D.o TestOpenMP_Sort3D.o TestOpenMP_SortDynamicView.o UnitTestMain.o gtest-all.o + OBJ_OPENMP = TestOpenMP.o UnitTestMain.o gtest-all.o TARGETS += KokkosAlgorithms_UnitTest_OpenMP TEST_TARGETS += test-openmp endif diff --git a/lib/kokkos/algorithms/unit_tests/TestBinSortA.hpp b/lib/kokkos/algorithms/unit_tests/TestBinSortA.hpp new file mode 100644 index 0000000000..46f6486cdc --- /dev/null +++ b/lib/kokkos/algorithms/unit_tests/TestBinSortA.hpp @@ -0,0 +1,280 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + +#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_BINSORTA_HPP +#define KOKKOS_ALGORITHMS_UNITTESTS_TEST_BINSORTA_HPP + +#include +#include +#include +#include +#include + +namespace Test { +namespace BinSortSetA { + +template +struct bin3d_is_sorted_struct { + using value_type = unsigned int; + using execution_space = ExecutionSpace; + + Kokkos::View keys; + + int max_bins; + Scalar min; + Scalar max; + + bin3d_is_sorted_struct(Kokkos::View keys_, + int max_bins_, Scalar min_, Scalar max_) + : keys(keys_), max_bins(max_bins_), min(min_), max(max_) {} + KOKKOS_INLINE_FUNCTION + void operator()(int i, unsigned int& count) const { + int ix1 = int((keys(i, 0) - min) / max * max_bins); + int iy1 = int((keys(i, 1) - min) / max * max_bins); + int iz1 = int((keys(i, 2) - min) / max * max_bins); + int ix2 = int((keys(i + 1, 0) - min) / max * max_bins); + int iy2 = int((keys(i + 1, 1) - min) / max * max_bins); + int iz2 = int((keys(i + 1, 2) - min) / max * max_bins); + + if (ix1 > ix2) + count++; + else if (ix1 == ix2) { + if (iy1 > iy2) + count++; + else if ((iy1 == iy2) && (iz1 > iz2)) + count++; + } + } +}; + +template +struct sum3D { + using value_type = double; + using execution_space = ExecutionSpace; + + Kokkos::View keys; + + sum3D(Kokkos::View keys_) : keys(keys_) {} + KOKKOS_INLINE_FUNCTION + void operator()(int i, double& count) const { + count += keys(i, 0); + count += keys(i, 1); + count += keys(i, 2); + } +}; + +template +void test_3D_sort_impl(unsigned int n) { + using KeyViewType = Kokkos::View; + + KeyViewType keys("Keys", n * n * n); + + Kokkos::Random_XorShift64_Pool g(1931); + Kokkos::fill_random(keys, g, 100.0); + + double sum_before = 0.0; + double sum_after = 0.0; + unsigned int sort_fails = 0; + + ExecutionSpace exec; + Kokkos::parallel_reduce( + Kokkos::RangePolicy(exec, 0, keys.extent(0)), + sum3D(keys), sum_before); + + int bin_1d = 1; + while (bin_1d * bin_1d * bin_1d * 4 < (int)keys.extent(0)) bin_1d *= 2; + int bin_max[3] = {bin_1d, bin_1d, bin_1d}; + typename KeyViewType::value_type min[3] = {0, 0, 0}; + typename KeyViewType::value_type max[3] = {100, 100, 100}; + + using BinOp = Kokkos::BinOp3D; + BinOp bin_op(bin_max, min, max); + Kokkos::BinSort Sorter(keys, bin_op, false); + Sorter.create_permute_vector(exec); + Sorter.sort(exec, keys); + + Kokkos::parallel_reduce( + Kokkos::RangePolicy(exec, 0, keys.extent(0)), + sum3D(keys), sum_after); + Kokkos::parallel_reduce( + Kokkos::RangePolicy(exec, 0, keys.extent(0) - 1), + bin3d_is_sorted_struct(keys, bin_1d, min[0], + max[0]), + sort_fails); + + double ratio = sum_before / sum_after; + double epsilon = 1e-10; + unsigned int equal_sum = + (ratio > (1.0 - epsilon)) && (ratio < (1.0 + epsilon)) ? 1 : 0; + + if (sort_fails) + printf("3D Sort Sum: %f %f Fails: %u\n", sum_before, sum_after, sort_fails); + + ASSERT_EQ(sort_fails, 0u); + ASSERT_EQ(equal_sum, 1u); +} + +template +void test_issue_1160_impl() { + Kokkos::View element_("element", 10); + Kokkos::View x_("x", 10); + Kokkos::View v_("y", 10); + + auto h_element = Kokkos::create_mirror_view(element_); + auto h_x = Kokkos::create_mirror_view(x_); + auto h_v = Kokkos::create_mirror_view(v_); + + h_element(0) = 9; + h_element(1) = 8; + h_element(2) = 7; + h_element(3) = 6; + h_element(4) = 5; + h_element(5) = 4; + h_element(6) = 3; + h_element(7) = 2; + h_element(8) = 1; + h_element(9) = 0; + + for (int i = 0; i < 10; ++i) { + h_v.access(i, 0) = h_x.access(i, 0) = double(h_element(i)); + } + ExecutionSpace exec; + Kokkos::deep_copy(exec, element_, h_element); + Kokkos::deep_copy(exec, x_, h_x); + Kokkos::deep_copy(exec, v_, h_v); + + using KeyViewType = decltype(element_); + using BinOp = Kokkos::BinOp1D; + + int begin = 3; + int end = 8; + auto max = h_element(begin); + auto min = h_element(end - 1); + BinOp binner(end - begin, min, max); + + Kokkos::BinSort Sorter(element_, begin, end, binner, + false); + Sorter.create_permute_vector(exec); + Sorter.sort(exec, element_, begin, end); + + Sorter.sort(exec, x_, begin, end); + Sorter.sort(exec, v_, begin, end); + + Kokkos::deep_copy(exec, h_element, element_); + Kokkos::deep_copy(exec, h_x, x_); + Kokkos::deep_copy(exec, h_v, v_); + exec.fence(); + + ASSERT_EQ(h_element(0), 9); + ASSERT_EQ(h_element(1), 8); + ASSERT_EQ(h_element(2), 7); + ASSERT_EQ(h_element(3), 2); + ASSERT_EQ(h_element(4), 3); + ASSERT_EQ(h_element(5), 4); + ASSERT_EQ(h_element(6), 5); + ASSERT_EQ(h_element(7), 6); + ASSERT_EQ(h_element(8), 1); + ASSERT_EQ(h_element(9), 0); + + for (int i = 0; i < 10; ++i) { + ASSERT_EQ(h_element(i), int(h_x.access(i, 0))); + ASSERT_EQ(h_element(i), int(h_v.access(i, 0))); + } +} + +template +void test_sort_integer_overflow() { + // FIXME: this test is meant to test something for BinSort, + // but actually uses the kokkos::sort API with the assumption + // that underneath it calls binsort. I don't think this is correct, + // because if the kokkos::sort API chages impl, this test is not testing + // what it meants to test... so need to change this to actually use BinSort + // directly. + + // array with two extrema in reverse order to expose integer overflow bug in + // bin calculation + T a[2] = {Kokkos::Experimental::finite_max::value, + Kokkos::Experimental::finite_min::value}; + auto vd = Kokkos::create_mirror_view_and_copy( + ExecutionSpace(), Kokkos::View(a)); + Kokkos::sort(vd); + auto vh = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), vd); + EXPECT_TRUE(std::is_sorted(vh.data(), vh.data() + 2)) + << "view (" << vh[0] << ", " << vh[1] << ") is not sorted"; +} + +} // namespace BinSortSetA + +TEST(TEST_CATEGORY, BinSortGenericTests) { + using ExecutionSpace = TEST_EXECSPACE; + using key_type = unsigned; + constexpr int N = 171; + +#if defined(KOKKOS_ENABLE_CUDA) && \ + defined(KOKKOS_COMPILER_NVHPC) // FIXME_NVHPC + if (!std::is_same_v) +#endif + BinSortSetA::test_3D_sort_impl(N); + +#if defined(KOKKOS_ENABLE_CUDA) && \ + defined(KOKKOS_COMPILER_NVHPC) // FIXME_NVHPC + if (!std::is_same_v) +#endif + BinSortSetA::test_issue_1160_impl(); + + BinSortSetA::test_sort_integer_overflow(); + BinSortSetA::test_sort_integer_overflow(); + BinSortSetA::test_sort_integer_overflow(); +} + +TEST(TEST_CATEGORY, BinSortEmptyView) { + using ExecutionSpace = TEST_EXECSPACE; + + // the bounds and extents used below are totally arbitrary + // and, in theory, should have no impact + + using KeyViewType = Kokkos::View; + KeyViewType kv("kv", 20); + + using BinOp_t = Kokkos::BinOp1D; + BinOp_t binOp(5, 0, 10); + Kokkos::BinSort Sorter(ExecutionSpace{}, kv, binOp); + + // does not matter if we use int or something else + Kokkos::View v("v", 0); + + // test all exposed public sort methods + ASSERT_NO_THROW(Sorter.sort(ExecutionSpace(), v, 0, 0)); + ASSERT_NO_THROW(Sorter.sort(v, 0, 0)); + ASSERT_NO_THROW(Sorter.sort(ExecutionSpace(), v)); + ASSERT_NO_THROW(Sorter.sort(v)); +} + +TEST(TEST_CATEGORY, BinSortEmptyKeysView) { + using ExecutionSpace = TEST_EXECSPACE; + + using KeyViewType = Kokkos::View; + KeyViewType kv("kv", 0); + + using BinOp_t = Kokkos::BinOp1D; + BinOp_t binOp(5, 0, 10); + Kokkos::BinSort Sorter(ExecutionSpace{}, kv, binOp); + + ASSERT_NO_THROW(Sorter.create_permute_vector(ExecutionSpace{})); +} + +} // namespace Test +#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestBinSortB.hpp b/lib/kokkos/algorithms/unit_tests/TestBinSortB.hpp new file mode 100644 index 0000000000..0707411f59 --- /dev/null +++ b/lib/kokkos/algorithms/unit_tests/TestBinSortB.hpp @@ -0,0 +1,262 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + +#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_BINSORTB_HPP +#define KOKKOS_ALGORITHMS_UNITTESTS_TEST_BINSORTB_HPP + +#include +#include +#include +#include +#include +#include +#include +#include //needed for iota + +namespace Test { +namespace BinSortSetB { + +template +struct CopyFunctorRank2 { + ViewTypeFrom m_view_from; + ViewTypeTo m_view_to; + + CopyFunctorRank2() = delete; + + CopyFunctorRank2(const ViewTypeFrom view_from, const ViewTypeTo view_to) + : m_view_from(view_from), m_view_to(view_to) {} + + KOKKOS_INLINE_FUNCTION + void operator()(int k) const { + const auto i = k / m_view_from.extent(1); + const auto j = k % m_view_from.extent(1); + m_view_to(i, j) = m_view_from(i, j); + } +}; + +template +auto create_deep_copyable_compatible_view_with_same_extent( + Kokkos::View view) { + using view_type = Kokkos::View; + using view_value_type = typename view_type::value_type; + using view_exespace = typename view_type::execution_space; + const std::size_t ext0 = view.extent(0); + using view_deep_copyable_t = Kokkos::View; + return view_deep_copyable_t{"view_dc", ext0}; +} + +template +auto create_deep_copyable_compatible_view_with_same_extent( + Kokkos::View view) { + using view_type = Kokkos::View; + using view_value_type = typename view_type::value_type; + using view_exespace = typename view_type::execution_space; + using view_deep_copyable_t = Kokkos::View; + const std::size_t ext0 = view.extent(0); + const std::size_t ext1 = view.extent(1); + return view_deep_copyable_t{"view_dc", ext0, ext1}; +} + +template +auto create_deep_copyable_compatible_clone(ViewType view) { + static_assert(ViewType::rank <= 2); + + auto view_dc = create_deep_copyable_compatible_view_with_same_extent(view); + using view_dc_t = decltype(view_dc); + if constexpr (ViewType::rank == 1) { + Test::stdalgos::CopyFunctor F1(view, view_dc); + Kokkos::parallel_for("copy", view.extent(0), F1); + } else { + static_assert(ViewType::rank == 2, "Only rank 1 or 2 supported."); + CopyFunctorRank2 F1(view, view_dc); + Kokkos::parallel_for("copy", view.extent(0) * view.extent(1), F1); + } + return view_dc; +} + +template +auto create_host_space_copy(ViewType view) { + auto view_dc = create_deep_copyable_compatible_clone(view); + return create_mirror_view_and_copy(Kokkos::HostSpace(), view_dc); +} + +template +auto create_rank1_dev_and_host_views_of_keys(const ExecutionSpace& exec, + int N) { + namespace KE = Kokkos::Experimental; + Kokkos::DefaultHostExecutionSpace defaultHostExeSpace; + + using KeyViewType = Kokkos::View; + KeyViewType keys("keys", N); + auto keys_h = Kokkos::create_mirror_view(keys); + std::iota(KE::begin(keys_h), KE::end(keys_h), KeyType(0)); + KE::reverse(defaultHostExeSpace, keys_h); + // keys now is = [N-1,N-2,...,2,1,0], shuffle it for avoid trivial case + std::random_device rd; + std::mt19937 g(rd()); + std::shuffle(KE::begin(keys_h), KE::end(keys_h), g); + Kokkos::deep_copy(exec, keys, keys_h); + + return std::make_pair(keys, keys_h); +} + +template = 0> +auto create_strided_view(std::size_t numRows, std::size_t /*numCols*/) { + Kokkos::LayoutStride layout{numRows, 2}; + using v_t = Kokkos::View; + v_t v("v", layout); + return v; +} + +template = 0> +auto create_strided_view(std::size_t numRows, std::size_t numCols) { + Kokkos::LayoutStride layout{numRows, 2, numCols, numRows * 2}; + using v_t = Kokkos::View; + v_t v("v", layout); + return v; +} + +template +void test_on_view_with_stride(std::size_t numRows, std::size_t indB, + std::size_t indE, std::size_t numCols = 1) { + ExecutionSpace exec; + Kokkos::DefaultHostExecutionSpace defaultHostExeSpace; + namespace KE = Kokkos::Experimental; + + // 1. generate 1D view of keys + auto [keys, keys_h] = + create_rank1_dev_and_host_views_of_keys(exec, numRows); + using KeyViewType = decltype(keys); + + // need this map key->row to use later for checking + std::unordered_map keyToRowBeforeSort; + for (std::size_t i = 0; i < numRows; ++i) { + keyToRowBeforeSort[keys_h(i)] = i; + } + + // 2. create binOp + using BinOp = Kokkos::BinOp1D; + auto itB = KE::cbegin(keys_h) + indB; + auto itE = itB + indE - indB; + auto it = KE::minmax_element(defaultHostExeSpace, itB, itE); + // seems like the behavior is odd when we use # buckets = # keys + // so use +5 for using more buckets than keys. + // This is something to investigate. + BinOp binner(indE - indB + 5, *it.first, *it.second); + + // 3. create sorter + Kokkos::BinSort sorter(keys, indB, indE, binner, false); + sorter.create_permute_vector(exec); + sorter.sort(exec, keys, indB, indE); + Kokkos::deep_copy(exec, keys_h, keys); + + auto v = create_strided_view( + numRows, numCols); + + Kokkos::Random_XorShift64_Pool pool(73931); + Kokkos::fill_random(v, pool, ValueType(545)); + auto v_before_sort_h = create_host_space_copy(v); + sorter.sort(exec, v, indB, indE); + auto v_after_sort_h = create_host_space_copy(v); + + for (size_t i = 0; i < v.extent(0); ++i) { + // if i within [indB,indE), the sorting was done + // so we need to do proper checking since rows have changed + if (i >= size_t(indB) && i < size_t(indE)) { + const KeyType key = keys_h(i); + if constexpr (ValuesViewRank == 1) { + ASSERT_TRUE(v_before_sort_h(keyToRowBeforeSort.at(key)) == + v_after_sort_h(i)); + } else { + for (size_t j = 0; j < v.extent(1); ++j) { + ASSERT_TRUE(v_before_sort_h(keyToRowBeforeSort.at(key), j) == + v_after_sort_h(i, j)); + } + } + } + // outside the target bounds, then the i-th row remains unchanged + else { + if constexpr (ValuesViewRank == 1) { + ASSERT_TRUE(v_before_sort_h(i) == v_after_sort_h(i)); + } else { + for (size_t j = 0; j < v.extent(1); ++j) { + ASSERT_TRUE(v_before_sort_h(i, j) == v_after_sort_h(i, j)); + } + } + } + } +} + +template +void run_for_rank1() { + constexpr int rank = 1; + + // trivial case + test_on_view_with_stride(1, 0, 1); + + // nontrivial cases + for (std::size_t N : {311, 710017}) { + // various cases for bounds + test_on_view_with_stride(N, 0, N); + test_on_view_with_stride(N, 3, N); + test_on_view_with_stride(N, 0, + N - 4); + test_on_view_with_stride(N, 4, + N - 3); + } +} + +template +void run_for_rank2() { + constexpr int rank = 2; + + // trivial case + test_on_view_with_stride(1, 0, 1, + 1); + + // nontrivial cases + for (std::size_t Nr : {11, 1157, 710017}) { + for (std::size_t Nc : {3, 51}) { + // various cases for bounds + test_on_view_with_stride( + Nr, 0, Nr, Nc); + test_on_view_with_stride( + Nr, 3, Nr, Nc); + test_on_view_with_stride( + Nr, 0, Nr - 4, Nc); + test_on_view_with_stride( + Nr, 4, Nr - 3, Nc); + } + } +} + +} // namespace BinSortSetB + +TEST(TEST_CATEGORY, BinSortUnsignedKeyLayoutStrideValues) { + using ExeSpace = TEST_EXECSPACE; + using key_type = unsigned; + BinSortSetB::run_for_rank1(); + BinSortSetB::run_for_rank1(); + + BinSortSetB::run_for_rank2(); + BinSortSetB::run_for_rank2(); +} + +} // namespace Test +#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestNestedSort.hpp b/lib/kokkos/algorithms/unit_tests/TestNestedSort.hpp new file mode 100644 index 0000000000..1b7a3f48fc --- /dev/null +++ b/lib/kokkos/algorithms/unit_tests/TestNestedSort.hpp @@ -0,0 +1,412 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + +#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_NESTED_SORT_HPP +#define KOKKOS_ALGORITHMS_UNITTESTS_TEST_NESTED_SORT_HPP + +#include +#include +#include +#include +#include + +namespace Test { +namespace NestedSortImpl { + +// Comparator for sorting in descending order +template +struct GreaterThan { + KOKKOS_FUNCTION constexpr bool operator()(const Key& lhs, + const Key& rhs) const { + return lhs > rhs; + } +}; + +// Functor to test sort_team: each team responsible for sorting one array +template +struct TeamSortFunctor { + using TeamMem = typename Kokkos::TeamPolicy::member_type; + using SizeType = typename KeyViewType::size_type; + using KeyType = typename KeyViewType::non_const_value_type; + TeamSortFunctor(const KeyViewType& keys_, const OffsetViewType& offsets_, + bool sortDescending_) + : keys(keys_), offsets(offsets_), sortDescending(sortDescending_) {} + KOKKOS_INLINE_FUNCTION void operator()(const TeamMem& t) const { + int i = t.league_rank(); + SizeType begin = offsets(i); + SizeType end = offsets(i + 1); + if (sortDescending) + Kokkos::Experimental::sort_team( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + GreaterThan()); + else + Kokkos::Experimental::sort_team( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end))); + } + KeyViewType keys; + OffsetViewType offsets; + bool sortDescending; +}; + +// Functor to test sort_by_key_team: each team responsible for sorting one array +template +struct TeamSortByKeyFunctor { + using TeamMem = typename Kokkos::TeamPolicy::member_type; + using SizeType = typename KeyViewType::size_type; + using KeyType = typename KeyViewType::non_const_value_type; + TeamSortByKeyFunctor(const KeyViewType& keys_, const ValueViewType& values_, + const OffsetViewType& offsets_, bool sortDescending_) + : keys(keys_), + values(values_), + offsets(offsets_), + sortDescending(sortDescending_) {} + KOKKOS_INLINE_FUNCTION void operator()(const TeamMem& t) const { + int i = t.league_rank(); + SizeType begin = offsets(i); + SizeType end = offsets(i + 1); + if (sortDescending) { + Kokkos::Experimental::sort_by_key_team( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + Kokkos::subview(values, Kokkos::make_pair(begin, end)), + GreaterThan()); + } else { + Kokkos::Experimental::sort_by_key_team( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + Kokkos::subview(values, Kokkos::make_pair(begin, end))); + } + } + KeyViewType keys; + ValueViewType values; + OffsetViewType offsets; + bool sortDescending; +}; + +// Functor to test sort_thread: each thread (multiple vector lanes) responsible +// for sorting one array +template +struct ThreadSortFunctor { + using TeamMem = typename Kokkos::TeamPolicy::member_type; + using SizeType = typename KeyViewType::size_type; + using KeyType = typename KeyViewType::non_const_value_type; + ThreadSortFunctor(const KeyViewType& keys_, const OffsetViewType& offsets_, + bool sortDescending_) + : keys(keys_), offsets(offsets_), sortDescending(sortDescending_) {} + KOKKOS_INLINE_FUNCTION void operator()(const TeamMem& t) const { + int i = t.league_rank() * t.team_size() + t.team_rank(); + // Number of arrays to sort doesn't have to be divisible by team size, so + // some threads may be idle. + if (i < offsets.extent_int(0) - 1) { + SizeType begin = offsets(i); + SizeType end = offsets(i + 1); + if (sortDescending) + Kokkos::Experimental::sort_thread( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + GreaterThan()); + else + Kokkos::Experimental::sort_thread( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end))); + } + } + KeyViewType keys; + OffsetViewType offsets; + bool sortDescending; +}; + +// Functor to test sort_by_key_thread +template +struct ThreadSortByKeyFunctor { + using TeamMem = typename Kokkos::TeamPolicy::member_type; + using SizeType = typename KeyViewType::size_type; + using KeyType = typename KeyViewType::non_const_value_type; + ThreadSortByKeyFunctor(const KeyViewType& keys_, const ValueViewType& values_, + const OffsetViewType& offsets_, bool sortDescending_) + : keys(keys_), + values(values_), + offsets(offsets_), + sortDescending(sortDescending_) {} + KOKKOS_INLINE_FUNCTION void operator()(const TeamMem& t) const { + int i = t.league_rank() * t.team_size() + t.team_rank(); + // Number of arrays to sort doesn't have to be divisible by team size, so + // some threads may be idle. + if (i < offsets.extent_int(0) - 1) { + SizeType begin = offsets(i); + SizeType end = offsets(i + 1); + if (sortDescending) { + Kokkos::Experimental::sort_by_key_thread( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + Kokkos::subview(values, Kokkos::make_pair(begin, end)), + GreaterThan()); + } else { + Kokkos::Experimental::sort_by_key_thread( + t, Kokkos::subview(keys, Kokkos::make_pair(begin, end)), + Kokkos::subview(values, Kokkos::make_pair(begin, end))); + } + } + } + KeyViewType keys; + ValueViewType values; + OffsetViewType offsets; + bool sortDescending; +}; + +// Generate the offsets view for a set of n packed arrays, each with uniform +// random length in [0,k]. Array i will occupy the indices [offsets(i), +// offsets(i+1)), like a row in a CRS graph. Returns the total length of all the +// arrays. +template +size_t randomPackedArrayOffsets(unsigned n, unsigned k, + OffsetViewType& offsets) { + offsets = OffsetViewType("Offsets", n + 1); + auto offsetsHost = Kokkos::create_mirror_view(Kokkos::HostSpace(), offsets); + std::mt19937 gen; + std::uniform_int_distribution<> distrib(0, k); + // This will leave offsetsHost(n) == 0. + std::generate(offsetsHost.data(), offsetsHost.data() + n, + [&]() { return distrib(gen); }); + // Exclusive prefix-sum to get offsets + size_t accum = 0; + for (unsigned i = 0; i <= n; i++) { + size_t num = offsetsHost(i); + offsetsHost(i) = accum; + accum += num; + } + Kokkos::deep_copy(offsets, offsetsHost); + return offsetsHost(n); +} + +template +ValueViewType uniformRandomViewFill(size_t totalLength, + typename ValueViewType::value_type minVal, + typename ValueViewType::value_type maxVal) { + ValueViewType vals("vals", totalLength); + Kokkos::Random_XorShift64_Pool g( + 1931); + Kokkos::fill_random(vals, g, minVal, maxVal); + return vals; +} + +template +void test_nested_sort_impl(unsigned narray, unsigned n, bool useTeams, + bool customCompare, KeyType minKey, KeyType maxKey) { + using KeyViewType = Kokkos::View; + using OffsetViewType = Kokkos::View; + using TeamPol = Kokkos::TeamPolicy; + OffsetViewType offsets; + size_t totalLength = randomPackedArrayOffsets(narray, n, offsets); + KeyViewType keys = + uniformRandomViewFill(totalLength, minKey, maxKey); + // note: doing create_mirror because we always want this to be a separate + // copy, even if keys is already host-accessible. keysHost becomes the correct + // result to compare against. + auto keysHost = Kokkos::create_mirror(Kokkos::HostSpace(), keys); + Kokkos::deep_copy(keysHost, keys); + auto offsetsHost = + Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), offsets); + // Sort the same arrays on host to compare against + for (unsigned i = 0; i < narray; i++) { + KeyType* begin = keysHost.data() + offsetsHost(i); + KeyType* end = keysHost.data() + offsetsHost(i + 1); + if (customCompare) + std::sort(begin, end, + [](const KeyType& a, const KeyType& b) { return a > b; }); + else + std::sort(begin, end); + } + if (useTeams) { + int vectorLen = std::min(4, TeamPol::vector_length_max()); + TeamPol policy(narray, Kokkos::AUTO(), vectorLen); + Kokkos::parallel_for( + policy, TeamSortFunctor( + keys, offsets, customCompare)); + } else { + ThreadSortFunctor functor( + keys, offsets, customCompare); + int vectorLen = std::min(4, TeamPol::vector_length_max()); + TeamPol dummy(1, Kokkos::AUTO(), vectorLen); + int teamSize = + dummy.team_size_recommended(functor, Kokkos::ParallelForTag()); + int numTeams = (narray + teamSize - 1) / teamSize; + Kokkos::parallel_for(TeamPol(numTeams, teamSize, vectorLen), functor); + } + auto keysOut = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), keys); + std::string testLabel = useTeams ? "sort_team" : "sort_thread"; + for (unsigned i = 0; i < keys.extent(0); i++) { + EXPECT_EQ(keysOut(i), keysHost(i)) + << testLabel << ": after sorting, key at index " << i + << " is incorrect."; + } +} + +template +void test_nested_sort_by_key_impl(unsigned narray, unsigned n, bool useTeams, + bool customCompare, KeyType minKey, + KeyType maxKey, ValueType minVal, + ValueType maxVal) { + using KeyViewType = Kokkos::View; + using ValueViewType = Kokkos::View; + using OffsetViewType = Kokkos::View; + using TeamPol = Kokkos::TeamPolicy; + OffsetViewType offsets; + size_t totalLength = randomPackedArrayOffsets(narray, n, offsets); + KeyViewType keys = + uniformRandomViewFill(totalLength, minKey, maxKey); + ValueViewType values = + uniformRandomViewFill(totalLength, minVal, maxVal); + // note: doing create_mirror because we always want this to be a separate + // copy, even if keys/vals are already host-accessible. keysHost and valsHost + // becomes the correct result to compare against. + auto keysHost = Kokkos::create_mirror(Kokkos::HostSpace(), keys); + auto valuesHost = Kokkos::create_mirror(Kokkos::HostSpace(), values); + Kokkos::deep_copy(keysHost, keys); + Kokkos::deep_copy(valuesHost, values); + auto offsetsHost = + Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), offsets); + // Sort the same arrays on host to compare against + for (unsigned i = 0; i < narray; i++) { + // std:: doesn't have a sort_by_key, so sort a vector of key-value pairs + // instead + using KV = std::pair; + std::vector keysAndValues(offsetsHost(i + 1) - offsetsHost(i)); + for (unsigned j = 0; j < keysAndValues.size(); j++) { + keysAndValues[j].first = keysHost(offsetsHost(i) + j); + keysAndValues[j].second = valuesHost(offsetsHost(i) + j); + } + if (customCompare) { + std::sort(keysAndValues.begin(), keysAndValues.end(), + [](const KV& a, const KV& b) { return a.first > b.first; }); + } else { + std::sort(keysAndValues.begin(), keysAndValues.end(), + [](const KV& a, const KV& b) { return a.first < b.first; }); + } + // Copy back from pairs to views + for (unsigned j = 0; j < keysAndValues.size(); j++) { + keysHost(offsetsHost(i) + j) = keysAndValues[j].first; + valuesHost(offsetsHost(i) + j) = keysAndValues[j].second; + } + } + if (useTeams) { + int vectorLen = std::min(4, TeamPol::vector_length_max()); + TeamPol policy(narray, Kokkos::AUTO(), vectorLen); + Kokkos::parallel_for( + policy, TeamSortByKeyFunctor(keys, values, offsets, + customCompare)); + } else { + ThreadSortByKeyFunctor + functor(keys, values, offsets, customCompare); + int vectorLen = std::min(4, TeamPol::vector_length_max()); + TeamPol dummy(1, Kokkos::AUTO(), vectorLen); + int teamSize = + dummy.team_size_recommended(functor, Kokkos::ParallelForTag()); + int numTeams = (narray + teamSize - 1) / teamSize; + Kokkos::parallel_for(TeamPol(numTeams, teamSize, vectorLen), functor); + } + auto keysOut = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), keys); + auto valuesOut = + Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), values); + std::string testLabel = useTeams ? "sort_by_key_team" : "sort_by_key_thread"; + // First, compare keys since they will always match exactly + for (unsigned i = 0; i < keys.extent(0); i++) { + EXPECT_EQ(keysOut(i), keysHost(i)) + << testLabel << ": after sorting, key at index " << i + << " is incorrect."; + } + // Kokkos::sort_by_key_X is not stable, so if a key happens to + // appear more than once, the order of the values may not match exactly. + // But the set of values for a given key should be identical. + unsigned keyStart = 0; + while (keyStart < keys.extent(0)) { + KeyType key = keysHost(keyStart); + unsigned keyEnd = keyStart + 1; + while (keyEnd < keys.extent(0) && keysHost(keyEnd) == key) keyEnd++; + std::unordered_multiset correctVals; + std::unordered_multiset outputVals; + for (unsigned i = keyStart; i < keyEnd; i++) { + correctVals.insert(valuesHost(i)); + outputVals.insert(valuesOut(i)); + } + // Check one value at a time that they match + for (auto it = correctVals.begin(); it != correctVals.end(); it++) { + ValueType val = *it; + EXPECT_TRUE(outputVals.find(val) != outputVals.end()) + << testLabel << ": after sorting, value " << val + << " corresponding to key " << key << " is missing."; + EXPECT_EQ(correctVals.count(val), outputVals.count(val)) + << testLabel << ": after sorting, the number of occurences of value " + << val << " corresponding to key " << key << " changed."; + } + keyStart = keyEnd; + } +} + +template +void test_nested_sort(unsigned int N, KeyType minKey, KeyType maxKey) { + // 2nd arg: true = team-level, false = thread-level. + // 3rd arg: true = custom comparator, false = default comparator. + test_nested_sort_impl(N, N, true, false, minKey, + maxKey); + test_nested_sort_impl(N, N, true, true, minKey, + maxKey); + test_nested_sort_impl(N, N, false, false, minKey, + maxKey); + test_nested_sort_impl(N, N, false, true, minKey, + maxKey); +} + +template +void test_nested_sort_by_key(unsigned int N, KeyType minKey, KeyType maxKey, + ValueType minVal, ValueType maxVal) { + // 2nd arg: true = team-level, false = thread-level. + // 3rd arg: true = custom comparator, false = default comparator. + test_nested_sort_by_key_impl( + N, N, true, false, minKey, maxKey, minVal, maxVal); + test_nested_sort_by_key_impl( + N, N, true, true, minKey, maxKey, minVal, maxVal); + test_nested_sort_by_key_impl( + N, N, false, false, minKey, maxKey, minVal, maxVal); + test_nested_sort_by_key_impl( + N, N, false, true, minKey, maxKey, minVal, maxVal); +} +} // namespace NestedSortImpl + +TEST(TEST_CATEGORY, NestedSort) { + using ExecutionSpace = TEST_EXECSPACE; + NestedSortImpl::test_nested_sort(171, 0U, UINT_MAX); + NestedSortImpl::test_nested_sort(42, -1e6f, 1e6f); + NestedSortImpl::test_nested_sort(67, CHAR_MIN, + CHAR_MAX); +} + +TEST(TEST_CATEGORY, NestedSortByKey) { + using ExecutionSpace = TEST_EXECSPACE; + + // Second/third template arguments are key and value respectively. + // In sort_by_key_X functions, a key view and a value view are both permuted + // to make the keys sorted. This means that the value type doesn't need to be + // ordered, unlike key + NestedSortImpl::test_nested_sort_by_key( + 161, 0U, UINT_MAX, 0U, UINT_MAX); + NestedSortImpl::test_nested_sort_by_key( + 267, -1e6f, 1e6f, CHAR_MIN, CHAR_MAX); + NestedSortImpl::test_nested_sort_by_key( + 11, CHAR_MIN, CHAR_MAX, 2.718, 3.14); +} + +} // namespace Test +#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort1D.cpp b/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort1D.cpp deleted file mode 100644 index 4a5839f0c8..0000000000 --- a/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort1D.cpp +++ /dev/null @@ -1,67 +0,0 @@ -/* -//@HEADER -// ************************************************************************ -// -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering -// Solutions of Sandia, LLC (NTESS). -// -// Under the terms of Contract DE-NA0003525 with NTESS, -// the U.S. Government retains certain rights in this software. -// -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: -// -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ -//@HEADER -*/ - -#include -#ifdef KOKKOS_ENABLE_OPENMP - -#include -#include - -//---------------------------------------------------------------------------- -#include -#include -#include - -namespace Test { - -TEST(openmp, SortUnsigned1D) { - Impl::test_1D_sort(171); -} - -TEST(openmp, SortIssue1160) { Impl::test_issue_1160_sort(); } - -} // namespace Test -#else -void KOKKOS_ALGORITHMS_UNITTESTS_TESTOPENMP_PREVENT_LINK_ERROR() {} -#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort3D.cpp b/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort3D.cpp deleted file mode 100644 index 127d911d7c..0000000000 --- a/lib/kokkos/algorithms/unit_tests/TestOpenMP_Sort3D.cpp +++ /dev/null @@ -1,65 +0,0 @@ -/* -//@HEADER -// ************************************************************************ -// -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering -// Solutions of Sandia, LLC (NTESS). -// -// Under the terms of Contract DE-NA0003525 with NTESS, -// the U.S. Government retains certain rights in this software. -// -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: -// -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ -//@HEADER -*/ - -#include -#ifdef KOKKOS_ENABLE_OPENMP - -#include -#include - -//---------------------------------------------------------------------------- -#include -#include -#include - -namespace Test { - -TEST(openmp, SortUnsigned3D) { - Impl::test_3D_sort(171); -} - -} // namespace Test -#else -void KOKKOS_ALGORITHMS_UNITTESTS_TESTOPENMP_PREVENT_LINK_ERROR() {} -#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestOpenMP_SortDynamicView.cpp b/lib/kokkos/algorithms/unit_tests/TestOpenMP_SortDynamicView.cpp deleted file mode 100644 index 3dc8854044..0000000000 --- a/lib/kokkos/algorithms/unit_tests/TestOpenMP_SortDynamicView.cpp +++ /dev/null @@ -1,65 +0,0 @@ -/* -//@HEADER -// ************************************************************************ -// -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering -// Solutions of Sandia, LLC (NTESS). -// -// Under the terms of Contract DE-NA0003525 with NTESS, -// the U.S. Government retains certain rights in this software. -// -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: -// -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ -//@HEADER -*/ - -#include -#ifdef KOKKOS_ENABLE_OPENMP - -#include -#include - -//---------------------------------------------------------------------------- -#include -#include -#include - -namespace Test { - -TEST(openmp, SortUnsignedDynamicView) { - Impl::test_dynamic_view_sort(171); -} - -} // namespace Test -#else -void KOKKOS_ALGORITHMS_UNITTESTS_TESTOPENMP_PREVENT_LINK_ERROR() {} -#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestRandom.hpp b/lib/kokkos/algorithms/unit_tests/TestRandom.hpp index 19c82003cf..e9dc3327a6 100644 --- a/lib/kokkos/algorithms/unit_tests/TestRandom.hpp +++ b/lib/kokkos/algorithms/unit_tests/TestRandom.hpp @@ -1,47 +1,21 @@ //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -#ifndef KOKKOS_TEST_DUALVIEW_HPP -#define KOKKOS_TEST_DUALVIEW_HPP +#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_RANDOM_HPP +#define KOKKOS_ALGORITHMS_UNITTESTS_TEST_RANDOM_HPP #include #include @@ -55,8 +29,7 @@ #include namespace Test { - -namespace Impl { +namespace AlgoRandomImpl { // This test runs the random number generators and uses some statistic tests to // check the 'goodness' of the random numbers: @@ -189,50 +162,10 @@ struct test_random_functor { static_cast(1.0 * HIST_DIM3D * tmp2 / theMax); const uint64_t ind3_3d = static_cast(1.0 * HIST_DIM3D * tmp3 / theMax); -// Workaround Intel 17 compiler bug which sometimes add random -// instruction alignment which makes the lock instruction -// illegal. Seems to be mostly just for unsigned int atomics. -// Looking at the assembly the compiler -// appears to insert cache line alignment for the instruction. -// Isn't restricted to specific archs. Seen it on SNB and SKX, but for -// different code. Another occurrence was with Desul atomics in -// a different unit test. This one here happens without desul atomics. -// Inserting an assembly nop instruction changes the alignment and -// works round this. -// -// 17.0.4 for 64bit Random works with 1/1/1/2/1 -// 17.0.4 for 1024bit Random works with 1/1/1/1/1 -#ifdef KOKKOS_COMPILER_INTEL -#if (KOKKOS_COMPILER_INTEL < 1800) - asm volatile("nop\n"); -#endif -#endif atomic_fetch_add(&density_1d(ind1_1d), 1); -#ifdef KOKKOS_COMPILER_INTEL -#if (KOKKOS_COMPILER_INTEL < 1800) - asm volatile("nop\n"); -#endif -#endif atomic_fetch_add(&density_1d(ind2_1d), 1); -#ifdef KOKKOS_COMPILER_INTEL -#if (KOKKOS_COMPILER_INTEL < 1800) - asm volatile("nop\n"); -#endif -#endif atomic_fetch_add(&density_1d(ind3_1d), 1); -#ifdef KOKKOS_COMPILER_INTEL -#if (KOKKOS_COMPILER_INTEL < 1800) - if (std::is_same>::value) - asm volatile("nop\n"); - asm volatile("nop\n"); -#endif -#endif atomic_fetch_add(&density_3d(ind1_3d, ind2_3d, ind3_3d), 1); -#ifdef KOKKOS_COMPILER_INTEL -#if (KOKKOS_COMPILER_INTEL < 1800) - asm volatile("nop\n"); -#endif -#endif } rand_pool.free_state(rand_gen); } @@ -535,42 +468,46 @@ struct TestDynRankView { ASSERT_LE(val.max_val, max); } }; -} // namespace Impl -template -void test_random_xorshift64() { +} // namespace AlgoRandomImpl + +TEST(TEST_CATEGORY, Random_XorShift64) { + using ExecutionSpace = TEST_EXECSPACE; + #if defined(KOKKOS_ENABLE_SYCL) || defined(KOKKOS_ENABLE_CUDA) || \ defined(KOKKOS_ENABLE_HIP) const int num_draws = 132141141; #else // SERIAL, HPX, OPENMP const int num_draws = 10240000; #endif - Impl::test_random>(num_draws); - Impl::test_random>( + num_draws); + AlgoRandomImpl::test_random>>( num_draws); - Impl::TestDynRankView>(10000) + AlgoRandomImpl::TestDynRankView< + ExecutionSpace, Kokkos::Random_XorShift64_Pool>(10000) .run(); } -template -void test_random_xorshift1024() { +TEST(TEST_CATEGORY, Random_XorShift1024_0) { + using ExecutionSpace = TEST_EXECSPACE; + #if defined(KOKKOS_ENABLE_SYCL) || defined(KOKKOS_ENABLE_CUDA) || \ defined(KOKKOS_ENABLE_HIP) const int num_draws = 52428813; #else // SERIAL, HPX, OPENMP const int num_draws = 10130144; #endif - Impl::test_random>( + AlgoRandomImpl::test_random>( num_draws); - Impl::test_random>>( num_draws); - Impl::TestDynRankView>(10000) + AlgoRandomImpl::TestDynRankView< + ExecutionSpace, Kokkos::Random_XorShift1024_Pool>(10000) .run(); } -} // namespace Test -#endif // KOKKOS_TEST_UNORDERED_MAP_HPP +} // namespace Test +#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestRandomAccessIterator.cpp b/lib/kokkos/algorithms/unit_tests/TestRandomAccessIterator.cpp index 5136ad434b..fd3a875b1e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestRandomAccessIterator.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestRandomAccessIterator.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -82,7 +54,7 @@ void test_random_access_it_verify(IteratorType it, ValueType gold_value) { Kokkos::parallel_for("_std_algo_copy", 1, cf); auto v_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), checkView); - EXPECT_EQ(v_h(), gold_value); + ASSERT_EQ(v_h(), gold_value); } TEST_F(random_access_iterator_test, dereference) { @@ -124,9 +96,9 @@ void test_random_access_it_subscript_op_verify(IteratorType it) { auto v_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), checkView); - EXPECT_EQ(v_h(0), (value_t)0); - EXPECT_EQ(v_h(1), (value_t)1); - EXPECT_EQ(v_h(2), (value_t)2); + ASSERT_EQ(v_h(0), (value_t)0); + ASSERT_EQ(v_h(1), (value_t)1); + ASSERT_EQ(v_h(2), (value_t)2); } TEST_F(random_access_iterator_test, subscript_operator) { @@ -216,9 +188,9 @@ TEST_F(random_access_iterator_test, operatorsSet4) { auto it7 = KE::Impl::RandomAccessIterator(m_static_view, 3); auto it8 = KE::Impl::RandomAccessIterator(m_dynamic_view, 3); auto it9 = KE::Impl::RandomAccessIterator(m_strided_view, 3); - EXPECT_EQ(it1, it7); - EXPECT_EQ(it2, it8); - EXPECT_EQ(it3, it9); + ASSERT_EQ(it1, it7); + ASSERT_EQ(it2, it8); + ASSERT_EQ(it3, it9); EXPECT_GE(it1, it7); EXPECT_GE(it2, it8); EXPECT_GE(it3, it9); @@ -233,16 +205,16 @@ TEST_F(random_access_iterator_test, assignment_operator) { EXPECT_NE(it1, it2); it2 = it1; - EXPECT_EQ(it1, it2); + ASSERT_EQ(it1, it2); } TEST_F(random_access_iterator_test, distance) { auto first = KE::begin(m_dynamic_view); auto last = KE::end(m_dynamic_view); - EXPECT_EQ(0, KE::distance(first, first)); - EXPECT_EQ(1, KE::distance(first, first + 1)); - EXPECT_EQ(m_dynamic_view.extent(0), size_t(KE::distance(first, last))); + ASSERT_EQ(0, KE::distance(first, first)); + ASSERT_EQ(1, KE::distance(first, first + 1)); + ASSERT_EQ(m_dynamic_view.extent(0), size_t(KE::distance(first, last))); } } // namespace stdalgos diff --git a/lib/kokkos/algorithms/unit_tests/TestSort.hpp b/lib/kokkos/algorithms/unit_tests/TestSort.hpp index 120a04bdb5..968fb8950b 100644 --- a/lib/kokkos/algorithms/unit_tests/TestSort.hpp +++ b/lib/kokkos/algorithms/unit_tests/TestSort.hpp @@ -1,47 +1,21 @@ //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TESTSORT_HPP -#define KOKKOS_ALGORITHMS_UNITTESTS_TESTSORT_HPP +#ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_SORT_HPP +#define KOKKOS_ALGORITHMS_UNITTESTS_TEST_SORT_HPP #include #include @@ -50,8 +24,7 @@ #include namespace Test { - -namespace Impl { +namespace SortImpl { template struct is_sorted_struct { @@ -79,70 +52,15 @@ struct sum { void operator()(int i, double& count) const { count += keys(i); } }; -template -struct bin3d_is_sorted_struct { - using value_type = unsigned int; - using execution_space = ExecutionSpace; - - Kokkos::View keys; - - int max_bins; - Scalar min; - Scalar max; - - bin3d_is_sorted_struct(Kokkos::View keys_, - int max_bins_, Scalar min_, Scalar max_) - : keys(keys_), max_bins(max_bins_), min(min_), max(max_) {} - KOKKOS_INLINE_FUNCTION - void operator()(int i, unsigned int& count) const { - int ix1 = int((keys(i, 0) - min) / max * max_bins); - int iy1 = int((keys(i, 1) - min) / max * max_bins); - int iz1 = int((keys(i, 2) - min) / max * max_bins); - int ix2 = int((keys(i + 1, 0) - min) / max * max_bins); - int iy2 = int((keys(i + 1, 1) - min) / max * max_bins); - int iz2 = int((keys(i + 1, 2) - min) / max * max_bins); - - if (ix1 > ix2) - count++; - else if (ix1 == ix2) { - if (iy1 > iy2) - count++; - else if ((iy1 == iy2) && (iz1 > iz2)) - count++; - } - } -}; - -template -struct sum3D { - using value_type = double; - using execution_space = ExecutionSpace; - - Kokkos::View keys; - - sum3D(Kokkos::View keys_) : keys(keys_) {} - KOKKOS_INLINE_FUNCTION - void operator()(int i, double& count) const { - count += keys(i, 0); - count += keys(i, 1); - count += keys(i, 2); - } -}; - template -void test_1D_sort_impl(unsigned int n, bool force_kokkos) { +void test_1D_sort_impl(unsigned int n) { using KeyViewType = Kokkos::View; KeyViewType keys("Keys", n); // Test sorting array with all numbers equal ExecutionSpace exec; Kokkos::deep_copy(exec, keys, KeyType(1)); -#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_3 - Kokkos::sort(exec, keys, force_kokkos); -#else - (void)force_kokkos; // suppress warnings about unused variable Kokkos::sort(exec, keys); -#endif Kokkos::Random_XorShift64_Pool g(1931); Kokkos::fill_random(keys, g, @@ -156,11 +74,7 @@ void test_1D_sort_impl(unsigned int n, bool force_kokkos) { Kokkos::parallel_reduce(Kokkos::RangePolicy(exec, 0, n), sum(keys), sum_before); -#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_3 - Kokkos::sort(exec, keys, force_kokkos); -#else Kokkos::sort(exec, keys); -#endif Kokkos::parallel_reduce(Kokkos::RangePolicy(exec, 0, n), sum(keys), sum_after); @@ -177,57 +91,6 @@ void test_1D_sort_impl(unsigned int n, bool force_kokkos) { ASSERT_EQ(equal_sum, 1u); } -template -void test_3D_sort_impl(unsigned int n) { - using KeyViewType = Kokkos::View; - - KeyViewType keys("Keys", n * n * n); - - Kokkos::Random_XorShift64_Pool g(1931); - Kokkos::fill_random(keys, g, 100.0); - - double sum_before = 0.0; - double sum_after = 0.0; - unsigned int sort_fails = 0; - - ExecutionSpace exec; - Kokkos::parallel_reduce( - Kokkos::RangePolicy(exec, 0, keys.extent(0)), - sum3D(keys), sum_before); - - int bin_1d = 1; - while (bin_1d * bin_1d * bin_1d * 4 < (int)keys.extent(0)) bin_1d *= 2; - int bin_max[3] = {bin_1d, bin_1d, bin_1d}; - typename KeyViewType::value_type min[3] = {0, 0, 0}; - typename KeyViewType::value_type max[3] = {100, 100, 100}; - - using BinOp = Kokkos::BinOp3D; - BinOp bin_op(bin_max, min, max); - Kokkos::BinSort Sorter(keys, bin_op, false); - Sorter.create_permute_vector(exec); - Sorter.sort(exec, keys); - - Kokkos::parallel_reduce( - Kokkos::RangePolicy(exec, 0, keys.extent(0)), - sum3D(keys), sum_after); - Kokkos::parallel_reduce( - Kokkos::RangePolicy(exec, 0, keys.extent(0) - 1), - bin3d_is_sorted_struct(keys, bin_1d, min[0], - max[0]), - sort_fails); - - double ratio = sum_before / sum_after; - double epsilon = 1e-10; - unsigned int equal_sum = - (ratio > (1.0 - epsilon)) && (ratio < (1.0 + epsilon)) ? 1 : 0; - - if (sort_fails) - printf("3D Sort Sum: %f %f Fails: %u\n", sum_before, sum_after, sort_fails); - - ASSERT_EQ(sort_fails, 0u); - ASSERT_EQ(equal_sum, 1u); -} - //---------------------------------------------------------------------------- template @@ -294,74 +157,6 @@ void test_dynamic_view_sort_impl(unsigned int n) { //---------------------------------------------------------------------------- -template -void test_issue_1160_impl() { - Kokkos::View element_("element", 10); - Kokkos::View x_("x", 10); - Kokkos::View v_("y", 10); - - auto h_element = Kokkos::create_mirror_view(element_); - auto h_x = Kokkos::create_mirror_view(x_); - auto h_v = Kokkos::create_mirror_view(v_); - - h_element(0) = 9; - h_element(1) = 8; - h_element(2) = 7; - h_element(3) = 6; - h_element(4) = 5; - h_element(5) = 4; - h_element(6) = 3; - h_element(7) = 2; - h_element(8) = 1; - h_element(9) = 0; - - for (int i = 0; i < 10; ++i) { - h_v.access(i, 0) = h_x.access(i, 0) = double(h_element(i)); - } - ExecutionSpace exec; - Kokkos::deep_copy(exec, element_, h_element); - Kokkos::deep_copy(exec, x_, h_x); - Kokkos::deep_copy(exec, v_, h_v); - - using KeyViewType = decltype(element_); - using BinOp = Kokkos::BinOp1D; - - int begin = 3; - int end = 8; - auto max = h_element(begin); - auto min = h_element(end - 1); - BinOp binner(end - begin, min, max); - - Kokkos::BinSort Sorter(element_, begin, end, binner, - false); - Sorter.create_permute_vector(exec); - Sorter.sort(exec, element_, begin, end); - - Sorter.sort(exec, x_, begin, end); - Sorter.sort(exec, v_, begin, end); - - Kokkos::deep_copy(exec, h_element, element_); - Kokkos::deep_copy(exec, h_x, x_); - Kokkos::deep_copy(exec, h_v, v_); - exec.fence(); - - ASSERT_EQ(h_element(0), 9); - ASSERT_EQ(h_element(1), 8); - ASSERT_EQ(h_element(2), 7); - ASSERT_EQ(h_element(3), 2); - ASSERT_EQ(h_element(4), 3); - ASSERT_EQ(h_element(5), 4); - ASSERT_EQ(h_element(6), 5); - ASSERT_EQ(h_element(7), 6); - ASSERT_EQ(h_element(8), 1); - ASSERT_EQ(h_element(9), 0); - - for (int i = 0; i < 10; ++i) { - ASSERT_EQ(h_element(i), int(h_x.access(i, 0))); - ASSERT_EQ(h_element(i), int(h_v.access(i, 0))); - } -} - template void test_issue_4978_impl() { Kokkos::View element_("element", 9); @@ -411,50 +206,33 @@ void test_sort_integer_overflow() { << "view (" << vh[0] << ", " << vh[1] << ") is not sorted"; } -//---------------------------------------------------------------------------- +} // namespace SortImpl -template -void test_1D_sort(unsigned int N) { - test_1D_sort_impl(N * N * N, true); -#ifdef KOKKOS_ENABLE_DEPRECATED_CODE_3 - test_1D_sort_impl(N * N * N, false); -#endif -} +TEST(TEST_CATEGORY, SortUnsignedValueType) { + using ExecutionSpace = TEST_EXECSPACE; + using key_type = unsigned; + constexpr int N = 171; -template -void test_3D_sort(unsigned int N) { - test_3D_sort_impl(N); -} + SortImpl::test_1D_sort_impl(N * N * N); -template -void test_dynamic_view_sort(unsigned int N) { - test_dynamic_view_sort_impl(N * N); -} - -template -void test_issue_1160_sort() { - test_issue_1160_impl(); -} - -template -void test_issue_4978_sort() { - test_issue_4978_impl(); -} - -template -void test_sort(unsigned int N) { - test_1D_sort(N); - test_3D_sort(N); -// FIXME_OPENMPTARGET: OpenMPTarget doesn't support DynamicView yet. #ifndef KOKKOS_ENABLE_OPENMPTARGET - test_dynamic_view_sort(N); + // FIXME_OPENMPTARGET: OpenMPTarget doesn't support DynamicView yet. + SortImpl::test_dynamic_view_sort_impl(N * N); #endif - test_issue_1160_sort(); - test_issue_4978_sort(); - test_sort_integer_overflow(); - test_sort_integer_overflow(); - test_sort_integer_overflow(); + + SortImpl::test_issue_4978_impl(); } -} // namespace Impl + +TEST(TEST_CATEGORY, SortEmptyView) { + using ExecutionSpace = TEST_EXECSPACE; + + // does not matter if we use int or something else + Kokkos::View v("v", 0); + + // TODO check the synchronous behavior of the calls below + ASSERT_NO_THROW(Kokkos::sort(ExecutionSpace(), v)); + ASSERT_NO_THROW(Kokkos::sort(v)); +} + } // namespace Test -#endif /* KOKKOS_ALGORITHMS_UNITTESTS_TESTSORT_HPP */ +#endif diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentDifference.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentDifference.cpp index d37f657f57..75ad533f6e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentDifference.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentDifference.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -185,7 +157,7 @@ void verify_data(TestViewType test_view, GoldViewType gold) { const auto gold_h = create_mirror_view_and_copy(Kokkos::HostSpace(), gold); for (std::size_t i = 0; i < test_view.extent(0); ++i) { - EXPECT_EQ(gold_h(i), test_view_dc_h(i)); + ASSERT_EQ(gold_h(i), test_view_dc_h(i)); } } @@ -225,7 +197,7 @@ void run_single_scenario(const InfoType& scenario_info, auto res1 = KE::adjacent_difference(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); - EXPECT_EQ(res1, KE::end(view_dest)); + ASSERT_EQ(res1, KE::end(view_dest)); verify_data(view_dest, gold); } @@ -235,7 +207,7 @@ void run_single_scenario(const InfoType& scenario_info, auto res2 = KE::adjacent_difference( "label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); - EXPECT_EQ(res2, KE::end(view_dest)); + ASSERT_EQ(res2, KE::end(view_dest)); verify_data(view_dest, gold); } @@ -244,7 +216,7 @@ void run_single_scenario(const InfoType& scenario_info, create_view(Tag{}, view_ext, "adj_diff_dest_view"); auto res3 = KE::adjacent_difference(exespace(), view_from, view_dest, args...); - EXPECT_EQ(res3, KE::end(view_dest)); + ASSERT_EQ(res3, KE::end(view_dest)); verify_data(view_dest, gold); } @@ -253,7 +225,7 @@ void run_single_scenario(const InfoType& scenario_info, create_view(Tag{}, view_ext, "adj_diff_dest_view"); auto res4 = KE::adjacent_difference("label", exespace(), view_from, view_dest, args...); - EXPECT_EQ(res4, KE::end(view_dest)); + ASSERT_EQ(res4, KE::end(view_dest)); verify_data(view_dest, gold); } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentFind.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentFind.cpp index 874748193e..fa4ff48dbe 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentFind.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAdjacentFind.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -257,7 +229,7 @@ void verify(DiffType my_diff, ViewType view, Args... args) { my_std_adjacent_find(KE::cbegin(view_h), KE::cend(view_h), args...); const auto std_diff = std_r - KE::cbegin(view_h); - EXPECT_EQ(my_diff, std_diff); + ASSERT_EQ(my_diff, std_diff); } template diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAllAnyNoneOf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAllAnyNoneOf.cpp index a1307d4c23..cccc0f6c18 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAllAnyNoneOf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsAllAnyNoneOf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.cpp index 871cce155b..39a508bb8f 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.hpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.hpp index a06f9c61c0..5b30b9eda7 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.hpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCommon.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_STD_ALGOS_COMMON_HPP #define KOKKOS_ALGORITHMS_UNITTESTS_TEST_STD_ALGOS_COMMON_HPP @@ -138,7 +110,7 @@ verify_values(ValueType expected, const ViewType view) { "Non-matching value types of view and reference value"); auto view_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), view); for (std::size_t i = 0; i < view_h.extent(0); i++) { - EXPECT_EQ(expected, view_h(i)); + ASSERT_EQ(expected, view_h(i)); } } @@ -158,7 +130,7 @@ verify_values(ValueType expected, const ViewType view) { auto view_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), tmpView); for (std::size_t i = 0; i < view_h.extent(0); i++) { - EXPECT_EQ(expected, view_h(i)); + ASSERT_EQ(expected, view_h(i)); } } @@ -175,7 +147,7 @@ compare_views(ViewType1 expected, const ViewType2 actual) { Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), actual); for (std::size_t i = 0; i < expected_h.extent(0); i++) { - EXPECT_EQ(expected_h(i), actual_h(i)); + ASSERT_EQ(expected_h(i), actual_h(i)); } } @@ -199,7 +171,7 @@ compare_views(ViewType1 expected, const ViewType2 actual) { Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), expected); for (std::size_t i = 0; i < expected_h.extent(0); i++) { - EXPECT_EQ(expected_h(i), actual_h(i)); + ASSERT_EQ(expected_h(i), actual_h(i)); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCompileOnly.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCompileOnly.cpp index 037dac36ed..9324db12f2 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCompileOnly.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCompileOnly.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -123,18 +95,20 @@ struct TrivialTransformReduceBinaryTransformer { } }; -// put all code here and don't call from main -// so that even if one runs the executable, -// nothing is run anyway +namespace KE = Kokkos::Experimental; -namespace KE = Kokkos::Experimental; -using count_type = std::size_t; -using T = double; -Kokkos::View in1("in1", 10); -Kokkos::View in2("in2", 10); -Kokkos::View in3("in3", 10); -Kokkos::DefaultExecutionSpace exe_space; -std::string const label = "trivial"; +struct TestStruct { + // put all code here and don't call from main + // so that even if one runs the executable, + // nothing is run anyway + + using count_type = std::size_t; + using T = double; + Kokkos::View in1 = Kokkos::View("in1", 10); + Kokkos::View in2 = Kokkos::View("in2", 10); + Kokkos::View in3 = Kokkos::View("in3", 10); + Kokkos::DefaultExecutionSpace exe_space; + std::string const label = "trivial"; // // just iterators @@ -239,293 +213,299 @@ std::string const label = "trivial"; (void)KE::ALGO(exe_space, /*--*/ in1, ARG, in2); \ (void)KE::ALGO(label, exe_space, in1, ARG, in2); -void non_modifying_seq_ops() { - TEST_ALGO_MACRO_B1E1_VARIAD(find, T{}); - TEST_ALGO_MACRO_V1_VARIAD(find, T{}); + void non_modifying_seq_ops() { + TEST_ALGO_MACRO_B1E1_VARIAD(find, T{}); + TEST_ALGO_MACRO_V1_VARIAD(find, T{}); - TEST_ALGO_MACRO_B1E1_VARIAD(find_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(find_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(find_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(find_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(find_if_not, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(find_if_not, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(find_if_not, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(find_if_not, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(for_each, TimesTwoFunctor()); - TEST_ALGO_MACRO_V1_VARIAD(for_each, TimesTwoFunctor()); + TEST_ALGO_MACRO_B1E1_VARIAD(for_each, TimesTwoFunctor()); + TEST_ALGO_MACRO_V1_VARIAD(for_each, TimesTwoFunctor()); - TEST_ALGO_MACRO_B1_VARIAD(for_each_n, count_type{}, TimesTwoFunctor()); - TEST_ALGO_MACRO_V1_VARIAD(for_each_n, count_type{}, TimesTwoFunctor()); + TEST_ALGO_MACRO_B1_VARIAD(for_each_n, count_type{}, TimesTwoFunctor()); + TEST_ALGO_MACRO_V1_VARIAD(for_each_n, count_type{}, TimesTwoFunctor()); - TEST_ALGO_MACRO_B1E1_VARIAD(count_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(count_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(count_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(count_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(count, T{}); - TEST_ALGO_MACRO_V1_VARIAD(count, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(count, T{}); + TEST_ALGO_MACRO_V1_VARIAD(count, T{}); - TEST_ALGO_MACRO_B1E1B2E2(mismatch); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(mismatch, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_V1V2(mismatch); - TEST_ALGO_MACRO_V1V2_VARIAD(mismatch, TrivialBinaryPredicate()); + TEST_ALGO_MACRO_B1E1B2E2(mismatch); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(mismatch, TrivialBinaryPredicate()); + TEST_ALGO_MACRO_V1V2(mismatch); + TEST_ALGO_MACRO_V1V2_VARIAD(mismatch, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(all_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(all_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(all_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(all_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(any_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(any_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(any_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(any_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(none_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(none_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1_VARIAD(none_of, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(none_of, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1B2(equal); - TEST_ALGO_MACRO_B1E1B2_VARIAD(equal, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_V1V2(equal); - TEST_ALGO_MACRO_V1V2_VARIAD(equal, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_B1E1B2E2(equal); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(equal, TrivialBinaryPredicate()); + TEST_ALGO_MACRO_B1E1B2(equal); + TEST_ALGO_MACRO_B1E1B2_VARIAD(equal, TrivialBinaryPredicate()); + TEST_ALGO_MACRO_V1V2(equal); + TEST_ALGO_MACRO_V1V2_VARIAD(equal, TrivialBinaryPredicate()); + TEST_ALGO_MACRO_B1E1B2E2(equal); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(equal, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_B1E1B2E2(lexicographical_compare); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(lexicographical_compare, - TrivialComparator()); - TEST_ALGO_MACRO_V1V2(lexicographical_compare); - TEST_ALGO_MACRO_V1V2_VARIAD(lexicographical_compare, TrivialComparator()); + TEST_ALGO_MACRO_B1E1B2E2(lexicographical_compare); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(lexicographical_compare, + TrivialComparator()); + TEST_ALGO_MACRO_V1V2(lexicographical_compare); + TEST_ALGO_MACRO_V1V2_VARIAD(lexicographical_compare, + TrivialComparator()); - TEST_ALGO_MACRO_B1E1(adjacent_find); - TEST_ALGO_MACRO_V1(adjacent_find); - TEST_ALGO_MACRO_B1E1_VARIAD(adjacent_find, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1_VARIAD(adjacent_find, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_B1E1(adjacent_find); + TEST_ALGO_MACRO_V1(adjacent_find); + TEST_ALGO_MACRO_B1E1_VARIAD(adjacent_find, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1_VARIAD(adjacent_find, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1B2E2(search); - TEST_ALGO_MACRO_V1V2(search); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(search, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(search, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_B1E1B2E2(search); + TEST_ALGO_MACRO_V1V2(search); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(search, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(search, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1B2E2(find_first_of); - TEST_ALGO_MACRO_V1V2(find_first_of); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(find_first_of, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(find_first_of, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_B1E1B2E2(find_first_of); + TEST_ALGO_MACRO_V1V2(find_first_of); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(find_first_of, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(find_first_of, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1_VARIAD(search_n, count_type{}, T{}); - TEST_ALGO_MACRO_V1_VARIAD(search_n, count_type{}, T{}); - TEST_ALGO_MACRO_B1E1_VARIAD(search_n, count_type{}, T{}, + TEST_ALGO_MACRO_B1E1_VARIAD(search_n, count_type{}, T{}); + TEST_ALGO_MACRO_V1_VARIAD(search_n, count_type{}, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(search_n, count_type{}, T{}, + TrivialBinaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(search_n, count_type{}, T{}, TrivialBinaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(search_n, count_type{}, T{}, - TrivialBinaryPredicate()); - TEST_ALGO_MACRO_B1E1B2E2(find_end); - TEST_ALGO_MACRO_V1V2(find_end); - TEST_ALGO_MACRO_B1E1B2E2_VARIAD(find_end, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(find_end, TrivialBinaryFunctor()); -} + TEST_ALGO_MACRO_B1E1B2E2(find_end); + TEST_ALGO_MACRO_V1V2(find_end); + TEST_ALGO_MACRO_B1E1B2E2_VARIAD(find_end, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(find_end, TrivialBinaryFunctor()); + } -void modifying_seq_ops() { - TEST_ALGO_MACRO_B1E1B2_VARIAD(replace_copy, T{}, T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(replace_copy, T{}, T{}); + void modifying_seq_ops() { + TEST_ALGO_MACRO_B1E1B2_VARIAD(replace_copy, T{}, T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(replace_copy, T{}, T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(replace_copy_if, TrivialUnaryPredicate(), + TEST_ALGO_MACRO_B1E1B2_VARIAD(replace_copy_if, TrivialUnaryPredicate(), + T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(replace_copy_if, TrivialUnaryPredicate(), T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(replace_copy_if, TrivialUnaryPredicate(), T{}); - TEST_ALGO_MACRO_B1E1_VARIAD(replace, T{}, T{}); - TEST_ALGO_MACRO_V1_VARIAD(replace, T{}, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(replace, T{}, T{}); + TEST_ALGO_MACRO_V1_VARIAD(replace, T{}, T{}); - TEST_ALGO_MACRO_B1E1_VARIAD(replace_if, TrivialUnaryPredicate(), T{}); - TEST_ALGO_MACRO_V1_VARIAD(replace_if, TrivialUnaryPredicate(), T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(replace_if, TrivialUnaryPredicate(), T{}); + TEST_ALGO_MACRO_V1_VARIAD(replace_if, TrivialUnaryPredicate(), T{}); - TEST_ALGO_MACRO_B1E1B2(copy); - TEST_ALGO_MACRO_V1V2(copy); + TEST_ALGO_MACRO_B1E1B2(copy); + TEST_ALGO_MACRO_V1V2(copy); - TEST_ALGO_MACRO_B1_ARG_B2(copy_n, count_type{}); - TEST_ALGO_MACRO_V1_ARG_V2(copy_n, count_type{}); + TEST_ALGO_MACRO_B1_ARG_B2(copy_n, count_type{}); + TEST_ALGO_MACRO_V1_ARG_V2(copy_n, count_type{}); - TEST_ALGO_MACRO_B1E1B2(copy_backward); - TEST_ALGO_MACRO_V1V2(copy_backward); + TEST_ALGO_MACRO_B1E1B2(copy_backward); + TEST_ALGO_MACRO_V1V2(copy_backward); - TEST_ALGO_MACRO_B1E1B2_VARIAD(copy_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1V2_VARIAD(copy_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1B2_VARIAD(copy_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1V2_VARIAD(copy_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(fill, T{}); - TEST_ALGO_MACRO_V1_VARIAD(fill, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(fill, T{}); + TEST_ALGO_MACRO_V1_VARIAD(fill, T{}); - TEST_ALGO_MACRO_B1_VARIAD(fill_n, count_type{}, T{}); - TEST_ALGO_MACRO_V1_VARIAD(fill_n, count_type{}, T{}); + TEST_ALGO_MACRO_B1_VARIAD(fill_n, count_type{}, T{}); + TEST_ALGO_MACRO_V1_VARIAD(fill_n, count_type{}, T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform, TrivialUnaryFunctor{}); - TEST_ALGO_MACRO_V1V2_VARIAD(transform, TrivialUnaryFunctor{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform, TrivialUnaryFunctor{}); + TEST_ALGO_MACRO_V1V2_VARIAD(transform, TrivialUnaryFunctor{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform, TrivialUnaryFunctor{}); - TEST_ALGO_MACRO_B1E1B2B3_VARIAD(transform, TrivialBinaryFunctor{}); - TEST_ALGO_MACRO_V1V2_VARIAD(transform, TrivialUnaryFunctor{}); - TEST_ALGO_MACRO_V1V2V3_VARIAD(transform, TrivialBinaryFunctor{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform, TrivialUnaryFunctor{}); + TEST_ALGO_MACRO_B1E1B2B3_VARIAD(transform, TrivialBinaryFunctor{}); + TEST_ALGO_MACRO_V1V2_VARIAD(transform, TrivialUnaryFunctor{}); + TEST_ALGO_MACRO_V1V2V3_VARIAD(transform, TrivialBinaryFunctor{}); - TEST_ALGO_MACRO_B1E1_VARIAD(generate, TrivialGenerator{}); - TEST_ALGO_MACRO_V1_VARIAD(generate, TrivialGenerator{}); + TEST_ALGO_MACRO_B1E1_VARIAD(generate, TrivialGenerator{}); + TEST_ALGO_MACRO_V1_VARIAD(generate, TrivialGenerator{}); - TEST_ALGO_MACRO_B1_VARIAD(generate_n, count_type{}, TrivialGenerator{}); - TEST_ALGO_MACRO_V1_VARIAD(generate_n, count_type{}, TrivialGenerator{}); + TEST_ALGO_MACRO_B1_VARIAD(generate_n, count_type{}, TrivialGenerator{}); + TEST_ALGO_MACRO_V1_VARIAD(generate_n, count_type{}, TrivialGenerator{}); - TEST_ALGO_MACRO_B1E1B2(reverse_copy); - TEST_ALGO_MACRO_V1V2(reverse_copy); + TEST_ALGO_MACRO_B1E1B2(reverse_copy); + TEST_ALGO_MACRO_V1V2(reverse_copy); - TEST_ALGO_MACRO_B1E1(reverse); - TEST_ALGO_MACRO_V1(reverse); + TEST_ALGO_MACRO_B1E1(reverse); + TEST_ALGO_MACRO_V1(reverse); - TEST_ALGO_MACRO_B1E1B2(move); - TEST_ALGO_MACRO_V1V2(move); + TEST_ALGO_MACRO_B1E1B2(move); + TEST_ALGO_MACRO_V1V2(move); - TEST_ALGO_MACRO_B1E1E2(move_backward); - TEST_ALGO_MACRO_V1V2(move_backward); + TEST_ALGO_MACRO_B1E1E2(move_backward); + TEST_ALGO_MACRO_V1V2(move_backward); - TEST_ALGO_MACRO_B1E1B2(swap_ranges); - TEST_ALGO_MACRO_V1V2(swap_ranges); + TEST_ALGO_MACRO_B1E1B2(swap_ranges); + TEST_ALGO_MACRO_V1V2(swap_ranges); - TEST_ALGO_MACRO_B1E1(unique); - TEST_ALGO_MACRO_V1(unique); - TEST_ALGO_MACRO_B1E1_VARIAD(unique, TrivialBinaryPredicate{}); - TEST_ALGO_MACRO_V1_VARIAD(unique, TrivialBinaryPredicate{}); + TEST_ALGO_MACRO_B1E1(unique); + TEST_ALGO_MACRO_V1(unique); + TEST_ALGO_MACRO_B1E1_VARIAD(unique, TrivialBinaryPredicate{}); + TEST_ALGO_MACRO_V1_VARIAD(unique, TrivialBinaryPredicate{}); - TEST_ALGO_MACRO_B1E1B2(unique_copy); - TEST_ALGO_MACRO_V1V2(unique_copy); - TEST_ALGO_MACRO_B1E1B2_VARIAD(unique_copy, TrivialBinaryPredicate{}); - TEST_ALGO_MACRO_V1V2_VARIAD(unique_copy, TrivialBinaryPredicate{}); + TEST_ALGO_MACRO_B1E1B2(unique_copy); + TEST_ALGO_MACRO_V1V2(unique_copy); + TEST_ALGO_MACRO_B1E1B2_VARIAD(unique_copy, TrivialBinaryPredicate{}); + TEST_ALGO_MACRO_V1V2_VARIAD(unique_copy, TrivialBinaryPredicate{}); - TEST_ALGO_MACRO_B1E1E2(rotate); - TEST_ALGO_MACRO_V1_VARIAD(rotate, count_type{}); + TEST_ALGO_MACRO_B1E1E2(rotate); + TEST_ALGO_MACRO_V1_VARIAD(rotate, count_type{}); - TEST_ALGO_MACRO_B1E1E1B2(rotate_copy); - TEST_ALGO_MACRO_V1_ARG_V2(rotate_copy, count_type{}); + TEST_ALGO_MACRO_B1E1E1B2(rotate_copy); + TEST_ALGO_MACRO_V1_ARG_V2(rotate_copy, count_type{}); - TEST_ALGO_MACRO_B1E1_VARIAD(remove_if, TrivialUnaryPredicate{}); - TEST_ALGO_MACRO_V1_VARIAD(remove_if, TrivialUnaryPredicate{}); + TEST_ALGO_MACRO_B1E1_VARIAD(remove_if, TrivialUnaryPredicate{}); + TEST_ALGO_MACRO_V1_VARIAD(remove_if, TrivialUnaryPredicate{}); - TEST_ALGO_MACRO_B1E1_VARIAD(remove, T{}); - TEST_ALGO_MACRO_V1_VARIAD(remove, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(remove, T{}); + TEST_ALGO_MACRO_V1_VARIAD(remove, T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(remove_copy, T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(remove_copy, T{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(remove_copy, T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(remove_copy, T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(remove_copy_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1V2_VARIAD(remove_copy_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1B2_VARIAD(remove_copy_if, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1V2_VARIAD(remove_copy_if, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(shift_left, count_type{}); - TEST_ALGO_MACRO_V1_VARIAD(shift_left, count_type{}); + TEST_ALGO_MACRO_B1E1_VARIAD(shift_left, count_type{}); + TEST_ALGO_MACRO_V1_VARIAD(shift_left, count_type{}); - TEST_ALGO_MACRO_B1E1_VARIAD(shift_right, count_type{}); - TEST_ALGO_MACRO_V1_VARIAD(shift_right, count_type{}); -} + TEST_ALGO_MACRO_B1E1_VARIAD(shift_right, count_type{}); + TEST_ALGO_MACRO_V1_VARIAD(shift_right, count_type{}); + } -void sorting_ops() { - TEST_ALGO_MACRO_B1E1(is_sorted_until); - TEST_ALGO_MACRO_V1(is_sorted_until); + void sorting_ops() { + TEST_ALGO_MACRO_B1E1(is_sorted_until); + TEST_ALGO_MACRO_V1(is_sorted_until); #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1_VARIAD(is_sorted_until, TrivialComparator()); - TEST_ALGO_MACRO_V1_VARIAD(is_sorted_until, TrivialComparator()); + TEST_ALGO_MACRO_B1E1_VARIAD(is_sorted_until, TrivialComparator()); + TEST_ALGO_MACRO_V1_VARIAD(is_sorted_until, TrivialComparator()); #endif - TEST_ALGO_MACRO_B1E1(is_sorted); - TEST_ALGO_MACRO_V1(is_sorted); + TEST_ALGO_MACRO_B1E1(is_sorted); + TEST_ALGO_MACRO_V1(is_sorted); #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1_VARIAD(is_sorted, TrivialComparator()); - TEST_ALGO_MACRO_V1_VARIAD(is_sorted, TrivialComparator()); + TEST_ALGO_MACRO_B1E1_VARIAD(is_sorted, TrivialComparator()); + TEST_ALGO_MACRO_V1_VARIAD(is_sorted, TrivialComparator()); #endif -} + } -void minmax_ops() { - TEST_ALGO_MACRO_B1E1(min_element); - TEST_ALGO_MACRO_V1(min_element); - TEST_ALGO_MACRO_B1E1(max_element); - TEST_ALGO_MACRO_V1(max_element); - TEST_ALGO_MACRO_B1E1(minmax_element); - TEST_ALGO_MACRO_V1(minmax_element); + void minmax_ops() { + TEST_ALGO_MACRO_B1E1(min_element); + TEST_ALGO_MACRO_V1(min_element); + TEST_ALGO_MACRO_B1E1(max_element); + TEST_ALGO_MACRO_V1(max_element); + TEST_ALGO_MACRO_B1E1(minmax_element); + TEST_ALGO_MACRO_V1(minmax_element); #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1_VARIAD(min_element, TrivialComparator()); - TEST_ALGO_MACRO_V1_VARIAD(min_element, TrivialComparator()); - TEST_ALGO_MACRO_B1E1_VARIAD(max_element, TrivialComparator()); - TEST_ALGO_MACRO_V1_VARIAD(max_element, TrivialComparator()); - TEST_ALGO_MACRO_B1E1_VARIAD(minmax_element, TrivialComparator()); - TEST_ALGO_MACRO_V1_VARIAD(minmax_element, TrivialComparator()); + TEST_ALGO_MACRO_B1E1_VARIAD(min_element, TrivialComparator()); + TEST_ALGO_MACRO_V1_VARIAD(min_element, TrivialComparator()); + TEST_ALGO_MACRO_B1E1_VARIAD(max_element, TrivialComparator()); + TEST_ALGO_MACRO_V1_VARIAD(max_element, TrivialComparator()); + TEST_ALGO_MACRO_B1E1_VARIAD(minmax_element, TrivialComparator()); + TEST_ALGO_MACRO_V1_VARIAD(minmax_element, TrivialComparator()); #endif -} + } -void partitionig_ops() { - TEST_ALGO_MACRO_B1E1_VARIAD(is_partitioned, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(is_partitioned, TrivialUnaryPredicate()); + void partitionig_ops() { + TEST_ALGO_MACRO_B1E1_VARIAD(is_partitioned, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(is_partitioned, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1B2B3_VARIAD(partition_copy, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1V2V3_VARIAD(partition_copy, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_B1E1B2B3_VARIAD(partition_copy, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1V2V3_VARIAD(partition_copy, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_B1E1_VARIAD(partition_point, TrivialUnaryPredicate()); - TEST_ALGO_MACRO_V1_VARIAD(partition_point, TrivialUnaryPredicate()); -} + TEST_ALGO_MACRO_B1E1_VARIAD(partition_point, TrivialUnaryPredicate()); + TEST_ALGO_MACRO_V1_VARIAD(partition_point, TrivialUnaryPredicate()); + } -void numeric() { - TEST_ALGO_MACRO_B1E1B2(adjacent_difference); - TEST_ALGO_MACRO_B1E1B2_VARIAD(adjacent_difference, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2(adjacent_difference); - TEST_ALGO_MACRO_V1V2_VARIAD(adjacent_difference, TrivialBinaryFunctor()); + void numeric() { + TEST_ALGO_MACRO_B1E1B2(adjacent_difference); + TEST_ALGO_MACRO_B1E1B2_VARIAD(adjacent_difference, + TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2(adjacent_difference); + TEST_ALGO_MACRO_V1V2_VARIAD(adjacent_difference, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1B2_VARIAD(exclusive_scan, T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(exclusive_scan, T{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(exclusive_scan, T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(exclusive_scan, T{}); #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1B2_VARIAD(exclusive_scan, T{}, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(exclusive_scan, T{}, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_B1E1B2_VARIAD(exclusive_scan, T{}, + TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(exclusive_scan, T{}, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_exclusive_scan, T{}, + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_exclusive_scan, T{}, + TrivialBinaryFunctor(), + TrivialUnaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(transform_exclusive_scan, T{}, TrivialBinaryFunctor(), TrivialUnaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(transform_exclusive_scan, T{}, - TrivialBinaryFunctor(), - TrivialUnaryFunctor()); #endif - TEST_ALGO_MACRO_B1E1B2(inclusive_scan); - TEST_ALGO_MACRO_V1V2(inclusive_scan); + TEST_ALGO_MACRO_B1E1B2(inclusive_scan); + TEST_ALGO_MACRO_V1V2(inclusive_scan); #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1B2_VARIAD(inclusive_scan, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(inclusive_scan, TrivialBinaryFunctor()); - TEST_ALGO_MACRO_B1E1B2_VARIAD(inclusive_scan, TrivialBinaryFunctor(), T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(inclusive_scan, TrivialBinaryFunctor(), T{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(inclusive_scan, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(inclusive_scan, TrivialBinaryFunctor()); + TEST_ALGO_MACRO_B1E1B2_VARIAD(inclusive_scan, TrivialBinaryFunctor(), + T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(inclusive_scan, TrivialBinaryFunctor(), T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_inclusive_scan, + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_inclusive_scan, + TrivialBinaryFunctor(), + TrivialUnaryFunctor()); + TEST_ALGO_MACRO_V1V2_VARIAD(transform_inclusive_scan, TrivialBinaryFunctor(), TrivialUnaryFunctor()); - TEST_ALGO_MACRO_V1V2_VARIAD(transform_inclusive_scan, - TrivialBinaryFunctor(), - TrivialUnaryFunctor()); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_inclusive_scan, + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_inclusive_scan, + TrivialBinaryFunctor(), + TrivialUnaryFunctor(), T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(transform_inclusive_scan, TrivialBinaryFunctor(), TrivialUnaryFunctor(), T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(transform_inclusive_scan, - TrivialBinaryFunctor(), - TrivialUnaryFunctor(), T{}); #endif #ifndef KOKKOS_ENABLE_OPENMPTARGET - TEST_ALGO_MACRO_B1E1(reduce); - TEST_ALGO_MACRO_V1(reduce); - TEST_ALGO_MACRO_B1E1_VARIAD(reduce, T{}); - TEST_ALGO_MACRO_V1_VARIAD(reduce, T{}); - TEST_ALGO_MACRO_B1E1_VARIAD(reduce, T{}, TrivialReduceJoinFunctor()); - TEST_ALGO_MACRO_V1_VARIAD(reduce, T{}, TrivialReduceJoinFunctor()); + TEST_ALGO_MACRO_B1E1(reduce); + TEST_ALGO_MACRO_V1(reduce); + TEST_ALGO_MACRO_B1E1_VARIAD(reduce, T{}); + TEST_ALGO_MACRO_V1_VARIAD(reduce, T{}); + TEST_ALGO_MACRO_B1E1_VARIAD(reduce, T{}, TrivialReduceJoinFunctor()); + TEST_ALGO_MACRO_V1_VARIAD(reduce, T{}, TrivialReduceJoinFunctor()); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_reduce, T{}); - TEST_ALGO_MACRO_V1V2_VARIAD(transform_reduce, T{}); - TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_reduce, T{}, + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_reduce, T{}); + TEST_ALGO_MACRO_V1V2_VARIAD(transform_reduce, T{}); + TEST_ALGO_MACRO_B1E1B2_VARIAD(transform_reduce, T{}, + TrivialReduceJoinFunctor(), + TrivialTransformReduceBinaryTransformer()); + TEST_ALGO_MACRO_V1V2_VARIAD(transform_reduce, T{}, TrivialReduceJoinFunctor(), TrivialTransformReduceBinaryTransformer()); - TEST_ALGO_MACRO_V1V2_VARIAD(transform_reduce, T{}, - TrivialReduceJoinFunctor(), - TrivialTransformReduceBinaryTransformer()); - TEST_ALGO_MACRO_B1E1_VARIAD(transform_reduce, T{}, + TEST_ALGO_MACRO_B1E1_VARIAD(transform_reduce, T{}, + TrivialReduceJoinFunctor(), + TrivialTransformReduceUnaryTransformer()); + TEST_ALGO_MACRO_V1_VARIAD(transform_reduce, T{}, TrivialReduceJoinFunctor(), TrivialTransformReduceUnaryTransformer()); - TEST_ALGO_MACRO_V1_VARIAD(transform_reduce, T{}, - TrivialReduceJoinFunctor(), - TrivialTransformReduceUnaryTransformer()); #endif -} + } +}; } // namespace compileonly } // namespace stdalgos diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsConstraints.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsConstraints.cpp index 3eb13c98c4..386d533f7a 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsConstraints.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsConstraints.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -70,8 +42,8 @@ TEST(std_algorithms, is_admissible_to_std_algorithms) { using strided_view_1d_t = Kokkos::View; Kokkos::LayoutStride layout1d{extent0, 2}; strided_view_1d_t strided_view_1d{"std-algo-test-1d-strided-view", layout1d}; - EXPECT_EQ(layout1d.dimension[0], 13u); - EXPECT_EQ(layout1d.stride[0], 2u); + ASSERT_EQ(layout1d.dimension[0], 13u); + ASSERT_EQ(layout1d.stride[0], 2u); // they are admissible KE::Impl::static_assert_is_admissible_to_kokkos_std_algorithms( static_view_1d); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCopyIf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCopyIf.cpp index d5758e2438..5778e37be0 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCopyIf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCopyIf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -163,49 +135,49 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, } else if (name == "one-element-a") { - EXPECT_EQ(view_test_h(0), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(0)); } else if (name == "one-element-b") { - EXPECT_EQ(view_test_h(0), static_cast(2)); + ASSERT_EQ(view_test_h(0), static_cast(2)); } else if (name == "two-elements-a") { - EXPECT_EQ(view_test_h(0), static_cast(2)); - EXPECT_EQ(view_test_h(1), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(2)); + ASSERT_EQ(view_test_h(1), static_cast(0)); } else if (name == "two-elements-b") { - EXPECT_EQ(view_test_h(0), static_cast(2)); - EXPECT_EQ(view_test_h(1), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(2)); + ASSERT_EQ(view_test_h(1), static_cast(0)); } else if (name == "small-a") { - EXPECT_EQ(view_test_h(0), static_cast(-4)); - EXPECT_EQ(view_test_h(1), static_cast(-2)); - EXPECT_EQ(view_test_h(2), static_cast(0)); - EXPECT_EQ(view_test_h(3), static_cast(2)); - EXPECT_EQ(view_test_h(4), static_cast(4)); - EXPECT_EQ(view_test_h(5), static_cast(0)); - EXPECT_EQ(view_test_h(6), static_cast(0)); - EXPECT_EQ(view_test_h(7), static_cast(0)); - EXPECT_EQ(view_test_h(8), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(-4)); + ASSERT_EQ(view_test_h(1), static_cast(-2)); + ASSERT_EQ(view_test_h(2), static_cast(0)); + ASSERT_EQ(view_test_h(3), static_cast(2)); + ASSERT_EQ(view_test_h(4), static_cast(4)); + ASSERT_EQ(view_test_h(5), static_cast(0)); + ASSERT_EQ(view_test_h(6), static_cast(0)); + ASSERT_EQ(view_test_h(7), static_cast(0)); + ASSERT_EQ(view_test_h(8), static_cast(0)); } else if (name == "small-b") { - EXPECT_EQ(view_test_h(0), static_cast(22)); - EXPECT_EQ(view_test_h(1), static_cast(-12)); - EXPECT_EQ(view_test_h(2), static_cast(22)); - EXPECT_EQ(view_test_h(3), static_cast(-12)); - EXPECT_EQ(view_test_h(4), static_cast(22)); - EXPECT_EQ(view_test_h(5), static_cast(-12)); - EXPECT_EQ(view_test_h(6), static_cast(22)); - EXPECT_EQ(view_test_h(7), static_cast(-12)); - EXPECT_EQ(view_test_h(8), static_cast(22)); - EXPECT_EQ(view_test_h(9), static_cast(-12)); - EXPECT_EQ(view_test_h(10), static_cast(22)); - EXPECT_EQ(view_test_h(11), static_cast(-12)); - EXPECT_EQ(view_test_h(12), static_cast(22)); + ASSERT_EQ(view_test_h(0), static_cast(22)); + ASSERT_EQ(view_test_h(1), static_cast(-12)); + ASSERT_EQ(view_test_h(2), static_cast(22)); + ASSERT_EQ(view_test_h(3), static_cast(-12)); + ASSERT_EQ(view_test_h(4), static_cast(22)); + ASSERT_EQ(view_test_h(5), static_cast(-12)); + ASSERT_EQ(view_test_h(6), static_cast(22)); + ASSERT_EQ(view_test_h(7), static_cast(-12)); + ASSERT_EQ(view_test_h(8), static_cast(22)); + ASSERT_EQ(view_test_h(9), static_cast(-12)); + ASSERT_EQ(view_test_h(10), static_cast(22)); + ASSERT_EQ(view_test_h(11), static_cast(-12)); + ASSERT_EQ(view_test_h(12), static_cast(22)); } else if (name == "medium" || name == "large") { @@ -218,14 +190,14 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, std::size_t count = 0; for (std::size_t i = 0; i < view_from_h.extent(0); ++i) { if (pred(view_from_h(i))) { - EXPECT_EQ(view_test_h(count), view_from_h(i)); + ASSERT_EQ(view_test_h(count), view_from_h(i)); count++; } } // all other entries of test view should be zero for (; count < view_test_h.extent(0); ++count) { // std::cout << count << '\n'; - EXPECT_EQ(view_test_h(count), value_type(0)); + ASSERT_EQ(view_test_h(count), value_type(0)); } } @@ -254,7 +226,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::copy_if(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), pred); verify_data(name, view_from, view_dest, pred); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -263,7 +235,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::copy_if("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), pred); verify_data(name, view_from, view_dest, pred); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -271,7 +243,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto view_dest = create_view(Tag{}, view_ext, "copy_if_dest"); auto rit = KE::copy_if(exespace(), view_from, view_dest, pred); verify_data(name, view_from, view_dest, pred); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -279,7 +251,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto view_dest = create_view(Tag{}, view_ext, "copy_if_dest"); auto rit = KE::copy_if("label", exespace(), view_from, view_dest, pred); verify_data(name, view_from, view_dest, pred); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCount.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCount.cpp index 4c92a99059..32e9883709 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCount.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsCount.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -63,13 +35,13 @@ void test_count(const ViewType view) { const value_t count_value = 0; const auto std_result = std::count(KE::cbegin(expected), KE::cend(expected), count_value); - EXPECT_EQ(view.extent(0), size_t(std_result)); + ASSERT_EQ(view.extent(0), size_t(std_result)); // pass const iterators - EXPECT_EQ(std_result, KE::count(exespace(), KE::cbegin(view), + ASSERT_EQ(std_result, KE::count(exespace(), KE::cbegin(view), KE::cend(view), count_value)); // pass view - EXPECT_EQ(std_result, KE::count(exespace(), view, count_value)); + ASSERT_EQ(std_result, KE::count(exespace(), view, count_value)); } { @@ -78,10 +50,10 @@ void test_count(const ViewType view) { std::count(KE::cbegin(expected), KE::cend(expected), count_value); // pass iterators - EXPECT_EQ(std_result, KE::count("label", exespace(), KE::begin(view), + ASSERT_EQ(std_result, KE::count("label", exespace(), KE::begin(view), KE::end(view), count_value)); // pass view - EXPECT_EQ(std_result, KE::count("label", exespace(), view, count_value)); + ASSERT_EQ(std_result, KE::count("label", exespace(), view, count_value)); } } @@ -95,24 +67,24 @@ void test_count_if(const ViewType view) { // no positive elements (all zeroes) const auto predicate = IsPositiveFunctor(); - EXPECT_EQ(0, + ASSERT_EQ(0, std::count_if(KE::begin(expected), KE::end(expected), predicate)); // pass iterators - EXPECT_EQ( + ASSERT_EQ( 0, KE::count_if(exespace(), KE::begin(view), KE::end(view), predicate)); // pass view - EXPECT_EQ(0, KE::count_if(exespace(), view, predicate)); + ASSERT_EQ(0, KE::count_if(exespace(), view, predicate)); fill_views_inc(view, expected); const auto std_result = std::count_if(KE::begin(expected), KE::end(expected), predicate); // pass const iterators - EXPECT_EQ(std_result, KE::count_if("label", exespace(), KE::cbegin(view), + ASSERT_EQ(std_result, KE::count_if("label", exespace(), KE::cbegin(view), KE::cend(view), predicate)); // pass view - EXPECT_EQ(std_result, KE::count_if("label", exespace(), view, predicate)); + ASSERT_EQ(std_result, KE::count_if("label", exespace(), view, predicate)); } template diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsEqual.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsEqual.cpp index e5b1e8514d..ef0209b345 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsEqual.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsEqual.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsExclusiveScan.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsExclusiveScan.cpp index e470ee8620..799de8b0c4 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsExclusiveScan.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsExclusiveScan.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -185,7 +157,7 @@ void verify_data(ViewType1 data_view, // contains data // << gold_h(i) << " " << test_view_h(i) << " " // << std::abs(gold_h(i) - test_view_h(i)) << std::endl; if (std::is_same::value) { - EXPECT_EQ(gold_h(i), test_view_h(i)); + ASSERT_EQ(gold_h(i), test_view_h(i)); } else { const auto error = std::abs(static_cast(gold_h(i) - test_view_h(i))); @@ -241,7 +213,7 @@ void run_single_scenario_default_op(const InfoType& scenario_info, auto r = KE::exclusive_scan(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, default_op()); } @@ -250,14 +222,14 @@ void run_single_scenario_default_op(const InfoType& scenario_info, auto r = KE::exclusive_scan("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, default_op()); } { fill_zero(view_dest); auto r = KE::exclusive_scan(exespace(), view_from, view_dest, init_value); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, default_op()); } @@ -265,7 +237,7 @@ void run_single_scenario_default_op(const InfoType& scenario_info, fill_zero(view_dest); auto r = KE::exclusive_scan("label", exespace(), view_from, view_dest, init_value); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, default_op()); } @@ -291,7 +263,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, auto r = KE::exclusive_scan(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value, bop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop); } @@ -300,7 +272,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, auto r = KE::exclusive_scan("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value, bop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop); } @@ -308,7 +280,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, fill_zero(view_dest); auto r = KE::exclusive_scan(exespace(), view_from, view_dest, init_value, bop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop); } @@ -316,7 +288,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, fill_zero(view_dest); auto r = KE::exclusive_scan("label", exespace(), view_from, view_dest, init_value, bop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop); } @@ -372,6 +344,46 @@ TEST(std_algorithms_numeric_ops_test, exclusive_scan) { run_exclusive_scan_all_scenarios(); } +TEST(std_algorithms_numeric_ops_test, exclusive_scan_functor) { + int dummy = 0; + using view_type = Kokkos::View; + view_type dummy_view("dummy_view", 0); + using functor_type = Kokkos::Experimental::Impl::ExclusiveScanDefaultFunctor< + exespace, int, int, view_type, view_type>; + functor_type functor(dummy, dummy_view, dummy_view); + using value_type = functor_type::value_type; + + value_type value1; + functor.init(value1); + ASSERT_EQ(value1.val, 0); + ASSERT_EQ(value1.is_initial, true); + + value_type value2; + value2.val = 1; + value2.is_initial = false; + functor.join(value1, value2); + ASSERT_EQ(value1.val, 1); + ASSERT_EQ(value1.is_initial, false); + + functor.init(value1); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 1); + ASSERT_EQ(value2.is_initial, false); + + functor.init(value2); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 0); + ASSERT_EQ(value2.is_initial, true); + + value1.val = 1; + value1.is_initial = false; + value2.val = 2; + value2.is_initial = false; + functor.join(value2, value1); + ASSERT_EQ(value2.val, 3); + ASSERT_EQ(value2.is_initial, false); +} + } // namespace EScan } // namespace stdalgos } // namespace Test diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFind.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFind.cpp index 35b232e94f..2692df6982 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFind.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFind.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -62,14 +34,14 @@ void test_find(const ViewType view) { constexpr value_t find_value = 13; // value not found, return last - EXPECT_EQ(KE::end(expected), + ASSERT_EQ(KE::end(expected), std::find(KE::begin(expected), KE::end(expected), find_value)); // pass const iterators, returns const iterator - EXPECT_EQ(KE::cend(view), + ASSERT_EQ(KE::cend(view), KE::find(exespace(), KE::cbegin(view), KE::cend(view), find_value)); // pass view, returns iterator - EXPECT_EQ(KE::end(view), KE::find(exespace(), view, find_value)); + ASSERT_EQ(KE::end(view), KE::find(exespace(), view, find_value)); fill_views_inc(view, expected); @@ -78,10 +50,10 @@ void test_find(const ViewType view) { auto distance = std::distance(KE::begin(expected), std_result); // pass iterators, returns iterator - EXPECT_EQ(KE::begin(view) + distance, + ASSERT_EQ(KE::begin(view) + distance, KE::find(exespace(), KE::begin(view), KE::end(view), find_value)); // pass view, returns iterator - EXPECT_EQ(KE::begin(view) + distance, KE::find(exespace(), view, find_value)); + ASSERT_EQ(KE::begin(view) + distance, KE::find(exespace(), view, find_value)); } template @@ -95,15 +67,15 @@ void test_find_if(const ViewType view) { const auto not_equals_zero = NotEqualsZeroFunctor(); // value not found, return last - EXPECT_EQ( + ASSERT_EQ( KE::end(expected), std::find_if(KE::begin(expected), KE::end(expected), not_equals_zero)); // pass iterators, returns iterator - EXPECT_EQ(KE::end(view), KE::find_if(exespace(), KE::begin(view), + ASSERT_EQ(KE::end(view), KE::find_if(exespace(), KE::begin(view), KE::end(view), not_equals_zero)); // pass view, returns iterator - EXPECT_EQ(KE::end(view), KE::find_if(exespace(), view, not_equals_zero)); + ASSERT_EQ(KE::end(view), KE::find_if(exespace(), view, not_equals_zero)); fill_views_inc(view, expected); @@ -114,11 +86,11 @@ void test_find_if(const ViewType view) { auto distance = std::distance(KE::begin(expected), std_result); // pass const iterators, returns const iterator - EXPECT_EQ( + ASSERT_EQ( KE::cbegin(view) + distance, KE::find_if(exespace(), KE::cbegin(view), KE::cend(view), equals_val)); // pass view, returns iterator - EXPECT_EQ(KE::begin(view) + distance, + ASSERT_EQ(KE::begin(view) + distance, KE::find_if(exespace(), view, equals_val)); } @@ -133,15 +105,15 @@ void test_find_if_not(const ViewType view) { const auto not_equals_zero = NotEqualsZeroFunctor(); // first value matches - EXPECT_EQ(KE::begin(expected), + ASSERT_EQ(KE::begin(expected), std::find_if_not(KE::begin(expected), KE::end(expected), not_equals_zero)); // pass iterators, returns iterator - EXPECT_EQ(KE::begin(view), KE::find_if_not(exespace(), KE::begin(view), + ASSERT_EQ(KE::begin(view), KE::find_if_not(exespace(), KE::begin(view), KE::end(view), not_equals_zero)); // pass view, returns iterator - EXPECT_EQ(KE::begin(view), + ASSERT_EQ(KE::begin(view), KE::find_if_not(exespace(), view, not_equals_zero)); fill_views_inc(view, expected); @@ -152,11 +124,11 @@ void test_find_if_not(const ViewType view) { auto distance = std::distance(KE::begin(expected), std_result); // pass const iterators, returns const iterator - EXPECT_EQ(KE::cbegin(view) + distance, + ASSERT_EQ(KE::cbegin(view) + distance, KE::find_if_not(exespace(), KE::cbegin(view), KE::cend(view), equals_zero)); // pass view, returns const iterator - EXPECT_EQ(KE::begin(view) + distance, + ASSERT_EQ(KE::begin(view) + distance, KE::find_if_not(exespace(), view, equals_zero)); } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindEnd.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindEnd.cpp index 2a6d271856..5a5359b0b2 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindEnd.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindEnd.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -310,7 +282,7 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); // std::cout << "result : " << mydiff << " " << stddiff << std::endl; - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { @@ -319,21 +291,21 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, KE::cbegin(s_view), KE::cend(s_view), args...); const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::find_end(exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::find_end("label", exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindFirstOf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindFirstOf.cpp index 84892bc376..d77edb5fed 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindFirstOf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsFindFirstOf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -229,7 +201,7 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, KE::cbegin(s_view), KE::cend(s_view), args...); const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { @@ -238,21 +210,21 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, KE::cbegin(s_view), KE::cend(s_view), args...); const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::find_first_of(exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::find_first_of("label", exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsForEach.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsForEach.cpp index 79badc7c4f..793b98a67f 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsForEach.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsForEach.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -119,23 +91,23 @@ void test_for_each_n(const ViewType view) { const auto non_mod_functor = NoOpNonMutableFunctor(); // pass const iterators, functor takes const ref - EXPECT_EQ(KE::cbegin(view) + n, + ASSERT_EQ(KE::cbegin(view) + n, KE::for_each_n(exespace(), KE::cbegin(view), n, non_mod_functor)); verify_values(value_t{0}, view); // pass view, functor takes const ref - EXPECT_EQ(KE::begin(view) + n, + ASSERT_EQ(KE::begin(view) + n, KE::for_each_n(exespace(), view, n, non_mod_functor)); verify_values(value_t{0}, view); // pass iterators, functor takes non-const ref const auto mod_functor = IncrementElementWiseFunctor(); - EXPECT_EQ(KE::begin(view) + n, + ASSERT_EQ(KE::begin(view) + n, KE::for_each_n(exespace(), KE::begin(view), n, mod_functor)); verify_values(value_t{1}, view); // pass view, functor takes non-const ref - EXPECT_EQ(KE::begin(view) + n, + ASSERT_EQ(KE::begin(view) + n, KE::for_each_n("label", exespace(), view, n, mod_functor)); verify_values(value_t{2}, view); } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsHelperFunctors.hpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsHelperFunctors.hpp index 882a6012eb..a2a31f1f65 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsHelperFunctors.hpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsHelperFunctors.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #ifndef KOKKOS_ALGORITHMS_UNITTESTS_TEST_STD_ALGOS_HELPERS_FUNCTORS_HPP #define KOKKOS_ALGORITHMS_UNITTESTS_TEST_STD_ALGOS_HELPERS_FUNCTORS_HPP diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsInclusiveScan.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsInclusiveScan.cpp index 173fbed660..8e60a43e5f 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsInclusiveScan.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsInclusiveScan.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -199,7 +171,7 @@ void verify_data(ViewType1 data_view, // contains data // << std::abs(gold_h(i) - test_view_h(i)) << std::endl; if (std::is_same::value) { - EXPECT_EQ(gold_h(i), test_view_h(i)); + ASSERT_EQ(gold_h(i), test_view_h(i)); } else { const auto error = std::abs(static_cast(gold_h(i) - test_view_h(i))); @@ -252,7 +224,7 @@ void run_single_scenario_default_op(const InfoType& scenario_info) { fill_zero(view_dest); auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest)); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, default_op()); } @@ -260,21 +232,21 @@ void run_single_scenario_default_op(const InfoType& scenario_info) { fill_zero(view_dest); auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest)); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, default_op()); } { fill_zero(view_dest); auto r = KE::inclusive_scan(exespace(), view_from, view_dest); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, default_op()); } { fill_zero(view_dest); auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, default_op()); } @@ -307,7 +279,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, BinaryOp bop, auto r = KE::inclusive_scan(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), bop, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, bop, args...); } @@ -316,14 +288,14 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, BinaryOp bop, auto r = KE::inclusive_scan("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), bop, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, bop, args...); } { fill_zero(view_dest); auto r = KE::inclusive_scan(exespace(), view_from, view_dest, bop, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, bop, args...); } @@ -331,7 +303,7 @@ void run_single_scenario_custom_op(const InfoType& scenario_info, BinaryOp bop, fill_zero(view_dest); auto r = KE::inclusive_scan("label", exespace(), view_from, view_dest, bop, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, bop, args...); } @@ -381,6 +353,45 @@ TEST(std_algorithms_numeric_ops_test, inclusive_scan) { run_inclusive_scan_all_scenarios(); } +TEST(std_algorithms_numeric_ops_test, inclusive_scan_functor) { + using view_type = Kokkos::View; + view_type dummy_view("dummy_view", 0); + using functor_type = Kokkos::Experimental::Impl::InclusiveScanDefaultFunctor< + exespace, int, int, view_type, view_type>; + functor_type functor(dummy_view, dummy_view); + using value_type = functor_type::value_type; + + value_type value1; + functor.init(value1); + ASSERT_EQ(value1.val, 0); + ASSERT_EQ(value1.is_initial, true); + + value_type value2; + value2.val = 1; + value2.is_initial = false; + functor.join(value1, value2); + ASSERT_EQ(value1.val, 1); + ASSERT_EQ(value1.is_initial, false); + + functor.init(value1); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 1); + ASSERT_EQ(value2.is_initial, false); + + functor.init(value2); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 0); + ASSERT_EQ(value2.is_initial, true); + + value1.val = 1; + value1.is_initial = false; + value2.val = 2; + value2.is_initial = false; + functor.join(value2, value1); + ASSERT_EQ(value2.val, 3); + ASSERT_EQ(value2.is_initial, false); +} + } // namespace IncScan } // namespace stdalgos } // namespace Test diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSorted.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSorted.cpp index b0df935392..f31d49e06b 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSorted.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSorted.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSortedUntil.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSortedUntil.cpp index 7f0071e248..dcfe8ad67e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSortedUntil.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsIsSortedUntil.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -173,10 +145,10 @@ void run_single_scenario(const InfoType& scenario_info) { KE::is_sorted_until("label", exespace(), KE::begin(view), KE::end(view)); auto r3 = KE::is_sorted_until(exespace(), view); auto r4 = KE::is_sorted_until("label", exespace(), view); - EXPECT_EQ(r1, gold); - EXPECT_EQ(r2, gold); - EXPECT_EQ(r3, gold); - EXPECT_EQ(r4, gold); + ASSERT_EQ(r1, gold); + ASSERT_EQ(r2, gold); + ASSERT_EQ(r3, gold); + ASSERT_EQ(r4, gold); #if !defined KOKKOS_ENABLE_OPENMPTARGET CustomLessThanComparator comp; @@ -188,10 +160,10 @@ void run_single_scenario(const InfoType& scenario_info) { auto r8 = KE::is_sorted_until("label", exespace(), view, comp); #endif - EXPECT_EQ(r1, gold); - EXPECT_EQ(r2, gold); - EXPECT_EQ(r3, gold); - EXPECT_EQ(r4, gold); + ASSERT_EQ(r1, gold); + ASSERT_EQ(r2, gold); + ASSERT_EQ(r3, gold); + ASSERT_EQ(r4, gold); Kokkos::fence(); } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsLexicographicalCompare.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsLexicographicalCompare.cpp index 8bfa51b4f5..5d9e7db803 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsLexicographicalCompare.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsLexicographicalCompare.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -72,16 +44,16 @@ void test_lexicographical_compare(const ViewType1 view_1, ViewType2 view_2) { std::lexicographical_compare(h_first_1, h_last_1, h_first_2, h_last_2); // pass iterators - EXPECT_EQ(std_result, KE::lexicographical_compare(exespace(), first_1, + ASSERT_EQ(std_result, KE::lexicographical_compare(exespace(), first_1, last_1, first_2, last_2)); - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare("label", exespace(), first_1, last_1, first_2, last_2)); // pass views - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare(exespace(), view_1, view_2)); - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare("label", exespace(), view_1, view_2)); } @@ -95,17 +67,17 @@ void test_lexicographical_compare(const ViewType1 view_1, ViewType2 view_2) { h_first_1, h_last_1, h_first_2, h_last_2, custom_comparator); // pass iterators - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare(exespace(), first_1, last_1, first_2, last_2, custom_comparator)); - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare("label", exespace(), first_1, last_1, first_2, last_2, custom_comparator)); // pass views - EXPECT_EQ(std_result, KE::lexicographical_compare( + ASSERT_EQ(std_result, KE::lexicographical_compare( exespace(), view_1, view_2, custom_comparator)); - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare("label", exespace(), view_1, view_2, custom_comparator)); } @@ -114,7 +86,7 @@ void test_lexicographical_compare(const ViewType1 view_1, ViewType2 view_2) { // empty vs non-empty auto std_result = std::lexicographical_compare(h_first_1, h_first_1, h_first_2, h_last_2); - EXPECT_EQ(std_result, KE::lexicographical_compare( + ASSERT_EQ(std_result, KE::lexicographical_compare( exespace(), first_1, first_1, first_2, last_2)); } @@ -123,7 +95,7 @@ void test_lexicographical_compare(const ViewType1 view_1, ViewType2 view_2) { if (view_1.extent(0) > 1) { auto std_result = std::lexicographical_compare(h_first_1, h_last_1 - 1, h_first_2, h_last_2); - EXPECT_EQ(std_result, + ASSERT_EQ(std_result, KE::lexicographical_compare(exespace(), first_1, last_1 - 1, first_2, last_2)); } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMinMaxElementOps.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMinMaxElementOps.cpp index 56819de8c1..bc43231784 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMinMaxElementOps.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMinMaxElementOps.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -201,7 +173,7 @@ void std_algo_min_max_test_verify(Kokkos::pair goldPair, const ItType result, TestedViewType testedView) { // check that iterator is pointing to right element - EXPECT_EQ(result - KE::begin(testedView), goldPair.first); + ASSERT_EQ(result - KE::begin(testedView), goldPair.first); // create a view for the result to copy into it the iterator's value using result_view_t = Kokkos::View; @@ -212,7 +184,7 @@ void std_algo_min_max_test_verify(Kokkos::pair goldPair, Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), resultView); // use the host mirror of the result view to check that the values match - EXPECT_EQ(result_v_h(), goldPair.second); + ASSERT_EQ(result_v_h(), goldPair.second); } template @@ -227,39 +199,39 @@ template void test_max_element_trivial_data(ViewType view) { /* if we pass empty range, should return last */ auto result = KE::max_element(exespace(), KE::cbegin(view), KE::cbegin(view)); - EXPECT_EQ(result, KE::cbegin(view)); + ASSERT_EQ(result, KE::cbegin(view)); /* if we pass empty range, should return last */ auto it0 = KE::cbegin(view) + 3; auto it1 = it0; auto result2 = KE::max_element(exespace(), it0, it1); - EXPECT_EQ(result2, it1); + ASSERT_EQ(result2, it1); } template void test_min_element_trivial_data(ViewType view) { /* if we pass empty range, should return last */ auto result = KE::min_element(exespace(), KE::cbegin(view), KE::cbegin(view)); - EXPECT_EQ(result, KE::cbegin(view)); + ASSERT_EQ(result, KE::cbegin(view)); /* if we pass empty range, should return last */ auto it0 = KE::cbegin(view) + 3; auto it1 = it0; auto result2 = KE::min_element(exespace(), it0, it1); - EXPECT_EQ(result2, it1); + ASSERT_EQ(result2, it1); } template void test_minmax_element_empty_range(ViewType view) { auto result = KE::minmax_element(exespace(), KE::cbegin(view), KE::cbegin(view)); - EXPECT_EQ(result.first, KE::cbegin(view)); - EXPECT_EQ(result.second, KE::cbegin(view)); + ASSERT_EQ(result.first, KE::cbegin(view)); + ASSERT_EQ(result.second, KE::cbegin(view)); auto it0 = KE::cbegin(view) + 3; auto it1 = it0; auto result2 = KE::minmax_element(exespace(), it0, it1); - EXPECT_EQ(result2.first, it1); - EXPECT_EQ(result2.second, it1); + ASSERT_EQ(result2.first, it1); + ASSERT_EQ(result2.second, it1); } template diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMismatch.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMismatch.cpp index 4bc4e018b4..f3b3e269c4 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMismatch.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMismatch.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -148,10 +120,10 @@ void run_single_scenario(ViewType view1, ViewType view2, const auto my_diff12 = my_res1.second - f2; const auto my_diff21 = my_res2.first - f1; const auto my_diff22 = my_res2.second - f2; - EXPECT_EQ(my_diff11, std_diff1); - EXPECT_EQ(my_diff12, std_diff2); - EXPECT_EQ(my_diff21, std_diff1); - EXPECT_EQ(my_diff22, std_diff2); + ASSERT_EQ(my_diff11, std_diff1); + ASSERT_EQ(my_diff12, std_diff2); + ASSERT_EQ(my_diff21, std_diff1); + ASSERT_EQ(my_diff22, std_diff2); } { @@ -162,10 +134,10 @@ void run_single_scenario(ViewType view1, ViewType view2, const auto my_diff12 = my_res1.second - KE::begin(view2); const auto my_diff21 = my_res2.first - KE::begin(view1); const auto my_diff22 = my_res2.second - KE::begin(view2); - EXPECT_EQ(my_diff11, std_diff1); - EXPECT_EQ(my_diff12, std_diff2); - EXPECT_EQ(my_diff21, std_diff1); - EXPECT_EQ(my_diff22, std_diff2); + ASSERT_EQ(my_diff11, std_diff1); + ASSERT_EQ(my_diff12, std_diff2); + ASSERT_EQ(my_diff21, std_diff1); + ASSERT_EQ(my_diff22, std_diff2); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModOps.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModOps.cpp index 8d4f604037..4604764097 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModOps.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModOps.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -80,14 +52,14 @@ TEST(std_algorithms_mod_ops_test, move) { // move constr MyMovableType b(std::move(a)); - EXPECT_EQ(b.m_value, 11); - EXPECT_EQ(a.m_value, -2); + ASSERT_EQ(b.m_value, 11); + ASSERT_EQ(a.m_value, -2); // move assign MyMovableType c; c = std::move(b); - EXPECT_EQ(c.m_value, 11); - EXPECT_EQ(b.m_value, -4); + ASSERT_EQ(c.m_value, 11); + ASSERT_EQ(b.m_value, -4); } template @@ -125,8 +97,8 @@ TEST(std_algorithms_mod_ops_test, swap) { int a = 1; int b = 2; KE::swap(a, b); - EXPECT_EQ(a, 2); - EXPECT_EQ(b, 1); + ASSERT_EQ(a, 2); + ASSERT_EQ(b, 1); } { @@ -179,17 +151,17 @@ void test_iter_swap(ViewType view) { using value_type = typename ViewType::value_type; auto a_dc = create_deep_copyable_compatible_clone(view); auto a_h = create_mirror_view_and_copy(Kokkos::HostSpace(), a_dc); - EXPECT_EQ(view.extent_int(0), 10); - EXPECT_EQ(a_h(0), value_type(3)); - EXPECT_EQ(a_h(1), value_type(1)); - EXPECT_EQ(a_h(2), value_type(2)); - EXPECT_EQ(a_h(3), value_type(0)); - EXPECT_EQ(a_h(4), value_type(6)); - EXPECT_EQ(a_h(5), value_type(5)); - EXPECT_EQ(a_h(6), value_type(4)); - EXPECT_EQ(a_h(7), value_type(7)); - EXPECT_EQ(a_h(8), value_type(8)); - EXPECT_EQ(a_h(9), value_type(9)); + ASSERT_EQ(view.extent_int(0), 10); + ASSERT_EQ(a_h(0), value_type(3)); + ASSERT_EQ(a_h(1), value_type(1)); + ASSERT_EQ(a_h(2), value_type(2)); + ASSERT_EQ(a_h(3), value_type(0)); + ASSERT_EQ(a_h(4), value_type(6)); + ASSERT_EQ(a_h(5), value_type(5)); + ASSERT_EQ(a_h(6), value_type(4)); + ASSERT_EQ(a_h(7), value_type(7)); + ASSERT_EQ(a_h(8), value_type(8)); + ASSERT_EQ(a_h(9), value_type(9)); } TEST(std_algorithms_mod_ops_test, iter_swap_static_view) { diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModSeqOps.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModSeqOps.cpp index 1e3960c5e6..f80f30797e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModSeqOps.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsModSeqOps.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -62,21 +34,21 @@ struct std_algorithms_mod_seq_ops_test : std_algorithms_test { TEST_F(std_algorithms_mod_seq_ops_test, copy) { auto result = KE::copy(exespace(), KE::begin(m_static_view), KE::end(m_static_view), KE::begin(m_strided_view)); - EXPECT_EQ(KE::end(m_strided_view), result); + ASSERT_EQ(KE::end(m_strided_view), result); compare_views(m_static_view, m_strided_view); auto result2 = KE::copy(exespace(), KE::begin(m_strided_view), KE::end(m_strided_view), KE::begin(m_dynamic_view)); - EXPECT_EQ(KE::end(m_dynamic_view), result2); + ASSERT_EQ(KE::end(m_dynamic_view), result2); compare_views(m_dynamic_view, m_strided_view); } TEST_F(std_algorithms_mod_seq_ops_test, copy_view) { - EXPECT_EQ(KE::end(m_dynamic_view), + ASSERT_EQ(KE::end(m_dynamic_view), KE::copy(exespace(), m_static_view, m_dynamic_view)); compare_views(m_static_view, m_dynamic_view); - EXPECT_EQ(KE::end(m_strided_view), + ASSERT_EQ(KE::end(m_strided_view), KE::copy(exespace(), m_dynamic_view, m_strided_view)); compare_views(m_dynamic_view, m_strided_view); } @@ -98,11 +70,11 @@ TEST_F(std_algorithms_mod_seq_ops_test, copy_n) { // pass iterators auto first = KE::begin(m_static_view); auto dest = KE::begin(m_dynamic_view); - EXPECT_EQ(dest + n, KE::copy_n(exespace(), first, n, dest)); + ASSERT_EQ(dest + n, KE::copy_n(exespace(), first, n, dest)); compare_views(expected, m_dynamic_view); // pass views - EXPECT_EQ(KE::begin(m_strided_view) + n, + ASSERT_EQ(KE::begin(m_strided_view) + n, KE::copy_n(exespace(), m_static_view, n, m_strided_view)); compare_views(expected, m_strided_view); } @@ -113,12 +85,12 @@ TEST_F(std_algorithms_mod_seq_ops_test, copy_backward) { auto dest = KE::end(m_dynamic_view); // pass iterators - EXPECT_EQ(KE::begin(m_dynamic_view), + ASSERT_EQ(KE::begin(m_dynamic_view), KE::copy_backward(exespace(), first, last, dest)); compare_views(m_static_view, m_dynamic_view); // pass views - EXPECT_EQ(KE::begin(m_strided_view), + ASSERT_EQ(KE::begin(m_strided_view), KE::copy_backward(exespace(), m_static_view, m_strided_view)); compare_views(m_static_view, m_strided_view); } @@ -140,11 +112,11 @@ TEST_F(std_algorithms_mod_seq_ops_test, reverse_copy) { auto last = KE::end(m_static_view); auto dest = KE::begin(m_dynamic_view); - EXPECT_EQ(KE::end(m_dynamic_view), + ASSERT_EQ(KE::end(m_dynamic_view), KE::reverse_copy(exespace(), first, last, dest)); compare_views(expected, m_dynamic_view); - EXPECT_EQ(KE::end(m_strided_view), + ASSERT_EQ(KE::end(m_strided_view), KE::reverse_copy(exespace(), m_static_view, m_strided_view)); compare_views(expected, m_strided_view); } @@ -179,25 +151,25 @@ TEST_F(std_algorithms_mod_seq_ops_test, fill_n) { // fill all elements // pass iterator - EXPECT_EQ(KE::end(m_static_view), + ASSERT_EQ(KE::end(m_static_view), KE::fill_n(exespace(), KE::begin(m_static_view), m_static_view.extent(0), fill_n_value)); verify_values(fill_n_value, m_static_view); // pass view - EXPECT_EQ(KE::end(m_strided_view), + ASSERT_EQ(KE::end(m_strided_view), KE::fill_n(exespace(), m_strided_view, m_strided_view.extent(0), fill_n_value)); verify_values(fill_n_value, m_strided_view); // fill zero elements // pass view - EXPECT_EQ(KE::begin(m_dynamic_view), + ASSERT_EQ(KE::begin(m_dynamic_view), KE::fill_n(exespace(), m_dynamic_view, 0, fill_n_new_value)); // fill single element // pass iterator - EXPECT_EQ( + ASSERT_EQ( KE::begin(m_static_view) + 1, KE::fill_n(exespace(), KE::begin(m_static_view), 1, fill_n_new_value)); @@ -240,21 +212,21 @@ TEST_F(std_algorithms_mod_seq_ops_test, transform_from_fixture_unary_op) { auto r1 = KE::transform(exespace(), KE::begin(m_static_view), KE::end(m_static_view), KE::begin(m_dynamic_view), TransformFunctor()); - EXPECT_EQ(r1, KE::end(m_dynamic_view)); + ASSERT_EQ(r1, KE::end(m_dynamic_view)); compare_views(gold_source, m_static_view); verify_values(-1., m_dynamic_view); // transform dynamic view, store results in strided view auto r2 = KE::transform(exespace(), m_dynamic_view, m_strided_view, TransformFunctor()); - EXPECT_EQ(r2, KE::end(m_strided_view)); + ASSERT_EQ(r2, KE::end(m_strided_view)); verify_values(-1., m_dynamic_view); verify_values(-1., m_strided_view); // transform strided view, store results in static view auto r3 = KE::transform(exespace(), m_strided_view, m_static_view, TransformFunctor()); - EXPECT_EQ(r3, KE::end(m_static_view)); + ASSERT_EQ(r3, KE::end(m_static_view)); verify_values(-1., m_static_view); verify_values(-1., m_strided_view); } @@ -282,7 +254,7 @@ TEST_F(std_algorithms_mod_seq_ops_test, transform_from_fixture_binary_op) { auto r1 = KE::transform(exespace(), KE::begin(m_static_view), KE::end(m_static_view), KE::begin(m_dynamic_view), KE::begin(m_strided_view), TransformBinaryFunctor()); - EXPECT_EQ(r1, KE::end(m_strided_view)); + ASSERT_EQ(r1, KE::end(m_strided_view)); compare_views(expected, m_strided_view); expected(0) = 0; @@ -297,7 +269,7 @@ TEST_F(std_algorithms_mod_seq_ops_test, transform_from_fixture_binary_op) { expected(9) = 18; auto r2 = KE::transform("label", exespace(), m_static_view, m_strided_view, m_dynamic_view, TransformBinaryFunctor()); - EXPECT_EQ(r2, KE::end(m_dynamic_view)); + ASSERT_EQ(r2, KE::end(m_dynamic_view)); compare_views(expected, m_dynamic_view); } @@ -324,19 +296,19 @@ TEST_F(std_algorithms_mod_seq_ops_test, generate) { TEST_F(std_algorithms_mod_seq_ops_test, generate_n) { // iterator + functor - EXPECT_EQ(KE::end(m_static_view), + ASSERT_EQ(KE::end(m_static_view), KE::generate_n(exespace(), KE::begin(m_static_view), m_static_view.extent(0), GenerateFunctor())); verify_values(generated_value, m_static_view); // view + functor - EXPECT_EQ(KE::end(m_dynamic_view), + ASSERT_EQ(KE::end(m_dynamic_view), KE::generate_n(exespace(), m_dynamic_view, m_dynamic_view.extent(0), GenerateFunctor())); verify_values(generated_value, m_dynamic_view); // view + functor, negative n - EXPECT_EQ(KE::begin(m_strided_view), + ASSERT_EQ(KE::begin(m_strided_view), KE::generate_n(exespace(), m_strided_view, -1, GenerateFunctor())); } @@ -380,7 +352,7 @@ void test_swap_ranges(ViewType view) { auto last1 = first1 + 4; auto first2 = KE::begin(viewB) + 1; auto r = KE::swap_ranges(exespace(), first1, last1, first2); - EXPECT_EQ(r, first2 + 4); + ASSERT_EQ(r, first2 + 4); /* check VIEW_A */ static_view_type checkViewA("tmp"); @@ -388,16 +360,16 @@ void test_swap_ranges(ViewType view) { parallel_for(ext, cp_func_a_t(view, checkViewA)); auto cvA_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), checkViewA); - EXPECT_EQ(cvA_h(0), 0); - EXPECT_EQ(cvA_h(1), 1); - EXPECT_EQ(cvA_h(2), 99); - EXPECT_EQ(cvA_h(3), 98); - EXPECT_EQ(cvA_h(4), 97); - EXPECT_EQ(cvA_h(5), 96); - EXPECT_EQ(cvA_h(6), 6); - EXPECT_EQ(cvA_h(7), 7); - EXPECT_EQ(cvA_h(8), 8); - EXPECT_EQ(cvA_h(9), 9); + ASSERT_EQ(cvA_h(0), 0); + ASSERT_EQ(cvA_h(1), 1); + ASSERT_EQ(cvA_h(2), 99); + ASSERT_EQ(cvA_h(3), 98); + ASSERT_EQ(cvA_h(4), 97); + ASSERT_EQ(cvA_h(5), 96); + ASSERT_EQ(cvA_h(6), 6); + ASSERT_EQ(cvA_h(7), 7); + ASSERT_EQ(cvA_h(8), 8); + ASSERT_EQ(cvA_h(9), 9); /* check viewB */ static_view_type checkViewB("tmpB"); @@ -405,16 +377,16 @@ void test_swap_ranges(ViewType view) { Kokkos::parallel_for(ext, cp_func_b_t(viewB, checkViewB)); auto cvB_h = Kokkos::create_mirror_view_and_copy(Kokkos::HostSpace(), checkViewB); - EXPECT_EQ(cvB_h(0), 100); - EXPECT_EQ(cvB_h(1), 2); - EXPECT_EQ(cvB_h(2), 3); - EXPECT_EQ(cvB_h(3), 4); - EXPECT_EQ(cvB_h(4), 5); - EXPECT_EQ(cvB_h(5), 95); - EXPECT_EQ(cvB_h(6), 94); - EXPECT_EQ(cvB_h(7), 93); - EXPECT_EQ(cvB_h(8), 92); - EXPECT_EQ(cvB_h(9), 91); + ASSERT_EQ(cvB_h(0), 100); + ASSERT_EQ(cvB_h(1), 2); + ASSERT_EQ(cvB_h(2), 3); + ASSERT_EQ(cvB_h(3), 4); + ASSERT_EQ(cvB_h(4), 5); + ASSERT_EQ(cvB_h(5), 95); + ASSERT_EQ(cvB_h(6), 94); + ASSERT_EQ(cvB_h(7), 93); + ASSERT_EQ(cvB_h(8), 92); + ASSERT_EQ(cvB_h(9), 91); } TEST_F(std_algorithms_mod_seq_ops_test, swap_ranges) { diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMoveBackward.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMoveBackward.cpp index 002d354661..b201ab95c1 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMoveBackward.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsMoveBackward.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -81,20 +53,20 @@ void run_single_scenario(const InfoType& scenario_info, int apiId) { auto rit = KE::move_backward(exespace(), KE::begin(v), KE::end(v), KE::end(v2)); const int dist = KE::distance(KE::begin(v2), rit); - EXPECT_EQ(dist, 5); + ASSERT_EQ(dist, 5); } else if (apiId == 1) { auto rit = KE::move_backward("mylabel", exespace(), KE::begin(v), KE::end(v), KE::end(v2)); const int dist = KE::distance(KE::begin(v2), rit); - EXPECT_EQ(dist, 5); + ASSERT_EQ(dist, 5); } else if (apiId == 2) { auto rit = KE::move_backward(exespace(), v, v2); const int dist = KE::distance(KE::begin(v2), rit); - EXPECT_EQ(dist, 5); + ASSERT_EQ(dist, 5); } else if (apiId == 3) { auto rit = KE::move_backward("mylabel", exespace(), v, v2); const int dist = KE::distance(KE::begin(v2), rit); - EXPECT_EQ(dist, 5); + ASSERT_EQ(dist, 5); } // check diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsNumerics.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsNumerics.cpp index 0ea5fcc99a..0933c4e135 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsNumerics.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsNumerics.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -179,8 +151,8 @@ void run_and_check_transform_reduce_default(ViewType1 first_view, const auto r2 = KE::transform_reduce( "MYLABEL", ExecutionSpace(), KE::cbegin(first_view), KE::cbegin(first_view), KE::cbegin(second_view), init_value); - EXPECT_EQ(r1, init_value); - EXPECT_EQ(r2, init_value); + ASSERT_EQ(r1, init_value); + ASSERT_EQ(r2, init_value); // non-trivial cases const auto r3 = KE::transform_reduce(ExecutionSpace(), KE::cbegin(first_view), @@ -196,10 +168,10 @@ void run_and_check_transform_reduce_default(ViewType1 first_view, const auto r6 = KE::transform_reduce("MYLABEL", ExecutionSpace(), first_view, second_view, init_value); - EXPECT_EQ(r3, result_value); - EXPECT_EQ(r4, result_value); - EXPECT_EQ(r5, result_value); - EXPECT_EQ(r6, result_value); + ASSERT_EQ(r3, result_value); + ASSERT_EQ(r4, result_value); + ASSERT_EQ(r5, result_value); + ASSERT_EQ(r6, result_value); } TEST_F(std_algorithms_numerics_test, @@ -282,8 +254,8 @@ void run_and_check_transform_reduce_overloadA(ViewType1 first_view, KE::cbegin(first_view), KE::cbegin(second_view), init_value, std::forward(args)...); - EXPECT_EQ(r1, init_value); - EXPECT_EQ(r2, init_value); + ASSERT_EQ(r1, init_value); + ASSERT_EQ(r2, init_value); // non trivial cases const auto r3 = KE::transform_reduce( @@ -301,10 +273,10 @@ void run_and_check_transform_reduce_overloadA(ViewType1 first_view, KE::transform_reduce("MYLABEL", ExecutionSpace(), first_view, second_view, init_value, std::forward(args)...); - EXPECT_EQ(r3, result_value); - EXPECT_EQ(r4, result_value); - EXPECT_EQ(r5, result_value); - EXPECT_EQ(r6, result_value); + ASSERT_EQ(r3, result_value); + ASSERT_EQ(r4, result_value); + ASSERT_EQ(r5, result_value); + ASSERT_EQ(r6, result_value); } TEST_F(std_algorithms_numerics_test, @@ -401,8 +373,8 @@ void run_and_check_transform_reduce_overloadB(ViewType view, KE::cbegin(view), KE::cbegin(view), init_value, std::forward(args)...); - EXPECT_EQ(r1, init_value); - EXPECT_EQ(r2, init_value); + ASSERT_EQ(r1, init_value); + ASSERT_EQ(r2, init_value); // non trivial const auto r3 = @@ -418,10 +390,10 @@ void run_and_check_transform_reduce_overloadB(ViewType view, const auto r6 = KE::transform_reduce("MYLABEL", ExecutionSpace(), view, init_value, std::forward(args)...); - EXPECT_EQ(r3, result_value); - EXPECT_EQ(r4, result_value); - EXPECT_EQ(r5, result_value); - EXPECT_EQ(r6, result_value); + ASSERT_EQ(r3, result_value); + ASSERT_EQ(r4, result_value); + ASSERT_EQ(r5, result_value); + ASSERT_EQ(r6, result_value); } TEST_F(std_algorithms_numerics_test, @@ -475,8 +447,8 @@ void run_and_check_reduce_overloadA(ViewType view, ValueType non_trivial_result, KE::reduce(ExecutionSpace(), KE::cbegin(view), KE::cbegin(view)); const auto r2 = KE::reduce("MYLABEL", ExecutionSpace(), KE::cbegin(view), KE::cbegin(view)); - EXPECT_EQ(r1, trivial_result); - EXPECT_EQ(r2, trivial_result); + ASSERT_EQ(r1, trivial_result); + ASSERT_EQ(r2, trivial_result); // non trivial cases const auto r3 = @@ -486,10 +458,10 @@ void run_and_check_reduce_overloadA(ViewType view, ValueType non_trivial_result, const auto r5 = KE::reduce(ExecutionSpace(), view); const auto r6 = KE::reduce("MYLABEL", ExecutionSpace(), view); - EXPECT_EQ(r3, non_trivial_result); - EXPECT_EQ(r4, non_trivial_result); - EXPECT_EQ(r5, non_trivial_result); - EXPECT_EQ(r6, non_trivial_result); + ASSERT_EQ(r3, non_trivial_result); + ASSERT_EQ(r4, non_trivial_result); + ASSERT_EQ(r5, non_trivial_result); + ASSERT_EQ(r6, non_trivial_result); } TEST_F(std_algorithms_numerics_test, @@ -531,8 +503,8 @@ void run_and_check_reduce_overloadB(ViewType view, ValueType result_value, KE::cbegin(view), init_value); const auto r2 = KE::reduce("MYLABEL", ExecutionSpace(), KE::cbegin(view), KE::cbegin(view), init_value); - EXPECT_EQ(r1, init_value); - EXPECT_EQ(r2, init_value); + ASSERT_EQ(r1, init_value); + ASSERT_EQ(r2, init_value); // non trivial cases const auto r3 = KE::reduce(ExecutionSpace(), KE::cbegin(view), KE::cend(view), @@ -542,10 +514,10 @@ void run_and_check_reduce_overloadB(ViewType view, ValueType result_value, const auto r5 = KE::reduce(ExecutionSpace(), view, init_value); const auto r6 = KE::reduce("MYLABEL", ExecutionSpace(), view, init_value); - EXPECT_EQ(r3, result_value); - EXPECT_EQ(r4, result_value); - EXPECT_EQ(r5, result_value); - EXPECT_EQ(r6, result_value); + ASSERT_EQ(r3, result_value); + ASSERT_EQ(r4, result_value); + ASSERT_EQ(r5, result_value); + ASSERT_EQ(r6, result_value); } TEST_F(std_algorithms_numerics_test, @@ -581,8 +553,8 @@ void run_and_check_reduce_overloadC(ViewType view, ValueType result_value, KE::cbegin(view), init_value, joiner); const auto r2 = KE::reduce("MYLABEL", ExecutionSpace(), KE::cbegin(view), KE::cbegin(view), init_value, joiner); - EXPECT_EQ(r1, init_value); - EXPECT_EQ(r2, init_value); + ASSERT_EQ(r1, init_value); + ASSERT_EQ(r2, init_value); // non trivial cases const auto r3 = KE::reduce(ExecutionSpace(), KE::cbegin(view), KE::cend(view), @@ -593,10 +565,10 @@ void run_and_check_reduce_overloadC(ViewType view, ValueType result_value, const auto r6 = KE::reduce("MYLABEL", ExecutionSpace(), view, init_value, joiner); - EXPECT_EQ(r3, result_value); - EXPECT_EQ(r4, result_value); - EXPECT_EQ(r5, result_value); - EXPECT_EQ(r6, result_value); + ASSERT_EQ(r3, result_value); + ASSERT_EQ(r4, result_value); + ASSERT_EQ(r5, result_value); + ASSERT_EQ(r6, result_value); } TEST_F(std_algorithms_numerics_test, diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitionCopy.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitionCopy.cpp index a461f27515..f169fd9ce8 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitionCopy.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitionCopy.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -158,12 +130,12 @@ void verify_data(const std::string& name, ResultType my_result, const std::size_t my_diff_true = my_result.first - KE::begin(view_dest_true); const std::size_t my_diff_false = my_result.second - KE::begin(view_dest_false); - EXPECT_EQ(std_diff_true, my_diff_true); - EXPECT_EQ(std_diff_false, my_diff_false); + ASSERT_EQ(std_diff_true, my_diff_true); + ASSERT_EQ(std_diff_false, my_diff_false); auto view_dest_true_h = create_host_space_copy(view_dest_true); for (std::size_t i = 0; i < std_diff_true; ++i) { - EXPECT_EQ(std_vec_true[i], view_dest_true_h(i)); + ASSERT_EQ(std_vec_true[i], view_dest_true_h(i)); // std::cout << "i= " << i << " " // << " std_true = " << std_vec_true[i] << " " // << " mine = " << view_dest_true_h(i) << '\n'; @@ -171,45 +143,45 @@ void verify_data(const std::string& name, ResultType my_result, auto view_dest_false_h = create_host_space_copy(view_dest_false); for (std::size_t i = 0; i < std_diff_false; ++i) { - EXPECT_EQ(std_vec_false[i], view_dest_false_h(i)); + ASSERT_EQ(std_vec_false[i], view_dest_false_h(i)); // std::cout << "i= " << i << " " // << " std_false = " << std_vec_false[i] << " " // << " mine = " << view_dest_false_h(i) << '\n'; } if (name == "empty") { - EXPECT_EQ(my_diff_true, 0u); - EXPECT_EQ(my_diff_false, 0u); + ASSERT_EQ(my_diff_true, 0u); + ASSERT_EQ(my_diff_false, 0u); } else if (name == "one-element-a") { - EXPECT_EQ(my_diff_true, 0u); - EXPECT_EQ(my_diff_false, 1u); + ASSERT_EQ(my_diff_true, 0u); + ASSERT_EQ(my_diff_false, 1u); } else if (name == "one-element-b") { - EXPECT_EQ(my_diff_true, 1u); - EXPECT_EQ(my_diff_false, 0u); + ASSERT_EQ(my_diff_true, 1u); + ASSERT_EQ(my_diff_false, 0u); } else if (name == "two-elements-a") { - EXPECT_EQ(my_diff_true, 1u); - EXPECT_EQ(my_diff_false, 1u); + ASSERT_EQ(my_diff_true, 1u); + ASSERT_EQ(my_diff_false, 1u); } else if (name == "two-elements-b") { - EXPECT_EQ(my_diff_true, 1u); - EXPECT_EQ(my_diff_false, 1u); + ASSERT_EQ(my_diff_true, 1u); + ASSERT_EQ(my_diff_false, 1u); } else if (name == "small-b") { - EXPECT_EQ(my_diff_true, 13u); - EXPECT_EQ(my_diff_false, 0u); + ASSERT_EQ(my_diff_true, 13u); + ASSERT_EQ(my_diff_false, 0u); } else if (name == "small-c") { - EXPECT_EQ(my_diff_true, 0u); - EXPECT_EQ(my_diff_false, 15u); + ASSERT_EQ(my_diff_true, 0u); + ASSERT_EQ(my_diff_false, 15u); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitioningOps.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitioningOps.cpp index 0d46151559..33a1326c47 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitioningOps.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsPartitioningOps.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include @@ -199,15 +171,15 @@ TEST_F(std_algorithms_partitioning_test, is_partitioned_accepting_iterators) { goldSolutionIsPartitioned(static_cast(id)); const auto result1 = KE::is_partitioned( exespace(), KE::cbegin(m_static_view), KE::cend(m_static_view), p); - EXPECT_EQ(goldBool, result1); + ASSERT_EQ(goldBool, result1); const auto result2 = KE::is_partitioned( exespace(), KE::cbegin(m_dynamic_view), KE::cend(m_dynamic_view), p); - EXPECT_EQ(goldBool, result2); + ASSERT_EQ(goldBool, result2); const auto result3 = KE::is_partitioned( exespace(), KE::cbegin(m_strided_view), KE::cend(m_strided_view), p); - EXPECT_EQ(goldBool, result3); + ASSERT_EQ(goldBool, result3); } } @@ -219,13 +191,13 @@ TEST_F(std_algorithms_partitioning_test, is_partitioned_accepting_view) { const bool goldBool = goldSolutionIsPartitioned(static_cast(id)); const auto result1 = KE::is_partitioned(exespace(), m_static_view, p); - EXPECT_EQ(goldBool, result1); + ASSERT_EQ(goldBool, result1); const auto result2 = KE::is_partitioned(exespace(), m_dynamic_view, p); - EXPECT_EQ(goldBool, result2); + ASSERT_EQ(goldBool, result2); const auto result3 = KE::is_partitioned(exespace(), m_strided_view, p); - EXPECT_EQ(goldBool, result3); + ASSERT_EQ(goldBool, result3); } } @@ -239,17 +211,17 @@ TEST_F(std_algorithms_partitioning_test, partition_point) { auto first1 = KE::cbegin(m_static_view); auto last1 = KE::cend(m_static_view); const auto result1 = KE::partition_point(exespace(), first1, last1, p); - EXPECT_EQ(goldIndex, result1 - first1); + ASSERT_EQ(goldIndex, result1 - first1); auto first2 = KE::cbegin(m_dynamic_view); auto last2 = KE::cend(m_dynamic_view); const auto result2 = KE::partition_point(exespace(), first2, last2, p); - EXPECT_EQ(goldIndex, result2 - first2); + ASSERT_EQ(goldIndex, result2 - first2); auto first3 = KE::cbegin(m_strided_view); auto last3 = KE::cend(m_strided_view); const auto result3 = KE::partition_point(exespace(), first3, last3, p); - EXPECT_EQ(goldIndex, result3 - first3); + ASSERT_EQ(goldIndex, result3 - first3); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemove.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemove.cpp index 8f345f044e..c35fc5c24b 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemove.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemove.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -145,12 +117,12 @@ void verify_data(ViewTypeData view_data_h, ViewTypeTest view_test, // check that returned iterators are correct const std::size_t std_diff = std_result - KE::begin(view_data_h); const std::size_t my_diff = my_result - KE::begin(view_test); - EXPECT_EQ(std_diff, my_diff); + ASSERT_EQ(std_diff, my_diff); // check the actual data after algo has been applied auto view_test_h = create_host_space_copy(view_test); for (std::size_t i = 0; i < my_diff; ++i) { - EXPECT_EQ(view_test_h(i), view_data_h[i]); + ASSERT_EQ(view_test_h(i), view_data_h[i]); // std::cout << "i= " << i << " " // << "mine: " << view_test_h(i) << " " // << "std: " << view_data_h(i) diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopy.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopy.cpp index bb7d0b52bd..3d7c52108b 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopy.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopy.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -163,12 +135,12 @@ void verify_data(ViewFromType view_from, ViewDestType view_dest, // check that returned iterators are correct const std::size_t std_diff = std_result - gold_dest_std.begin(); const std::size_t my_diff = my_result - KE::begin(view_dest); - EXPECT_EQ(std_diff, my_diff); + ASSERT_EQ(std_diff, my_diff); // check the actual data after algo has been applied auto view_dest_h = create_host_space_copy(view_dest); for (std::size_t i = 0; i < my_diff; ++i) { - EXPECT_EQ(view_dest_h(i), gold_dest_std[i]); + ASSERT_EQ(view_dest_h(i), gold_dest_std[i]); // std::cout << "i= " << i << " " // << "mine: " << view_dest_h(i) << " " // << "std: " << gold_dest_std[i] diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopyIf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopyIf.cpp index b209b88ea9..cb699aa923 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopyIf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveCopyIf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -147,12 +119,12 @@ void verify_data(ViewTypeFrom view_from, ViewTypeDest view_dest, // check that returned iterators are correct const std::size_t std_diff = std_result - gold_dest_std.begin(); const std::size_t my_diff = my_result - KE::begin(view_dest); - EXPECT_EQ(std_diff, my_diff); + ASSERT_EQ(std_diff, my_diff); // check the actual data after algo has been applied auto view_dest_h = create_host_space_copy(view_dest); for (std::size_t i = 0; i < my_diff; ++i) { - EXPECT_EQ(view_dest_h(i), gold_dest_std[i]); + ASSERT_EQ(view_dest_h(i), gold_dest_std[i]); // std::cout << "i= " << i << " " // << "mine: " << view_dest_h(i) << " " // << "std: " << gold_dest_std[i] diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveIf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveIf.cpp index f1f232369b..f06f2234ee 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveIf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRemoveIf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -140,12 +112,12 @@ void verify_data(ViewTypeData view_data_h, ViewTypeTest view_test, // check that returned iterators are correct const std::size_t std_diff = std_result - KE::begin(view_data_h); const std::size_t my_diff = my_result - KE::begin(view_test); - EXPECT_EQ(std_diff, my_diff); + ASSERT_EQ(std_diff, my_diff); // check the actual data after algo has been applied auto view_test_h = create_host_space_copy(view_test); for (std::size_t i = 0; i < my_diff; ++i) { - EXPECT_EQ(view_test_h(i), view_data_h[i]); + ASSERT_EQ(view_test_h(i), view_data_h[i]); // std::cout << "i= " << i << " " // << "mine: " << view_test_h(i) << " " // << "std: " << view_data_h(i) diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplace.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplace.cpp index f044d975a7..a22ab32d76 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplace.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplace.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -132,30 +104,30 @@ void verify_data(const std::string& name, ViewType1 test_view, } else if (name == "one-element-a") { - EXPECT_EQ(view_h(0), ValueType{1}); + ASSERT_EQ(view_h(0), ValueType{1}); } else if (name == "one-element-b") { - EXPECT_EQ(view_h(0), new_value); + ASSERT_EQ(view_h(0), new_value); } else if (name == "two-elements-a") { - EXPECT_EQ(view_h(0), ValueType{1}); - EXPECT_EQ(view_h(1), new_value); + ASSERT_EQ(view_h(0), ValueType{1}); + ASSERT_EQ(view_h(1), new_value); } else if (name == "two-elements-b") { - EXPECT_EQ(view_h(0), new_value); - EXPECT_EQ(view_h(1), ValueType{-1}); + ASSERT_EQ(view_h(0), new_value); + ASSERT_EQ(view_h(1), ValueType{-1}); } else if (name == "small-a") { for (std::size_t i = 0; i < view_h.extent(0); ++i) { if (i == 0 || i == 3 || i == 5 || i == 6) { - EXPECT_EQ(view_h(i), new_value); + ASSERT_EQ(view_h(i), new_value); } else { const auto gold = ValueType{-5} + static_cast(i + 1); - EXPECT_EQ(view_h(i), gold); + ASSERT_EQ(view_h(i), gold); } } } @@ -163,9 +135,9 @@ void verify_data(const std::string& name, ViewType1 test_view, else if (name == "small-b") { for (std::size_t i = 0; i < view_h.extent(0); ++i) { if (i < 4) { - EXPECT_EQ(view_h(i), ValueType{-1}); + ASSERT_EQ(view_h(i), ValueType{-1}); } else { - EXPECT_EQ(view_h(i), new_value); + ASSERT_EQ(view_h(i), new_value); } } } @@ -173,9 +145,9 @@ void verify_data(const std::string& name, ViewType1 test_view, else if (name == "medium" || name == "large") { for (std::size_t i = 0; i < view_h.extent(0); ++i) { if (i % 2 == 0) { - EXPECT_EQ(view_h(i), ValueType{-1}); + ASSERT_EQ(view_h(i), ValueType{-1}); } else { - EXPECT_EQ(view_h(i), new_value); + ASSERT_EQ(view_h(i), new_value); } } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopy.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopy.cpp index 682622cc13..a964ec8e17 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopy.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopy.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -140,40 +112,40 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, } else if (name == "one-element-a") { - EXPECT_EQ(view_from_h(0), ValueType{1}); - EXPECT_EQ(view_test_h(0), view_from_h(0)); + ASSERT_EQ(view_from_h(0), ValueType{1}); + ASSERT_EQ(view_test_h(0), view_from_h(0)); } else if (name == "one-element-b") { - EXPECT_EQ(view_from_h(0), ValueType{2}); - EXPECT_EQ(view_test_h(0), new_value); + ASSERT_EQ(view_from_h(0), ValueType{2}); + ASSERT_EQ(view_test_h(0), new_value); } else if (name == "two-elements-a") { - EXPECT_EQ(view_from_h(0), ValueType{1}); - EXPECT_EQ(view_from_h(1), ValueType{2}); + ASSERT_EQ(view_from_h(0), ValueType{1}); + ASSERT_EQ(view_from_h(1), ValueType{2}); - EXPECT_EQ(view_test_h(0), view_from_h(0)); - EXPECT_EQ(view_test_h(1), new_value); + ASSERT_EQ(view_test_h(0), view_from_h(0)); + ASSERT_EQ(view_test_h(1), new_value); } else if (name == "two-elements-b") { - EXPECT_EQ(view_from_h(0), ValueType{2}); - EXPECT_EQ(view_from_h(1), ValueType{-1}); + ASSERT_EQ(view_from_h(0), ValueType{2}); + ASSERT_EQ(view_from_h(1), ValueType{-1}); - EXPECT_EQ(view_test_h(0), new_value); - EXPECT_EQ(view_test_h(1), view_from_h(1)); + ASSERT_EQ(view_test_h(0), new_value); + ASSERT_EQ(view_test_h(1), view_from_h(1)); } else if (name == "small-a") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i == 0 || i == 3 || i == 5 || i == 6) { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } else { const auto gold = ValueType{-5} + static_cast(i + 1); - EXPECT_EQ(view_from_h(i), gold); - EXPECT_EQ(view_test_h(i), gold); + ASSERT_EQ(view_from_h(i), gold); + ASSERT_EQ(view_test_h(i), gold); } } } @@ -181,11 +153,11 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, else if (name == "small-b") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i < 4) { - EXPECT_EQ(view_from_h(i), ValueType{-1}); - EXPECT_EQ(view_test_h(i), view_from_h(i)); + ASSERT_EQ(view_from_h(i), ValueType{-1}); + ASSERT_EQ(view_test_h(i), view_from_h(i)); } else { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } } } @@ -193,11 +165,11 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, else if (name == "medium" || name == "large") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i % 2 == 0) { - EXPECT_EQ(view_from_h(i), ValueType{-1}); - EXPECT_EQ(view_test_h(i), view_from_h(i)); + ASSERT_EQ(view_from_h(i), ValueType{-1}); + ASSERT_EQ(view_test_h(i), view_from_h(i)); } else { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } } } @@ -230,7 +202,7 @@ void run_single_scenario(const InfoType& scenario_info) { KE::replace_copy(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), old_value, new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -243,7 +215,7 @@ void run_single_scenario(const InfoType& scenario_info) { KE::cend(view_from), KE::begin(view_dest), old_value, new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -255,7 +227,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::replace_copy(exespace(), view_from, view_dest, old_value, new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -267,7 +239,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::replace_copy("label", exespace(), view_from, view_dest, old_value, new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopyIf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopyIf.cpp index c2ba66e920..ceeba88971 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopyIf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceCopyIf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -140,40 +112,40 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, } else if (name == "one-element-a") { - EXPECT_EQ(view_from_h(0), ValueType{1}); - EXPECT_EQ(view_test_h(0), view_from_h(0)); + ASSERT_EQ(view_from_h(0), ValueType{1}); + ASSERT_EQ(view_test_h(0), view_from_h(0)); } else if (name == "one-element-b") { - EXPECT_EQ(view_from_h(0), ValueType{2}); - EXPECT_EQ(view_test_h(0), new_value); + ASSERT_EQ(view_from_h(0), ValueType{2}); + ASSERT_EQ(view_test_h(0), new_value); } else if (name == "two-elements-a") { - EXPECT_EQ(view_from_h(0), ValueType{1}); - EXPECT_EQ(view_from_h(1), ValueType{2}); + ASSERT_EQ(view_from_h(0), ValueType{1}); + ASSERT_EQ(view_from_h(1), ValueType{2}); - EXPECT_EQ(view_test_h(0), view_from_h(0)); - EXPECT_EQ(view_test_h(1), new_value); + ASSERT_EQ(view_test_h(0), view_from_h(0)); + ASSERT_EQ(view_test_h(1), new_value); } else if (name == "two-elements-b") { - EXPECT_EQ(view_from_h(0), ValueType{2}); - EXPECT_EQ(view_from_h(1), ValueType{-1}); + ASSERT_EQ(view_from_h(0), ValueType{2}); + ASSERT_EQ(view_from_h(1), ValueType{-1}); - EXPECT_EQ(view_test_h(0), new_value); - EXPECT_EQ(view_test_h(1), view_from_h(1)); + ASSERT_EQ(view_test_h(0), new_value); + ASSERT_EQ(view_test_h(1), view_from_h(1)); } else if (name == "small-a") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i == 0 || i == 3 || i == 5 || i == 6) { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } else { const auto gold = ValueType{-5} + static_cast(i + 1); - EXPECT_EQ(view_from_h(i), gold); - EXPECT_EQ(view_test_h(i), gold); + ASSERT_EQ(view_from_h(i), gold); + ASSERT_EQ(view_test_h(i), gold); } } } @@ -181,11 +153,11 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, else if (name == "small-b") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i < 4) { - EXPECT_EQ(view_from_h(i), ValueType{-1}); - EXPECT_EQ(view_test_h(i), view_from_h(i)); + ASSERT_EQ(view_from_h(i), ValueType{-1}); + ASSERT_EQ(view_test_h(i), view_from_h(i)); } else { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } } } @@ -193,11 +165,11 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, else if (name == "medium" || name == "large") { for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { if (i % 2 == 0) { - EXPECT_EQ(view_from_h(i), ValueType{-1}); - EXPECT_EQ(view_test_h(i), view_from_h(i)); + ASSERT_EQ(view_from_h(i), ValueType{-1}); + ASSERT_EQ(view_test_h(i), view_from_h(i)); } else { - EXPECT_EQ(view_from_h(i), ValueType{2}); - EXPECT_EQ(view_test_h(i), new_value); + ASSERT_EQ(view_from_h(i), ValueType{2}); + ASSERT_EQ(view_test_h(i), new_value); } } } @@ -237,7 +209,7 @@ void run_single_scenario(const InfoType& scenario_info) { KE::cend(view_from), KE::begin(view_dest), pred_type(), new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -248,7 +220,7 @@ void run_single_scenario(const InfoType& scenario_info) { KE::cend(view_from), KE::begin(view_dest), pred_type(), new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -258,7 +230,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::replace_copy_if(exespace(), view_from, view_dest, pred_type(), new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -268,7 +240,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto rit = KE::replace_copy_if("label", exespace(), view_from, view_dest, pred_type(), new_value); verify_data(name, view_from, view_dest, new_value); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceIf.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceIf.cpp index 7237e29555..802c0093c5 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceIf.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReplaceIf.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -166,7 +138,7 @@ void verify_data(ViewType1 data_view, // contains data // << data_view_dc(i) << " " // << data_view_h(i) << " " // << test_view_h(i) << std::endl; - EXPECT_EQ(data_view_h(i), test_view_h(i)); + ASSERT_EQ(data_view_h(i), test_view_h(i)); } } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReverse.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReverse.cpp index f8c81dc105..6e6ca72783 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReverse.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsReverse.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -105,7 +77,7 @@ void verify_data(ViewType1 test_view, ViewType2 orig_view) { const std::size_t ext = test_view.extent(0); for (std::size_t i = 0; i < ext; ++i) { - EXPECT_EQ(tv_h(i), ov_h(ext - i - 1)); + ASSERT_EQ(tv_h(i), ov_h(ext - i - 1)); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotate.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotate.cpp index bbf273970e..5638cbee4a 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotate.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotate.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -164,13 +136,13 @@ void verify_data(ResultIt result_it, ViewType view, ViewHostType data_view_host, // make sure results match const auto my_diff = result_it - KE::begin(view); const auto std_diff = std_rit - KE::begin(data_view_host); - EXPECT_EQ(my_diff, std_diff); + ASSERT_EQ(my_diff, std_diff); // check views match auto view_h = create_host_space_copy(view); const std::size_t ext = view_h.extent(0); for (std::size_t i = 0; i < ext; ++i) { - EXPECT_EQ(view_h(i), data_view_host[i]); + ASSERT_EQ(view_h(i), data_view_host[i]); // std::cout << "i= " << i << " " // << "mine: " << view_h(i) << " " // << "std: " << data_view_host(i) diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotateCopy.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotateCopy.cpp index 2012fde008..d0caca7cea 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotateCopy.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsRotateCopy.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -167,7 +139,7 @@ void verify_data(ViewTypeFrom view_from, ViewTypeTest view_test, std_gold_h.begin()); for (std::size_t i = 0; i < ext; ++i) { - EXPECT_EQ(view_test_h(i), std_gold_h[i]); + ASSERT_EQ(view_test_h(i), std_gold_h[i]); // std::cout << "i= " << i << " " // << "from: " << view_from_h(i) << " " // << "mine: " << view_test_h(i) << " " @@ -205,7 +177,7 @@ void run_single_scenario(const InfoType& scenario_info, auto rit = KE::rotate_copy(exespace(), KE::cbegin(view_from), n_it, KE::cend(view_from), KE::begin(view_dest)); verify_data(view_from, view_dest, rotation_point); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -215,7 +187,7 @@ void run_single_scenario(const InfoType& scenario_info, auto rit = KE::rotate_copy("label", exespace(), KE::cbegin(view_from), n_it, KE::cend(view_from), KE::begin(view_dest)); verify_data(view_from, view_dest, rotation_point); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -224,7 +196,7 @@ void run_single_scenario(const InfoType& scenario_info, auto rit = KE::rotate_copy(exespace(), view_from, rotation_point, view_dest); verify_data(view_from, view_dest, rotation_point); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } { @@ -233,7 +205,7 @@ void run_single_scenario(const InfoType& scenario_info, auto rit = KE::rotate_copy("label", exespace(), view_from, rotation_point, view_dest); verify_data(view_from, view_dest, rotation_point); - EXPECT_EQ(rit, (KE::begin(view_dest) + view_ext)); + ASSERT_EQ(rit, (KE::begin(view_dest) + view_ext)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch.cpp index e57385a8be..021609c444 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -287,7 +259,7 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, KE::cbegin(s_view), KE::cend(s_view), args...); const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { @@ -296,21 +268,21 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t seq_ext, KE::cbegin(s_view), KE::cend(s_view), args...); const auto mydiff = myrit - KE::cbegin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::search(exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::search("label", exespace(), view, s_view, args...); const auto mydiff = myrit - KE::begin(view); const auto stddiff = stdrit - KE::cbegin(view_h); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch_n.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch_n.cpp index 31446046a5..53ad8daa2e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch_n.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsSearch_n.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -231,26 +203,26 @@ void run_single_scenario(const InfoType& scenario_info, std::size_t count, auto myrit = KE::search_n(exespace(), KE::cbegin(view), KE::cend(view), count, value, args...); const auto mydiff = myrit - KE::cbegin(view); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::search_n("label", exespace(), KE::cbegin(view), KE::cend(view), count, value, args...); const auto mydiff = myrit - KE::cbegin(view); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::search_n("label", exespace(), view, count, value, args...); const auto mydiff = myrit - KE::begin(view); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } { auto myrit = KE::search_n(exespace(), view, count, value, args...); const auto mydiff = myrit - KE::begin(view); - EXPECT_EQ(mydiff, stddiff); + ASSERT_EQ(mydiff, stddiff); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftLeft.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftLeft.cpp index 0c97f255e9..0b5fe9216e 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftLeft.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftLeft.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -131,12 +103,12 @@ void verify_data(ResultIt result_it, ViewType view, ViewHostType data_view_host, // make sure results match const auto my_diff = result_it - KE::begin(view); const auto std_diff = std_rit - KE::begin(data_view_host); - EXPECT_EQ(my_diff, std_diff); + ASSERT_EQ(my_diff, std_diff); // check views match auto view_h = create_host_space_copy(view); for (std::size_t i = 0; i < (std::size_t)my_diff; ++i) { - EXPECT_EQ(view_h(i), data_view_host[i]); + ASSERT_EQ(view_h(i), data_view_host[i]); // std::cout << "i= " << i << " " // << "mine: " << view_h(i) << " " // << "std: " << data_view_host(i) diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftRight.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftRight.cpp index d8aa350f1d..8e4ae94375 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftRight.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsShiftRight.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -129,14 +101,14 @@ void verify_data(ResultIt result_it, ViewType view, ViewHostType data_view_host, // make sure results match const auto my_diff = KE::end(view) - result_it; const auto std_diff = KE::end(data_view_host) - std_rit; - EXPECT_EQ(my_diff, std_diff); + ASSERT_EQ(my_diff, std_diff); // check views match auto view_h = create_host_space_copy(view); auto it1 = KE::cbegin(view_h); auto it2 = KE::cbegin(data_view_host); for (std::size_t i = 0; i < (std::size_t)my_diff; ++i) { - EXPECT_EQ(it1[i], it2[i]); + ASSERT_EQ(it1[i], it2[i]); // std::cout << "i= " << i << " " // << "mine: " << it1[i] << " " // << "std: " << it2[i] diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformExclusiveScan.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformExclusiveScan.cpp index e415eff06c..75525b3b0f 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformExclusiveScan.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformExclusiveScan.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -193,7 +165,7 @@ void verify_data(ViewType1 data_view, // contains data // << std::abs(gold_h(i) - test_view_h(i)) << std::endl; if (std::is_same::value) { - EXPECT_EQ(gold_h(i), test_view_h(i)); + ASSERT_EQ(gold_h(i), test_view_h(i)); } else { const auto error = std::abs(gold_h(i) - test_view_h(i)); if (error > 1e-10) { @@ -249,7 +221,7 @@ void run_single_scenario(const InfoType& scenario_info, ValueType init_value, auto r = KE::transform_exclusive_scan( exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value, bop, uop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop, uop); } @@ -258,7 +230,7 @@ void run_single_scenario(const InfoType& scenario_info, ValueType init_value, auto r = KE::transform_exclusive_scan( "label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), init_value, bop, uop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop, uop); } @@ -266,7 +238,7 @@ void run_single_scenario(const InfoType& scenario_info, ValueType init_value, fill_zero(view_dest); auto r = KE::transform_exclusive_scan(exespace(), view_from, view_dest, init_value, bop, uop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop, uop); } @@ -274,7 +246,7 @@ void run_single_scenario(const InfoType& scenario_info, ValueType init_value, fill_zero(view_dest); auto r = KE::transform_exclusive_scan("label", exespace(), view_from, view_dest, init_value, bop, uop); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, init_value, bop, uop); } @@ -307,6 +279,59 @@ TEST(std_algorithms_numeric_ops_test, transform_exclusive_scan) { } #endif +template +struct MultiplyFunctor { + KOKKOS_INLINE_FUNCTION + ValueType operator()(const ValueType& a, const ValueType& b) const { + return (a * b); + } +}; + +TEST(std_algorithms_numeric_ops_test, transform_exclusive_scan_functor) { + int dummy = 0; + using view_type = Kokkos::View; + view_type dummy_view("dummy_view", 0); + using unary_op_type = + Kokkos::Experimental::Impl::StdNumericScanIdentityReferenceUnaryFunctor< + int>; + using functor_type = + Kokkos::Experimental::Impl::TransformExclusiveScanFunctor< + exespace, int, int, view_type, view_type, MultiplyFunctor, + unary_op_type>; + functor_type functor(dummy, dummy_view, dummy_view, {}, {}); + using value_type = functor_type::value_type; + + value_type value1; + functor.init(value1); + ASSERT_EQ(value1.val, 0); + ASSERT_EQ(value1.is_initial, true); + + value_type value2; + value2.val = 1; + value2.is_initial = false; + functor.join(value1, value2); + ASSERT_EQ(value1.val, 1); + ASSERT_EQ(value1.is_initial, false); + + functor.init(value1); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 1); + ASSERT_EQ(value2.is_initial, false); + + functor.init(value2); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 0); + ASSERT_EQ(value2.is_initial, true); + + value1.val = 3; + value1.is_initial = false; + value2.val = 2; + value2.is_initial = false; + functor.join(value2, value1); + ASSERT_EQ(value2.val, 6); + ASSERT_EQ(value2.is_initial, false); +} + } // namespace TransformEScan } // namespace stdalgos } // namespace Test diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformInclusiveScan.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformInclusiveScan.cpp index 21ce01fb10..5d122ac5e8 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformInclusiveScan.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformInclusiveScan.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -205,7 +177,7 @@ void verify_data(ViewType1 data_view, // contains data // << std::abs(gold_h(i) - test_view_h(i)) << std::endl; if (std::is_same::value) { - EXPECT_EQ(gold_h(i), test_view_h(i)); + ASSERT_EQ(gold_h(i), test_view_h(i)); } else { const auto error = std::abs(gold_h(i) - test_view_h(i)); if (error > 1e-10) { @@ -274,7 +246,7 @@ void run_single_scenario(const InfoType& scenario_info, auto r = KE::transform_inclusive_scan(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, args...); } @@ -283,7 +255,7 @@ void run_single_scenario(const InfoType& scenario_info, auto r = KE::transform_inclusive_scan( "label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, args...); } @@ -291,7 +263,7 @@ void run_single_scenario(const InfoType& scenario_info, fill_zero(view_dest); auto r = KE::transform_inclusive_scan(exespace(), view_from, view_dest, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, args...); } @@ -299,7 +271,7 @@ void run_single_scenario(const InfoType& scenario_info, fill_zero(view_dest); auto r = KE::transform_inclusive_scan("label", exespace(), view_from, view_dest, args...); - EXPECT_EQ(r, KE::end(view_dest)); + ASSERT_EQ(r, KE::end(view_dest)); verify_data(view_from, view_dest, args...); } @@ -334,6 +306,73 @@ TEST(std_algorithms_numeric_ops_test, transform_inclusive_scan) { } #endif +template +struct MultiplyFunctor { + KOKKOS_INLINE_FUNCTION + ValueType operator()(const ValueType& a, const ValueType& b) const { + return (a * b); + } +}; + +TEST(std_algorithms_numeric_ops_test, transform_inclusive_scan_functor) { + using value_type = KE::Impl::ValueWrapperForNoNeutralElement; + + auto test_lambda = [&](auto& functor) { + value_type value1; + functor.init(value1); + ASSERT_EQ(value1.val, 0); + ASSERT_EQ(value1.is_initial, true); + + value_type value2; + value2.val = 1; + value2.is_initial = false; + functor.join(value1, value2); + ASSERT_EQ(value1.val, 1); + ASSERT_EQ(value1.is_initial, false); + + functor.init(value1); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 1); + ASSERT_EQ(value2.is_initial, false); + + functor.init(value2); + functor.join(value2, value1); + ASSERT_EQ(value2.val, 0); + ASSERT_EQ(value2.is_initial, true); + + value1.val = 3; + value1.is_initial = false; + value2.val = 2; + value2.is_initial = false; + functor.join(value2, value1); + ASSERT_EQ(value2.val, 6); + ASSERT_EQ(value2.is_initial, false); + }; + + int dummy = 0; + using view_type = Kokkos::View; + view_type dummy_view("dummy_view", 0); + using unary_op_type = + KE::Impl::StdNumericScanIdentityReferenceUnaryFunctor; + { + using functor_type = KE::Impl::TransformInclusiveScanNoInitValueFunctor< + exespace, int, int, view_type, view_type, MultiplyFunctor, + unary_op_type>; + functor_type functor(dummy_view, dummy_view, {}, {}); + + test_lambda(functor); + } + + { + using functor_type = KE::Impl::TransformInclusiveScanWithInitValueFunctor< + exespace, int, int, view_type, view_type, MultiplyFunctor, + unary_op_type>; + functor_type functor(dummy_view, dummy_view, {}, {}, dummy); + + test_lambda(functor); + } +} + } // namespace TransformIncScan } // namespace stdalgos } // namespace Test diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformUnaryOp.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformUnaryOp.cpp index 35c293adcf..6070c1a60d 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformUnaryOp.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsTransformUnaryOp.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -86,7 +58,7 @@ void verify_data(ViewTypeFrom view_from, ViewTypeTest view_test) { create_mirror_view_and_copy(Kokkos::HostSpace(), view_from_dc); for (std::size_t i = 0; i < view_test_h.extent(0); ++i) { - EXPECT_EQ(view_test_h(i), view_from_h(i) + value_type(1)); + ASSERT_EQ(view_test_h(i), view_from_h(i) + value_type(1)); } } @@ -117,7 +89,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto r1 = KE::transform(exespace(), KE::begin(view_from), KE::end(view_from), KE::begin(view_dest), unOp); verify_data(view_from, view_dest); - EXPECT_EQ(r1, KE::end(view_dest)); + ASSERT_EQ(r1, KE::end(view_dest)); } { @@ -126,7 +98,7 @@ void run_single_scenario(const InfoType& scenario_info) { auto r1 = KE::transform("label", exespace(), KE::begin(view_from), KE::end(view_from), KE::begin(view_dest), unOp); verify_data(view_from, view_dest); - EXPECT_EQ(r1, KE::end(view_dest)); + ASSERT_EQ(r1, KE::end(view_dest)); } { @@ -134,7 +106,7 @@ void run_single_scenario(const InfoType& scenario_info) { create_view(Tag{}, view_ext, "transform_uop_dest"); auto r1 = KE::transform(exespace(), view_from, view_dest, unOp); verify_data(view_from, view_dest); - EXPECT_EQ(r1, KE::end(view_dest)); + ASSERT_EQ(r1, KE::end(view_dest)); } { @@ -142,7 +114,7 @@ void run_single_scenario(const InfoType& scenario_info) { create_view(Tag{}, view_ext, "transform_uop_dest"); auto r1 = KE::transform("label", exespace(), view_from, view_dest, unOp); verify_data(view_from, view_dest); - EXPECT_EQ(r1, KE::end(view_dest)); + ASSERT_EQ(r1, KE::end(view_dest)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUnique.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUnique.cpp index 88dd4d2599..9c5ae0cf8a 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUnique.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUnique.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -185,7 +157,7 @@ void verify_data(const std::string& name, ResultIt my_result_it, // const auto std_diff = (std::size_t)(std_r - KE::begin(data_v_h)); const auto my_diff = (std::size_t)(my_result_it - KE::begin(view_test)); - EXPECT_EQ(my_diff, std_diff); + ASSERT_EQ(my_diff, std_diff); // // check the data in the view @@ -198,14 +170,14 @@ void verify_data(const std::string& name, ResultIt my_result_it, // << " my = " << view_test_h(i) << " " // << " std = " << data_v_h(i) // << '\n'; - EXPECT_EQ(view_test_h(i), data_v_h(i)); + ASSERT_EQ(view_test_h(i), data_v_h(i)); } if (name == "medium-b") { using value_type = typename ViewType1::value_type; - EXPECT_EQ(my_diff, (std::size_t)2); - EXPECT_EQ(view_test_h(0), (value_type)22); - EXPECT_EQ(view_test_h(1), (value_type)44); + ASSERT_EQ(my_diff, (std::size_t)2); + ASSERT_EQ(view_test_h(0), (value_type)22); + ASSERT_EQ(view_test_h(1), (value_type)44); } } diff --git a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUniqueCopy.cpp b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUniqueCopy.cpp index fdede95170..3cf43ad4db 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUniqueCopy.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdAlgorithmsUniqueCopy.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include @@ -202,51 +174,51 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, } else if (name == "one-element-a") { - EXPECT_EQ(view_test_h(0), static_cast(1)); + ASSERT_EQ(view_test_h(0), static_cast(1)); } else if (name == "one-element-b") { - EXPECT_EQ(view_test_h(0), static_cast(2)); + ASSERT_EQ(view_test_h(0), static_cast(2)); } else if (name == "two-elements-a") { - EXPECT_EQ(view_test_h(0), static_cast(1)); - EXPECT_EQ(view_test_h(1), static_cast(2)); + ASSERT_EQ(view_test_h(0), static_cast(1)); + ASSERT_EQ(view_test_h(1), static_cast(2)); } else if (name == "two-elements-b") { - EXPECT_EQ(view_test_h(0), static_cast(2)); - EXPECT_EQ(view_test_h(1), static_cast(-1)); + ASSERT_EQ(view_test_h(0), static_cast(2)); + ASSERT_EQ(view_test_h(1), static_cast(-1)); } else if (name == "small-a") { - EXPECT_EQ(view_test_h(0), static_cast(0)); - EXPECT_EQ(view_test_h(1), static_cast(1)); - EXPECT_EQ(view_test_h(2), static_cast(2)); - EXPECT_EQ(view_test_h(3), static_cast(3)); - EXPECT_EQ(view_test_h(4), static_cast(4)); - EXPECT_EQ(view_test_h(5), static_cast(5)); - EXPECT_EQ(view_test_h(6), static_cast(6)); - EXPECT_EQ(view_test_h(7), static_cast(0)); - EXPECT_EQ(view_test_h(8), static_cast(0)); - EXPECT_EQ(view_test_h(9), static_cast(0)); - EXPECT_EQ(view_test_h(10), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(0)); + ASSERT_EQ(view_test_h(1), static_cast(1)); + ASSERT_EQ(view_test_h(2), static_cast(2)); + ASSERT_EQ(view_test_h(3), static_cast(3)); + ASSERT_EQ(view_test_h(4), static_cast(4)); + ASSERT_EQ(view_test_h(5), static_cast(5)); + ASSERT_EQ(view_test_h(6), static_cast(6)); + ASSERT_EQ(view_test_h(7), static_cast(0)); + ASSERT_EQ(view_test_h(8), static_cast(0)); + ASSERT_EQ(view_test_h(9), static_cast(0)); + ASSERT_EQ(view_test_h(10), static_cast(0)); } else if (name == "small-b") { - EXPECT_EQ(view_test_h(0), static_cast(1)); - EXPECT_EQ(view_test_h(1), static_cast(2)); - EXPECT_EQ(view_test_h(2), static_cast(3)); - EXPECT_EQ(view_test_h(3), static_cast(4)); - EXPECT_EQ(view_test_h(4), static_cast(5)); - EXPECT_EQ(view_test_h(5), static_cast(6)); - EXPECT_EQ(view_test_h(6), static_cast(8)); - EXPECT_EQ(view_test_h(7), static_cast(9)); - EXPECT_EQ(view_test_h(8), static_cast(8)); - EXPECT_EQ(view_test_h(9), static_cast(0)); - EXPECT_EQ(view_test_h(10), static_cast(0)); - EXPECT_EQ(view_test_h(11), static_cast(0)); - EXPECT_EQ(view_test_h(12), static_cast(0)); + ASSERT_EQ(view_test_h(0), static_cast(1)); + ASSERT_EQ(view_test_h(1), static_cast(2)); + ASSERT_EQ(view_test_h(2), static_cast(3)); + ASSERT_EQ(view_test_h(3), static_cast(4)); + ASSERT_EQ(view_test_h(4), static_cast(5)); + ASSERT_EQ(view_test_h(5), static_cast(6)); + ASSERT_EQ(view_test_h(6), static_cast(8)); + ASSERT_EQ(view_test_h(7), static_cast(9)); + ASSERT_EQ(view_test_h(8), static_cast(8)); + ASSERT_EQ(view_test_h(9), static_cast(0)); + ASSERT_EQ(view_test_h(10), static_cast(0)); + ASSERT_EQ(view_test_h(11), static_cast(0)); + ASSERT_EQ(view_test_h(12), static_cast(0)); } else if (name == "medium" || name == "large") { @@ -258,7 +230,7 @@ void verify_data(const std::string& name, ViewTypeFrom view_from, (void)std_r; for (std::size_t i = 0; i < view_from_h.extent(0); ++i) { - EXPECT_EQ(view_test_h(i), tmp[i]); + ASSERT_EQ(view_test_h(i), tmp[i]); } } @@ -301,7 +273,7 @@ void run_single_scenario(const InfoType& scenario_info, Args... args) { KE::unique_copy(exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); verify_data(name, view_from, view_dest, args...); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -311,7 +283,7 @@ void run_single_scenario(const InfoType& scenario_info, Args... args) { KE::unique_copy("label", exespace(), KE::cbegin(view_from), KE::cend(view_from), KE::begin(view_dest), args...); verify_data(name, view_from, view_dest, args...); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -319,7 +291,7 @@ void run_single_scenario(const InfoType& scenario_info, Args... args) { create_view(Tag{}, view_ext, "unique_copy_dest"); auto rit = KE::unique_copy(exespace(), view_from, view_dest, args...); verify_data(name, view_from, view_dest, args...); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } { @@ -328,7 +300,7 @@ void run_single_scenario(const InfoType& scenario_info, Args... args) { auto rit = KE::unique_copy("label", exespace(), view_from, view_dest, args...); verify_data(name, view_from, view_dest, args...); - EXPECT_EQ(rit, (KE::begin(view_dest) + n)); + ASSERT_EQ(rit, (KE::begin(view_dest) + n)); } Kokkos::fence(); diff --git a/lib/kokkos/algorithms/unit_tests/TestStdReducers.cpp b/lib/kokkos/algorithms/unit_tests/TestStdReducers.cpp index a88860749c..3847e1e6a3 100644 --- a/lib/kokkos/algorithms/unit_tests/TestStdReducers.cpp +++ b/lib/kokkos/algorithms/unit_tests/TestStdReducers.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/algorithms/unit_tests/UnitTestMain.cpp b/lib/kokkos/algorithms/unit_tests/UnitTestMain.cpp index e245aad35f..11a1cb717a 100644 --- a/lib/kokkos/algorithms/unit_tests/UnitTestMain.cpp +++ b/lib/kokkos/algorithms/unit_tests/UnitTestMain.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/appveyor.yml b/lib/kokkos/appveyor.yml index e63fec718a..ceb33bf441 100644 --- a/lib/kokkos/appveyor.yml +++ b/lib/kokkos/appveyor.yml @@ -5,6 +5,6 @@ build_script: - cmd: >- mkdir build && cd build && - cmake c:\projects\source -DKokkos_ENABLE_TESTS=ON -DCMAKE_CXX_FLAGS="/W0 /EHsc" -DKokkos_ENABLE_DEPRECATED_CODE_3=ON -DKokkos_ENABLE_DEPRECATION_WARNINGS=OFF -DKokkos_ARCH_NATIVE=ON && + cmake c:\projects\source -DKokkos_ENABLE_TESTS=ON -DKokkos_ENABLE_BENCHMARKS=ON -DCMAKE_CXX_FLAGS="/W0 /EHsc" -DKokkos_ENABLE_DEPRECATED_CODE_4=ON -DKokkos_ENABLE_DEPRECATION_WARNINGS=OFF && cmake --build . --target install && ctest -C Debug --output-on-failure diff --git a/lib/kokkos/benchmarks/atomic/main.cpp b/lib/kokkos/benchmarks/atomic/main.cpp index 6e32c6fe64..af1b96f27d 100644 --- a/lib/kokkos/benchmarks/atomic/main.cpp +++ b/lib/kokkos/benchmarks/atomic/main.cpp @@ -1,3 +1,19 @@ +//@HEADER +// ************************************************************************ +// +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering +// Solutions of Sandia, LLC (NTESS). +// +// Under the terms of Contract DE-NA0003525 with NTESS, +// the U.S. Government retains certain rights in this software. +// +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception +// +//@HEADER + #include #include #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench.hpp b/lib/kokkos/benchmarks/bytes_and_flops/bench.hpp index be190e868e..2589fd7309 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench.hpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_double.cpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_double.cpp index 73ad21b05c..f955c99666 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_double.cpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_double.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_float.cpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_float.cpp index 3964df3fa8..137ff67d40 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_float.cpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_float.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_int32_t.cpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_int32_t.cpp index d63c308077..29ccec0141 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_int32_t.cpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_int32_t.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_int64_t.cpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_int64_t.cpp index 51a31b16f0..c153d5eff3 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_int64_t.cpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_int64_t.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_stride.hpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_stride.hpp index c29f2a18c3..b63d486fc9 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_stride.hpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_stride.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #define UNROLL 1 #include diff --git a/lib/kokkos/benchmarks/bytes_and_flops/bench_unroll_stride.hpp b/lib/kokkos/benchmarks/bytes_and_flops/bench_unroll_stride.hpp index 58bf17b0bb..0f7a298c1b 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/bench_unroll_stride.hpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/bench_unroll_stride.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ template struct Run { @@ -66,25 +38,25 @@ struct Run { Scalar a1 = A(n, i, 0); const Scalar b = B(n, i, 0); #if (UNROLL > 1) - Scalar a2 = a1 * 1.3; + Scalar a2 = a1 * static_cast(1.3); #endif #if (UNROLL > 2) - Scalar a3 = a2 * 1.1; + Scalar a3 = a2 * static_cast(1.1); #endif #if (UNROLL > 3) - Scalar a4 = a3 * 1.1; + Scalar a4 = a3 * static_cast(1.1); #endif #if (UNROLL > 4) - Scalar a5 = a4 * 1.3; + Scalar a5 = a4 * static_cast(1.3); #endif #if (UNROLL > 5) - Scalar a6 = a5 * 1.1; + Scalar a6 = a5 * static_cast(1.1); #endif #if (UNROLL > 6) - Scalar a7 = a6 * 1.1; + Scalar a7 = a6 * static_cast(1.1); #endif #if (UNROLL > 7) - Scalar a8 = a7 * 1.1; + Scalar a8 = a7 * static_cast(1.1); #endif for (int f = 0; f < F; f++) { diff --git a/lib/kokkos/benchmarks/bytes_and_flops/main.cpp b/lib/kokkos/benchmarks/bytes_and_flops/main.cpp index b26b8ef5ed..20077757d1 100644 --- a/lib/kokkos/benchmarks/bytes_and_flops/main.cpp +++ b/lib/kokkos/benchmarks/bytes_and_flops/main.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/benchmarks/gather/gather.hpp b/lib/kokkos/benchmarks/gather/gather.hpp index 239614184b..d83461702c 100644 --- a/lib/kokkos/benchmarks/gather/gather.hpp +++ b/lib/kokkos/benchmarks/gather/gather.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ template struct RunGather { diff --git a/lib/kokkos/benchmarks/gather/gather_unroll.hpp b/lib/kokkos/benchmarks/gather/gather_unroll.hpp index 4dc046f99c..5ee5742a3f 100644 --- a/lib/kokkos/benchmarks/gather/gather_unroll.hpp +++ b/lib/kokkos/benchmarks/gather/gather_unroll.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/benchmarks/gather/main.cpp b/lib/kokkos/benchmarks/gather/main.cpp index dd502faaa4..7f4fc9ede6 100644 --- a/lib/kokkos/benchmarks/gather/main.cpp +++ b/lib/kokkos/benchmarks/gather/main.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include diff --git a/lib/kokkos/benchmarks/gups/gups-kokkos.cpp b/lib/kokkos/benchmarks/gups/gups-kokkos.cpp index 5a3ad23800..97c339d09d 100644 --- a/lib/kokkos/benchmarks/gups/gups-kokkos.cpp +++ b/lib/kokkos/benchmarks/gups/gups-kokkos.cpp @@ -1,44 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// ************************************************************************ //@HEADER -*/ #include "Kokkos_Core.hpp" #include diff --git a/lib/kokkos/benchmarks/policy_performance/main.cpp b/lib/kokkos/benchmarks/policy_performance/main.cpp index da49cdb019..28cfde552a 100644 --- a/lib/kokkos/benchmarks/policy_performance/main.cpp +++ b/lib/kokkos/benchmarks/policy_performance/main.cpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include #include "policy_perf_test.hpp" diff --git a/lib/kokkos/benchmarks/policy_performance/policy_perf_test.hpp b/lib/kokkos/benchmarks/policy_performance/policy_perf_test.hpp index 8e6cd7447d..cc2cc40257 100644 --- a/lib/kokkos/benchmarks/policy_performance/policy_perf_test.hpp +++ b/lib/kokkos/benchmarks/policy_performance/policy_perf_test.hpp @@ -1,46 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// Questions? Contact Christian R. Trott (crtrott@sandia.gov) -// -// ************************************************************************ //@HEADER -*/ #include diff --git a/lib/kokkos/benchmarks/stream/stream-kokkos.cpp b/lib/kokkos/benchmarks/stream/stream-kokkos.cpp index 311947c197..24c598ffad 100644 --- a/lib/kokkos/benchmarks/stream/stream-kokkos.cpp +++ b/lib/kokkos/benchmarks/stream/stream-kokkos.cpp @@ -1,44 +1,18 @@ -/* //@HEADER // ************************************************************************ // -// Kokkos v. 3.0 -// Copyright (2020) National Technology & Engineering +// Kokkos v. 4.0 +// Copyright (2022) National Technology & Engineering // Solutions of Sandia, LLC (NTESS). // // Under the terms of Contract DE-NA0003525 with NTESS, // the U.S. Government retains certain rights in this software. // -// Redistribution and use in source and binary forms, with or without -// modification, are permitted provided that the following conditions are -// met: +// Part of Kokkos, under the Apache License v2.0 with LLVM Exceptions. +// See https://kokkos.org/LICENSE for license information. +// SPDX-License-Identifier: Apache-2.0 WITH LLVM-exception // -// 1. Redistributions of source code must retain the above copyright -// notice, this list of conditions and the following disclaimer. -// -// 2. Redistributions in binary form must reproduce the above copyright -// notice, this list of conditions and the following disclaimer in the -// documentation and/or other materials provided with the distribution. -// -// 3. Neither the name of the Corporation nor the names of the -// contributors may be used to endorse or promote products derived from -// this software without specific prior written permission. -// -// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY -// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR -// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE -// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, -// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, -// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR -// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF -// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING -// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS -// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -// -// ************************************************************************ //@HEADER -*/ #include "Kokkos_Core.hpp" #include diff --git a/lib/kokkos/bin/hpcbind b/lib/kokkos/bin/hpcbind index 9da3d99469..b6db270128 100755 --- a/lib/kokkos/bin/hpcbind +++ b/lib/kokkos/bin/hpcbind @@ -36,8 +36,14 @@ fi ################################################################################ declare -i HPCBIND_HAS_NVIDIA=0 type nvidia-smi >/dev/null 2>&1 -HPCBIND_HAS_NVIDIA=$((!$?)) +HPCBIND_HAS_NVIDIA=$((! $?)) +################################################################################ +# Check if rocm-smi exist +################################################################################ +declare -i HPCBIND_HAS_AMD=0 +type rocm-smi >/dev/null 2>&1 +HPCBIND_HAS_AMD=$((! $?)) ################################################################################ # Get visible gpu @@ -45,11 +51,30 @@ HPCBIND_HAS_NVIDIA=$((!$?)) declare -i NUM_GPUS=0 HPCBIND_VISIBLE_GPUS="" if [[ ${HPCBIND_HAS_NVIDIA} -eq 1 ]]; then - NUM_GPUS=$(nvidia-smi -L | wc -l); - HPCBIND_HAS_NVIDIA=$((!$?)) + nvidia-smi >/dev/null 2>&1 + HPCBIND_HAS_NVIDIA=$((! $?)) if [[ ${HPCBIND_HAS_NVIDIA} -eq 1 ]]; then - GPU_LIST="$( seq 0 $((NUM_GPUS-1)) )" - HPCBIND_VISIBLE_GPUS=${CUDA_VISIBLE_DEVICES:-${GPU_LIST}} + NUM_GPUS=$(nvidia-smi -L | wc -l); + HPCBIND_HAS_NVIDIA=$((! $?)) + if [[ ${HPCBIND_HAS_NVIDIA} -eq 1 ]]; then + GPU_LIST="$( seq 0 $((NUM_GPUS-1)) )" + HPCBIND_VISIBLE_GPUS=${CUDA_VISIBLE_DEVICES:-${GPU_LIST}} + fi + fi +fi + +if [[ ${HPCBIND_HAS_AMD} -eq 1 ]]; then + # rocm-smi doesn't have an error code if there is no hardware + # check for /sys/module/amdgpu/initstate instead + stat /sys/module/amdgpu/initstate >/dev/null 2>&1 + HPCBIND_HAS_AMD=$((! $?)) + if [[ ${HPCBIND_HAS_AMD} -eq 1 ]]; then + NUM_GPUS=$(rocm-smi -i --csv | sed '/^$/d' | tail -n +2 | wc -l); + HPCBIND_HAS_AMD=$((! $?)) + if [[ ${HPCBIND_HAS_AMD} -eq 1 ]]; then + GPU_LIST="$( seq 0 $((NUM_GPUS-1)) )" + HPCBIND_VISIBLE_GPUS=${ROCR_VISIBLE_DEVICES:-${GPU_LIST}} + fi fi fi @@ -80,7 +105,7 @@ elif [[ ! -z "${MV2_COMM_WORLD_RANK}" ]]; then HPCBIND_QUEUE_NAME="mvapich2" HPCBIND_QUEUE_RANK=${MV2_COMM_WORLD_RANK} HPCBIND_QUEUE_SIZE=${MV2_COMM_WORLD_SIZE} -elif [[ ! -z "${SLURM_LOCAL_ID}" ]]; then +elif [[ ! -z "${SLURM_LOCALID}" ]]; then HPCBIND_QUEUE_MAPPING=1 HPCBIND_QUEUE_NAME="slurm" HPCBIND_QUEUE_RANK=${SLURM_PROCID} @@ -101,8 +126,8 @@ fi function show_help { local cmd=$(basename "$0") echo "Usage: ${cmd} -- command ..." - echo " Set the process mask, OMP environment variables and CUDA environment" - echo " variables to sane values if possible. Uses hwloc and nvidia-smi if" + echo " Set the process mask, OMP environment variables and CUDA/ROCm environment" + echo " variables to sane values if possible. Uses hwloc and nvidia-smi/rocm-smi if" echo " available. Will preserve the current process binding, so it is safe" echo " to use with a queuing system or mpiexec." echo "" @@ -116,10 +141,10 @@ function show_help { echo " --distribute-partition=I" echo " Use the i'th partition (zero based)" echo " --visible-gpus= Comma separated list of gpu ids" - echo " Default: CUDA_VISIBLE_DEVICES or all gpus in" + echo " Default: CUDA_VISIBLE_DEVICES/ROCR_VISIBLE_DEVICES or all gpus in" echo " sequential order" echo " --ignore-queue Ignore queue job id when choosing visible GPU and partition" - echo " --no-gpu-mapping Do not set CUDA_VISIBLE_DEVICES" + echo " --no-gpu-mapping Do not set CUDA_VISIBLE_DEVICES/ROCR_VISIBLE_DEVICES" echo " --openmp=M.m Set env variables for the given OpenMP version" echo " Default: 4.0" echo " --openmp-ratio=N/D Ratio of the cpuset to use for OpenMP" @@ -525,13 +550,24 @@ fi ################################################################################ if [[ ${HPCBIND_ENABLE_GPU_MAPPING} -eq 1 ]]; then - if [[ ${HPCBIND_QUEUE_MAPPING} -eq 0 ]]; then - declare -i GPU_ID=$((HPCBIND_PARTITION % NUM_GPUS)) - export CUDA_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" - else - declare -i MY_TASK_ID=$((HPCBIND_QUEUE_RANK * HPCBIND_DISTRIBUTE + HPCBIND_PARTITION)) - declare -i GPU_ID=$((MY_TASK_ID % NUM_GPUS)) - export CUDA_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" + if [[ ${HPCBIND_HAS_NVIDIA} -eq 1 ]]; then + if [[ ${HPCBIND_QUEUE_MAPPING} -eq 0 ]]; then + declare -i GPU_ID=$((HPCBIND_PARTITION % NUM_GPUS)) + export CUDA_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" + else + declare -i MY_TASK_ID=$((HPCBIND_QUEUE_RANK * HPCBIND_DISTRIBUTE + HPCBIND_PARTITION)) + declare -i GPU_ID=$((MY_TASK_ID % NUM_GPUS)) + export CUDA_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" + fi + elif [[ ${HPCBIND_HAS_AMD} -eq 1 ]]; then + if [[ ${HPCBIND_QUEUE_MAPPING} -eq 0 ]]; then + declare -i GPU_ID=$((HPCBIND_PARTITION % NUM_GPUS)) + export ROCR_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" + else + declare -i MY_TASK_ID=$((HPCBIND_QUEUE_RANK * HPCBIND_DISTRIBUTE + HPCBIND_PARTITION)) + declare -i GPU_ID=$((MY_TASK_ID % NUM_GPUS)) + export ROCR_VISIBLE_DEVICES="${HPCBIND_VISIBLE_GPUS[${GPU_ID}]}" + fi fi fi @@ -541,6 +577,7 @@ fi export HPCBIND_HWLOC_VERSION=${HPCBIND_HWLOC_VERSION} export HPCBIND_HAS_HWLOC=${HPCBIND_HAS_HWLOC} export HPCBIND_HAS_NVIDIA=${HPCBIND_HAS_NVIDIA} +export HPCBIND_HAS_AMD=${HPCBIND_HAS_AMD} export HPCBIND_NUM_PUS=${HPCBIND_NUM_PUS} export HPCBIND_NUM_CORES=${HPCBIND_NUM_CORES} export HPCBIND_NUM_NUMAS=${HPCBIND_NUM_NUMAS} @@ -555,8 +592,14 @@ else export HPCBIND_HWLOC_PARENT_CPUSET="${HPCBIND_HWLOC_PARENT_CPUSET}" fi export HPCBIND_HWLOC_PROC_BIND="${HPCBIND_PROC_BIND}" -export HPCBIND_NVIDIA_ENABLE_GPU_MAPPING=${HPCBIND_ENABLE_GPU_MAPPING} -export HPCBIND_NVIDIA_VISIBLE_GPUS=$(echo "${HPCBIND_VISIBLE_GPUS[*]}" | tr ' ' ',') +if [[ ${HPCBIND_HAS_NVIDIA} -eq 1 ]]; then + export HPCBIND_NVIDIA_ENABLE_GPU_MAPPING=${HPCBIND_ENABLE_GPU_MAPPING} + export HPCBIND_NVIDIA_VISIBLE_GPUS=$(echo "${HPCBIND_VISIBLE_GPUS[*]}" | tr ' ' ',') +fi +if [[ ${HPCBIND_HAS_AMD} -eq 1 ]]; then + export HPCBIND_AMD_ENABLE_GPU_MAPPING=${HPCBIND_ENABLE_GPU_MAPPING} + export HPCBIND_AMD_VISIBLE_GPUS=$(echo "${HPCBIND_VISIBLE_GPUS[*]}" | tr ' ' ',') +fi export HPCBIND_OPENMP_VERSION="${HPCBIND_OPENMP_VERSION}" if [[ "${HPCBIND_QUEUE_NAME}" != "" ]]; then export HPCBIND_QUEUE_RANK=${HPCBIND_QUEUE_RANK} @@ -580,14 +623,15 @@ if [[ ${HPCBIND_TEE} -eq 0 || ${HPCBIND_VERBOSE} -eq 0 ]]; then echo "${TMP_ENV}" | grep -E "^HWLOC_" >> ${HPCBIND_LOG} echo "[CUDA]" >> ${HPCBIND_LOG} echo "${TMP_ENV}" | grep -E "^CUDA_" >> ${HPCBIND_LOG} + echo "[ROCM]" >> ${HPCBIND_LOG} + echo "${TMP_ENV}" | grep -E "^ROCM_" >> ${HPCBIND_LOG} + echo "${TMP_ENV}" | grep -E "^ROCR_" >> ${HPCBIND_LOG} echo "[OPENMP]" >> ${HPCBIND_LOG} echo "${TMP_ENV}" | grep -E "^OMP_" >> ${HPCBIND_LOG} echo "[GOMP] (gcc, g++, and gfortran)" >> ${HPCBIND_LOG} echo "${TMP_ENV}" | grep -E "^GOMP_" >> ${HPCBIND_LOG} echo "[KMP] (icc, icpc, and ifort)" >> ${HPCBIND_LOG} echo "${TMP_ENV}" | grep -E "^KMP_" >> ${HPCBIND_LOG} - echo "[XLSMPOPTS] (xlc, xlc++, and xlf)" >> ${HPCBIND_LOG} - echo "${TMP_ENV}" | grep -E "^XLSMPOPTS" >> ${HPCBIND_LOG} if [[ ${HPCBIND_HAS_HWLOC} -eq 1 ]]; then echo "[BINDINGS]" >> ${HPCBIND_LOG} @@ -604,14 +648,15 @@ else echo "${TMP_ENV}" | grep -E "^HWLOC_" > >(tee -a ${HPCBIND_LOG}) echo "[CUDA]" > >(tee -a ${HPCBIND_LOG}) echo "${TMP_ENV}" | grep -E "^CUDA_" > >(tee -a ${HPCBIND_LOG}) + echo "[ROCM]" > >(tee -a ${HPCBIND_LOG}) + echo "${TMP_ENV}" | grep -E "^ROCM_" > >(tee -a ${HPCBIND_LOG}) + echo "${TMP_ENV}" | grep -E "^ROCR_" > >(tee -a ${HPCBIND_LOG}) echo "[OPENMP]" > >(tee -a ${HPCBIND_LOG}) echo "${TMP_ENV}" | grep -E "^OMP_" > >(tee -a ${HPCBIND_LOG}) echo "[GOMP] (gcc, g++, and gfortran)" > >(tee -a ${HPCBIND_LOG}) echo "${TMP_ENV}" | grep -E "^GOMP_" > >(tee -a ${HPCBIND_LOG}) echo "[KMP] (icc, icpc, and ifort)" > >(tee -a ${HPCBIND_LOG}) echo "${TMP_ENV}" | grep -E "^KMP_" > >(tee -a ${HPCBIND_LOG}) - echo "[XLSMPOPTS] (xlc, xlc++, and xlf)" > >(tee -a ${HPCBIND_LOG}) - echo "${TMP_ENV}" | grep -E "^XLSMPOPTS" > >(tee -a ${HPCBIND_LOG}) if [[ ${HPCBIND_HAS_HWLOC} -eq 1 ]]; then echo "[BINDINGS]" > >(tee -a ${HPCBIND_LOG}) diff --git a/lib/kokkos/bin/nvcc_wrapper b/lib/kokkos/bin/nvcc_wrapper index 566b355c5b..1397148141 100755 --- a/lib/kokkos/bin/nvcc_wrapper +++ b/lib/kokkos/bin/nvcc_wrapper @@ -229,11 +229,11 @@ do fi ;; #Handle known nvcc args - --dryrun|--verbose|--keep|--source-in-ptx|-src-in-ptx|--keep-dir*|-G|-lineinfo|-expt-extended-lambda|-expt-relaxed-constexpr|--resource-usage|--fmad=*|--use_fast_math|--Wext-lambda-captures-this|-Wext-lambda-captures-this) + --dryrun|--verbose|--keep|--source-in-ptx|-src-in-ptx|--keep-dir*|-G|-lineinfo|-extended-lambda|-expt-extended-lambda|-expt-relaxed-constexpr|--resource-usage|--fmad=*|--use_fast_math|--Wext-lambda-captures-this|-Wext-lambda-captures-this) cuda_args="$cuda_args $1" ;; #Handle more known nvcc args - --expt-extended-lambda|--expt-relaxed-constexpr|--Wno-deprecated-gpu-targets|-Wno-deprecated-gpu-targets|-allow-unsupported-compiler|--allow-unsupported-compiler) + --extended-lambda|--expt-extended-lambda|--expt-relaxed-constexpr|--Wno-deprecated-gpu-targets|-Wno-deprecated-gpu-targets|-allow-unsupported-compiler|--allow-unsupported-compiler) cuda_args="$cuda_args $1" ;; #Handle known nvcc args that have an argument @@ -338,6 +338,24 @@ do std_flag=$corrected_std_flag shared_args="$shared_args $std_flag" ;; + --std=c++20|-std=c++20) + if [ -n "$std_flag" ]; then + warn_std_flag + shared_args=${shared_args/ $std_flag/} + fi + # NVCC only has C++20 from version 12 on + cuda_main_version=$([[ $(${nvcc_compiler} --version) =~ V([0-9]+) ]] && echo ${BASH_REMATCH[1]}) + if [ ${cuda_main_version} -lt 12 ]; then + fallback_std_flag="-std=c++14" + # this is hopefully just occurring in a downstream project during CMake feature tests + # we really have no choice here but to accept the flag and change to an accepted C++ standard + echo "nvcc_wrapper does not accept standard flags $1 since partial standard flags and standards after C++14 are not supported. nvcc_wrapper will use $fallback_std_flag instead. It is undefined behavior to use this flag. This should only be occurring during CMake configuration." + std_flag=$fallback_std_flag + else + std_flag=$1 + fi + shared_args="$shared_args $std_flag" + ;; --std=c++17|-std=c++17) if [ -n "$std_flag" ]; then warn_std_flag @@ -389,7 +407,7 @@ do -Woverloaded-virtual) ;; #strip -Xcompiler because we add it - -Xcompiler) + -Xcompiler|--compiler-options) if [[ $2 != "-o" ]]; then if [ $first_xcompiler_arg -eq 1 ]; then xcompiler_args="$2" diff --git a/lib/kokkos/cmake/Dependencies.cmake b/lib/kokkos/cmake/Dependencies.cmake index 10df9fe456..611c089b2e 100644 --- a/lib/kokkos/cmake/Dependencies.cmake +++ b/lib/kokkos/cmake/Dependencies.cmake @@ -1,21 +1,6 @@ -IF (CMAKE_CXX_STANDARD GREATER_EQUAL 17) - SET(KOKKOS_SIMD_TEST_CLASS PT) -ELSE() - SET(KOKKOS_SIMD_TEST_CLASS EX) - IF (${PROJECT_NAME}_ENABLE_KokkosSimd) - MESSAGE(WARNING "KokkosSimd is explicitly enabled but C++17 is not available") - ELSE() - MESSAGE(STATUS "Disabling KokkosSimd by default because C++17 is not available") - ENDIF() -ENDIF() - TRIBITS_PACKAGE_DEFINE_DEPENDENCIES( - SUBPACKAGES_DIRS_CLASSIFICATIONS_OPTREQS - #SubPackageName Directory Class Req/Opt - # - # New Kokkos subpackages: - Core core PS REQUIRED - Containers containers PS OPTIONAL - Algorithms algorithms PS OPTIONAL - Simd simd ${KOKKOS_SIMD_TEST_CLASS} OPTIONAL + LIB_OPTIONAL_TPLS Pthread CUDA HWLOC DLlib + TEST_OPTIONAL_TPLS CUSPARSE ) + +TRIBITS_TPL_TENTATIVELY_ENABLE(DLlib) diff --git a/lib/kokkos/cmake/KokkosConfigCommon.cmake.in b/lib/kokkos/cmake/KokkosConfigCommon.cmake.in index 23bc86cc84..446d12fa5f 100644 --- a/lib/kokkos/cmake/KokkosConfigCommon.cmake.in +++ b/lib/kokkos/cmake/KokkosConfigCommon.cmake.in @@ -6,18 +6,41 @@ SET(Kokkos_CXX_COMPILER "@CMAKE_CXX_COMPILER@") SET(Kokkos_CXX_COMPILER_ID "@KOKKOS_CXX_COMPILER_ID@") SET(Kokkos_CXX_STANDARD @KOKKOS_CXX_STANDARD@) -# These are needed by KokkosKernels +# Required to be a TriBITS-compliant external package +IF(NOT TARGET Kokkos::all_libs) + # CMake Error at /lib/cmake/Kokkos/KokkosConfigCommon.cmake:10 (ADD_LIBRARY): + # ADD_LIBRARY cannot create ALIAS target "Kokkos::all_libs" because target + # "Kokkos::kokkos" is imported but not globally visible. + IF(CMAKE_VERSION VERSION_LESS "3.18") + SET_TARGET_PROPERTIES(Kokkos::kokkos PROPERTIES IMPORTED_GLOBAL ON) + ENDIF() + ADD_LIBRARY(Kokkos::all_libs ALIAS Kokkos::kokkos) +ENDIF() + +# Export Kokkos_ENABLE_ for each backend that was enabled. +# NOTE: "Devices" is a little bit of a misnomer here. These are really +# backends, e.g. Kokkos_ENABLE_OPENMP, Kokkos_ENABLE_CUDA, Kokkos_ENABLE_HIP, +# or Kokkos_ENABLE_SYCL. FOREACH(DEV ${Kokkos_DEVICES}) SET(Kokkos_ENABLE_${DEV} ON) ENDFOREACH() +# Export relevant Kokkos_ENABLE