ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add basic KOKKOS support to CMake build

Browse Source
This commit is contained in:
Richard Berger
2017-07-15 15:33:36 -05:00
parent b15f75d37b
commit acd315e97a
1 changed files with 58 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

59
cmake/CMakeLists.txt
View File

@ -4,6 +4,7 @@ project(lammps)
set(SOVERSION 0)
set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src)
set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib)
set(LAMMPS_LIB_BINARY_DIR ${CMAKE_BINARY_DIR}/lib)
# Cmake modules/macros are in a subdirectory to keep this file cleaner
set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/Modules)
@ -47,7 +48,7 @@ foreach(PKG ${PACKAGES})
option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
endforeach()
set(ACCEL_PACKAGES USER_OMP)
set(ACCEL_PACKAGES USER_OMP KOKKOS)
foreach(PKG ${ACCEL_PACKAGES})
option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
endforeach()
@ -61,6 +62,24 @@ if(ENABLE_KSPACE)
endif()
endif()
if(ENABLE_KOKKOS)
# starting with CMake 3.1 this is all you have to do to enforce C++11
set (CMAKE_CXX_STANDARD 11)
set(LAMMPS_LIB_KOKKOS_SRC_DIR ${LAMMPS_LIB_SOURCE_DIR}/kokkos)
set(LAMMPS_LIB_KOKKOS_BIN_DIR ${LAMMPS_LIB_BINARY_DIR}/kokkos)
add_definitions(-DLMP_KOKKOS)
add_subdirectory(${LAMMPS_LIB_KOKKOS_SRC_DIR} ${LAMMPS_LIB_KOKKOS_BIN_DIR})
message("KOKKOS_DIRS: ${Kokkos_INCLUDE_DIRS}")
# TODO there probably is a better way
set(Kokkos_INCLUDE_DIRS ${LAMMPS_LIB_KOKKOS_SRC_DIR}/core/src
${LAMMPS_LIB_KOKKOS_SRC_DIR}/containers/src
${LAMMPS_LIB_KOKKOS_SRC_DIR}/algorithms/src
${LAMMPS_LIB_KOKKOS_BIN_DIR})
include_directories(${Kokkos_INCLUDE_DIRS})
list(APPEND LAMMPS_LINK_LIBS ${Kokkos_LIBRARIES})
endif()
find_package(JPEG)
if(JPEG_FOUND)
add_definitions(-DLAMMPS_JPEG)
@ -166,6 +185,38 @@ if(ENABLE_USER_OMP)
include_directories(${USER_OMP_SOURCES_DIR})
endif()
if(ENABLE_KOKKOS)
find_package(OpenMP REQUIRED)
if (OPENMP_FOUND)
set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")
else()
message(FATAL_ERROR "USER-OMP requires a compiler with OpenMP support")
endif()
set(KOKKOS_PKG_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/KOKKOS)
set(KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/atom_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/atom_vec_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/comm_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/comm_tiled_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/neighbor_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/neigh_list_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/neigh_bond_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/fix_nh_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/domain_kokkos.cpp
${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)
set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")
# detects styles which have KOKKOS version
RegisterStylesExt(${KOKKOS_PKG_SOURCES_DIR} kokkos KOKKOS_PKG_SOURCES)
get_property(KOKKOS_PKG_SOURCES GLOBAL PROPERTY KOKKOS_PKG_SOURCES)
list(APPEND LIB_SOURCES ${KOKKOS_PKG_SOURCES})
include_directories(${KOKKOS_PKG_SOURCES_DIR})
endif()
if(ENABLE_REAX)
enable_language(Fortran)
@ -190,6 +241,11 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
add_library(lammps ${LIB_SOURCES})
target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})
if(ENABLE_KOKKOS)
target_link_libraries(lammps kokkos)
endif()
if(INSTALL_LIB)
install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
install(FILES ${LAMMPS_SOURCE_DIR}/lammps.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
@ -199,6 +255,7 @@ endif()
add_executable(lmp ${LMP_SOURCES})
target_link_libraries(lmp lammps)
install(TARGETS lmp DESTINATION ${CMAKE_INSTALL_BINDIR})
foreach(PKG ${PACKAGES} ${ACCEL_PACKAGES})