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addressed some pr comments

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This commit is contained in:
Miroslav Stoyanov
2023-11-09 11:38:33 -05:00
parent f75648030f
commit d0ae489dda
3 changed files with 10 additions and 8 deletions
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2
cmake/CMakeLists.txt
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@ -977,7 +977,7 @@ if(PKG_KSPACE)
if (HEFFTE_BACKEND)
message(STATUS "heFFTe backend: ${HEFFTE_BACKEND}")
else()
message(STATUS "heFFTe backend: stock (not intended for production)")
message(STATUS "heFFTe backend: stock (builtin FFT implementation, tested for corrected but not optimized for production)")
endif()
if(FFT_SINGLE)
message(STATUS "Using single precision FFTs")

14
cmake/Modules/Packages/KSPACE.cmake
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@ -46,7 +46,7 @@ else()
target_compile_definitions(lammps PRIVATE -DFFT_KISS)
endif()
option(LMP_HEFFTE "Use heFFTe as the distributed FFT engine, supersedes the FFT option." OFF)
option(LMP_HEFFTE "Use heFFTe as the distributed FFT engine, overrides the FFT option." OFF)
if(LMP_HEFFTE)
# if FFT_HEFFTE is enabled, switch the builtin FFT engine with Heffte
set(HEFFTE_BACKEND_VALUES FFTW MKL)
@ -60,20 +60,22 @@ if(LMP_HEFFTE)
set(HEFFTE_COMPONENTS "MKL")
set(Heffte_ENABLE_MKL "ON" CACHE BOOL "Enables MKL backend for heFFTe")
else()
message(WARNING "HEFFTE_BACKEND not selected, defaulting to 'stock' backend, which is not intended for production")
message(WARNING "HEFFTE_BACKEND not selected, defaulting to the builtin 'stock' backend, which is intended for testing and is not optimized for production runs")
endif()
find_package(Heffte 2.3.0 QUIET COMPONENTS ${HEFFTE_COMPONENTS})
find_package(Heffte 2.4.0 QUIET COMPONENTS ${HEFFTE_COMPONENTS})
if (NOT Heffte_FOUND) # download and build
include(FetchContent)
FetchContent_Declare(HEFFTE_PROJECT # using v2.3.0
URL "https://bitbucket.org/icl/heffte/get/f49e25969bd7abbcb09e338db9a5e59550c8a05a.tar.gz"
URL_HASH SHA256=27c0a8da8f7bc91c8715ecb640721ab7e0454e22f6e3f521fe5acc45c28d60a9
FetchContent_Declare(HEFFTE_PROJECT # using v2.4.0
URL "https://github.com/icl-utk-edu/heffte/archive/refs/tags/v2.4.0.tar.gz"
URL_HASH SHA256=02310fb4f9688df02f7181667e61c3adb7e38baf79611d80919d47452ff7881d
)
FetchContent_Populate(HEFFTE_PROJECT)
add_subdirectory(${heffte_project_SOURCE_DIR} ${heffte_project_BINARY_DIR})
set_target_properties(lmp PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
set_target_properties(lammps PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
add_library(Heffte::Heffte INTERFACE IMPORTED GLOBAL)
target_link_libraries(Heffte::Heffte INTERFACE Heffte)
endif()
target_compile_definitions(lammps PRIVATE -DLMP_HEFFTE "-DHEFFTE_${HEFFTE_BACKEND}")

2
doc/src/Build_settings.rst
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@ -47,7 +47,7 @@ Alternatively, LAMMPS can use the
`heFFTe <https://icl-utk-edu.github.io/heffte/>`_
library for the MPI communication algorithms,
which comes with many optimizations for special cases,
e.g., leveraging 2D or 3D backend transforms or
e.g., leveraging 2D and 3D backend transforms and
better pipelining for packing and communication.
.. tabs::