make support for threaded FFTW3 consistent and incorporate it into CMake (bf06dca1) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+5 −0

Original line number	Diff line number	Diff line
		@@ -661,4 +661,9 @@ if(PKG_KSPACE)
		else()
		message(STATUS "Using double precision FFTs")
		endif()
		if(FFT_THREADS)
		message(STATUS "Using threaded FFTs")
		else()
		message(STATUS "Using non-threaded FFTs")
		endif()
		endif()

+9 −6

Original line number	Diff line number	Diff line
		@@ -3,18 +3,21 @@
		#
		# FFTW3_INCLUDE_DIRS - where to find fftw3.h, etc.
		# FFTW3_LIBRARIES - List of libraries when using fftw3.
		# FFTW3_OMP_LIBRARIES - List of libraries when using fftw3.
		# FFTW3_FOUND - True if fftw3 found.
		# FFTW3_OMP_FOUND - True if fftw3_omp found.
		#

		find_package(PkgConfig)

		pkg_check_modules(PC_FFTW3 fftw3)
		find_path(FFTW3_INCLUDE_DIR fftw3.h HINTS ${PC_FFTW3_INCLUDE_DIRS})

		find_library(FFTW3_LIBRARY NAMES fftw3 HINTS ${PC_FFTW3_LIBRARY_DIRS})
		find_library(FFTW3_OMP_LIBRARY NAMES fftw3_omp HINTS ${PC_FFTW3_LIBRARY_DIRS})

		set(FFTW3_LIBRARIES ${FFTW3_LIBRARY})
		set(FFTW3_INCLUDE_DIRS ${FFTW3_INCLUDE_DIR})
		set(FFTW3_LIBRARIES ${FFTW3_LIBRARY})
		set(FFTW3_OMP_LIBRARIES ${FFTW3_OMP_LIBRARY})

		include(FindPackageHandleStandardArgs)
		# handle the QUIETLY and REQUIRED arguments and set FFTW3_FOUND to TRUE
		@@ -22,4 +25,4 @@ include(FindPackageHandleStandardArgs)

		find_package_handle_standard_args(FFTW3 DEFAULT_MSG FFTW3_LIBRARY FFTW3_INCLUDE_DIR)

		mark_as_advanced(FFTW3_INCLUDE_DIR FFTW3_LIBRARY )
		mark_as_advanced(FFTW3_INCLUDE_DIR FFTW3_LIBRARY FFTW3_OMP_LIBRARY)

+6 −5

Original line number	Diff line number	Diff line
		# - Find fftw3f
		# Find the native FFTW3F headers and libraries.
		# Find the native single precision FFTW3 headers and libraries.
		#
		# FFTW3F_INCLUDE_DIRS - where to find fftw3f.h, etc.
		# FFTW3F_LIBRARIES - List of libraries when using fftw3f.
		# FFTW3F_OMP_LIBRARIES - List of libraries when using fftw3.
		# FFTW3F_FOUND - True if fftw3f found.
		#

		@@ -10,11 +10,12 @@ find_package(PkgConfig)

		pkg_check_modules(PC_FFTW3F fftw3f)
		find_path(FFTW3F_INCLUDE_DIR fftw3.h HINTS ${PC_FFTW3F_INCLUDE_DIRS})

		find_library(FFTW3F_LIBRARY NAMES fftw3f HINTS ${PC_FFTW3F_LIBRARY_DIRS})
		find_library(FFTW3F_OMP_LIBRARY NAMES fftw3f_omp HINTS ${PC_FFTW3F_LIBRARY_DIRS})

		set(FFTW3F_LIBRARIES ${FFTW3F_LIBRARY})
		set(FFTW3F_INCLUDE_DIRS ${FFTW3F_INCLUDE_DIR})
		set(FFTW3F_LIBRARIES ${FFTW3F_LIBRARY})
		set(FFTW3F_OMP_LIBRARIES ${FFTW3F_OMP_LIBRARY})

		include(FindPackageHandleStandardArgs)
		# handle the QUIETLY and REQUIRED arguments and set FFTW3F_FOUND to TRUE

+3 −1

Original line number	Diff line number	Diff line
		@@ -27,7 +27,9 @@ if(PKG_KOKKOS)
		${KOKKOS_PKG_SOURCES_DIR}/modify_kokkos.cpp)

		if(PKG_KSPACE)
		list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp)
		list(APPEND KOKKOS_PKG_SOURCES ${KOKKOS_PKG_SOURCES_DIR}/fft3d_kokkos.cpp
		${KOKKOS_PKG_SOURCES_DIR}/gridcomm_kokkos.cpp
		${KOKKOS_PKG_SOURCES_DIR}/remap_kokkos.cpp)
		endif()

		set_property(GLOBAL PROPERTY "KOKKOS_PKG_SOURCES" "${KOKKOS_PKG_SOURCES}")

+22 −0

Original line number	Diff line number	Diff line
		@@ -21,14 +21,36 @@ if(PKG_KSPACE)
		add_definitions(-DFFT_FFTW3)
		include_directories(${${FFTW}_INCLUDE_DIRS})
		list(APPEND LAMMPS_LINK_LIBS ${${FFTW}_LIBRARIES})
		if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY)
		option(FFT_THREADS "Use threaded FFT library" ON)
		else()
		option(FFT_THREADS "Use threaded FFT library" OFF)
		endif()

		if(FFT_THREADS)
		if(FFTW3_OMP_LIBRARY OR FFTW3F_OMP_LIBRARY)
		add_definitions(-DFFT_FFTW_THREADS)
		list(APPEND LAMMPS_LINK_LIBS ${${FFTW}_OMP_LIBRARIES})
		else()
		message(FATAL_ERROR "Need OpenMP enabled FFTW3 library for FFT_THREADS")
		endif()
		endif()
		elseif(FFT STREQUAL "MKL")
		find_package(MKL REQUIRED)
		option(FFT_THREADS "Use threaded FFT library" OFF)
		add_definitions(-DFFT_MKL)
		include_directories(${MKL_INCLUDE_DIRS})
		list(APPEND LAMMPS_LINK_LIBS ${MKL_LIBRARIES})
		if (FFT_THREADS)
		message(FATAL_ERROR "FFT_THREADS not supported with FFT from MKL")
		endif()
		else()
		# last option is KISSFFT
		option(FFT_THREADS "Use threaded FFT library" OFF)
		add_definitions(-DFFT_KISS)
		if (FFT_THREADS)
		message(FATAL_ERROR "FFT_THREADS not supported with KISSFFT")
		endif()
		endif()

		set(FFT_PACK "array" CACHE STRING "Optimization for FFT")