Merge pull request #1 from akohlmey/omp4-compat (82b767f6) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+8 −4

Original line number	Diff line number	Diff line
		@@ -248,11 +248,15 @@ if(BUILD_OMP)
		message(FATAL_ERROR "Cannot find the 'omp.h' header file required for full OpenMP support")
		endif()

		if ((CMAKE_CXX_COMPILER_ID STREQUAL "GNU") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 8.99.9))
		# GCC 9.x strictly implements OpenMP 4.0 semantics for consts.
		add_definitions(-DLAMMPS_OMP_COMPAT=4)
		if (((CMAKE_CXX_COMPILER_ID STREQUAL "GNU") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 8.99.9)) OR
		((CMAKE_CXX_COMPILER_ID STREQUAL "Clang") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 9.99.9)) OR
		((CMAKE_CXX_COMPILER_ID STREQUAL "Intel") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 18.99.9))
		)
		# GCC 9.x and later plus Clang 10.x and later implement strict OpenMP 4.0 semantics for consts.
		# Intel 18.0 was tested to support both, so we switch to OpenMP 4+ from 19.x onward to be safe.
		target_compile_definitions(lammps PRIVATE -DLAMMPS_OMP_COMPAT=4)
		else()
		add_definitions(-DLAMMPS_OMP_COMPAT=3)
		target_compile_definitions(lammps PRIVATE -DLAMMPS_OMP_COMPAT=3)
		endif()
		target_link_libraries(lammps PRIVATE OpenMP::OpenMP_CXX)
		endif()

+9 −7

Original line number	Diff line number	Diff line
		@@ -142,13 +142,15 @@ please refer to its documentation.
		OpenMP Compiler compatibility info\ :

		Some compilers do not fully support the ``default(none)`` directive
		and others (e.g. GCC version 9 and beyond) may implement OpenMP 4.0
		semantics, which are incompatible with the OpenMP 3.1 semantics used
		in LAMMPS (for maximal compatibility with compiler versions in use).
		LAMMPS will try to detect compilers that use OpenMP 4.0 semantics and
		change the directives accordingly, but if your compiler is not
		detected, you may set the define ``-D LAMMPS_OMP_COMPAT=4`` in ``LMP_INC``
		or the CMake build command.
		and others (e.g. GCC version 9 and beyond, Clang version 10 and later)
		may implement strict OpenMP 4.0 and later semantics, which are incompatible
		with the OpenMP 3.1 semantics used in LAMMPS for maximal compatibility
		with compiler versions in use. If compilation with OpenMP enabled fails
		because of your compiler requiring strict OpenMP 4.0 semantic, you can
		change the behvior by adding ``-D LAMMPS_OMP_COMPAT=4`` to the ``LMP_INC``
		variable in your makefile, or add it to the command line while configuring
		with CMake. CMake will autodetect the suitable setting for the GNU, Clang,
		and Intel compilers.

		----------

+2 −1

Original line number	Diff line number	Diff line
		@@ -1203,7 +1203,8 @@ char *Info::get_compiler_info()
		#if __clang__
		snprintf(buf,_INFOBUF_SIZE,"Clang C++ %s", __VERSION__);
		#elif __INTEL_COMPILER
		snprintf(buf,_INFOBUF_SIZE,"Intel C++ %s", __VERSION__);
		double version = static_cast<double>(__INTEL_COMPILER)*0.01;
		snprintf(buf,_INFOBUF_SIZE,"Intel C++ %5.2f.%d / %s", version, __INTEL_COMPILER_UPDATE, __VERSION__);
		#elif __GNUC__
		snprintf(buf,_INFOBUF_SIZE,"GNU C++ %s", __VERSION__);
		#else

+2 −2

Original line number	Diff line number	Diff line
		@@ -23,8 +23,8 @@
		//
		// To date, most compilers still accept the OpenMP 3.0 form,
		// so this is what LAMMPS primarily uses. For those compilers
		// that strictly implement OpenMP 4.0 (such as GCC 9.0), we
		// give up default(none).
		// that strictly implement OpenMP 4.0 (such as GCC 9.0 and later
		// or Clang 10.0 and later), we give up default(none).
		#if LAMMPS_OMP_COMPAT == 4
		# define LMP_SHARED(...)
		# define LMP_DEFAULT_NONE default(shared)