set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden (f893f4f8) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+14 −18

Original line number	Diff line number	Diff line
		@@ -53,11 +53,18 @@ include(CheckIncludeFileCXX)

		if(${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
		if (NOT CMAKE_TUNE_FLAGS)
		if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.3 OR CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.4)
		set(CMAKE_TUNE_FLAGS "-xCOMMON-AVX512")
		else()
		set(CMAKE_TUNE_FLAGS "-xHost")
		endif()
		endif()
		endif()

		if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
		if(NOT ("${CMAKE_BUILD_TYPE}" STREQUAL "Debug"))
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -ffast-math -ftree-vectorize -fexpensive-optimizations")
		if(NOT CMAKE_TUNE_FLAGS)
		set (CMAKE_TUNE_FLAGS "-ffast-math -march=native")
		endif()
		endif()

		@@ -70,22 +77,7 @@ if (${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
		option(ENABLE_COVERAGE "Enable code coverage" OFF)
		mark_as_advanced(ENABLE_COVERAGE)
		if(ENABLE_COVERAGE)
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} --coverage")
		endif()
		option(ENABLE_SANITIZE_ADDRESS "Enable address sanitizer" OFF)
		mark_as_advanced(ENABLE_SANITIZE_ADDRESS)
		if(ENABLE_SANITIZE_ADDRESS)
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=address")
		endif()
		option(ENABLE_SANITIZE_UNDEFINED "Enable undefined behavior sanitizer" OFF)
		mark_as_advanced(ENABLE_SANITIZE_UNDEFINED)
		if(ENABLE_SANITIZE_UNDEFINED)
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=undefined")
		endif()
		option(ENABLE_SANITIZE_THREAD "Enable thread sanitizer" OFF)
		mark_as_advanced(ENABLE_SANITIZE_THREAD)
		if(ENABLE_SANITIZE_THREAD)
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=thread")
		set (CMAKE_TUNE_FLAGS "--coverage")
		endif()
		endif()

		@@ -347,6 +339,10 @@ if(${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
		list(APPEND LAMMPS_LINK_LIBS -lwsock32 -lpsapi)
		endif()

		set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${CMAKE_TUNE_FLAGS}")
		if(CMAKE_Fortran_FLAGS)
		set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} ${CMAKE_TUNE_FLAGS}")
		endif()
		########################################################################
		# Basic system tests (standard libraries, headers, functions, types) #
		########################################################################

cmake/Modules/Packages/USER-INTEL.cmake

+0 −5

Original line number	Diff line number	Diff line
		@@ -74,11 +74,6 @@ if(PKG_USER-INTEL)
		add_definitions(-DLMP_INTEL_OFFLOAD)
		else()
		if(CMAKE_CXX_COMPILER_ID STREQUAL "Intel")
		if(CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.3 OR CMAKE_CXX_COMPILER_VERSION VERSION_EQUAL 17.4)
		set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xCOMMON-AVX512")
		else()
		set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -xHost")
		endif()
		include(CheckCXXCompilerFlag)
		foreach(_FLAG -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high -qno-offload -fno-alias -ansi-alias -restrict)
		check_cxx_compiler_flag("${__FLAG}" COMPILER_SUPPORTS${_FLAG})

doc/src/Build_basics.rst

+7 −0

Original line number	Diff line number	Diff line
		@@ -213,6 +213,13 @@ A few example command lines are:
		For compiling with the Clang/LLVM compilers a special CMake preset is
		included that can be loaded with `-C ../cmake/presets/clang.cmake`.

		In addition you can set ``CMAKE_TUNE_FLAGS`` to specifically add compiler
		flags to tune for optimal performance on given hosts. By default these are
		initialized to some compiler specific flags, where known, to optimize the
		LAMMPS executable with optimizations and instructions available on the host
		where LAMMPS is compiled. For example, for Intel compilers this would be
		``-xHost`` and for GNU compilers this would be ``-march=native``.

		.. note::

		When the cmake command completes, it prints a summary to the screen

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