Merge pull request #1963 from akohlmey/collected-small-fixes (2ac79d44) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+10 −2

Original line number	Diff line number	Diff line
		@@ -227,7 +227,15 @@ pkg_depends(USER-LB MPI)
		pkg_depends(USER-PHONON KSPACE)
		pkg_depends(USER-SCAFACOS MPI)

		# detect if we may enable OpenMP support by default
		set(BUILD_OMP_DEFAULT OFF)
		find_package(OpenMP QUIET)
		if(OpenMP_FOUND)
		check_include_file_cxx(omp.h HAVE_OMP_H_INCLUDE)
		if(HAVE_OMP_H_INCLUDE)
		set(BUILD_OMP_DEFAULT ON)
		endif()
		endif()

		# TODO: this is a temporary workaround until a better solution is found. AK 2019-05-30
		# GNU GCC 9.x uses settings incompatible with our use of 'default(none)' in OpenMP pragmas
		@@ -237,14 +245,14 @@ find_package(OpenMP QUIET)
		if ((CMAKE_CXX_COMPILER_ID STREQUAL "GNU") AND (CMAKE_CXX_COMPILER_VERSION VERSION_GREATER 8.99.9))
		option(BUILD_OMP "Build with OpenMP support" OFF)
		else()
		option(BUILD_OMP "Build with OpenMP support" ${OpenMP_FOUND})
		option(BUILD_OMP "Build with OpenMP support" ${BUILD_OMP_DEFAULT})
		endif()

		if(BUILD_OMP)
		find_package(OpenMP REQUIRED)
		check_include_file_cxx(omp.h HAVE_OMP_H_INCLUDE)
		if(NOT HAVE_OMP_H_INCLUDE)
		message(FATAL_ERROR "Cannot find required 'omp.h' header file")
		message(FATAL_ERROR "Cannot find the 'omp.h' header file required for full OpenMP support")
		endif()
		set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS}")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} ${OpenMP_CXX_FLAGS}")

+1 −1

Original line number	Diff line number	Diff line
		@@ -31,7 +31,7 @@ if(PKG_USER-INTEL)
		endif()
		endif()
		if(INTEL_LRT_MODE STREQUAL "C++11")
		add_definitions(-DLMP_INTEL_USERLRT -DLMP_INTEL_LRT11)
		add_definitions(-DLMP_INTEL_USELRT -DLMP_INTEL_LRT11)
		endif()

		if(CMAKE_CXX_COMPILER_ID STREQUAL "Intel")

+1 −1

+2 −2

Original line number	Diff line number	Diff line
		@@ -132,9 +132,9 @@ and Te. If your LAMMPS simulation has 4 atoms types and you want the
		1st 3 to be Cd, and the 4th to be Te, you would use the following
		pair_coeff command:

		.. parsed-literal::
		.. code-block:: LAMMPS

		pair_coeff \* \* CdTe Cd Cd Cd Te
		pair_coeff * * CdTe Cd Cd Cd Te

		The 1st 2 arguments must be \* \* so as to span all LAMMPS atom types.
		The first three Cd arguments map LAMMPS atom types 1,2,3 to the Cd

+4 −4