set(CMAKE_INSTALL_PREFIX "/usr/local/gromacs" CACHE STRING "Installation prefix (installation will need write permissions here)" FORCE)
endif()
+include(gmxBuildTypeReference)
+
if(NOT CMAKE_BUILD_TYPE)
- set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel." FORCE)
+ set(CMAKE_BUILD_TYPE "Release" CACHE STRING "Choose the type of build, options are: Debug Release RelWithDebInfo MinSizeRel Reference." FORCE)
endif(NOT CMAKE_BUILD_TYPE)
enable_language(C)
include(gmxCFlags)
gmx_c_flags()
-include(gmxGetCompilerVersion)
+include(gmxGetCompilerInfo)
get_compiler_version()
# gcc 4.4.x is buggy and crashes when compiling some files with O3 and OpenMP on.
message(FATAL_ERROR "
mdrun supports native GPU acceleration on NVIDIA hardware with compute
capability >=2.0. This requires the NVIDIA CUDA library, which was not
- found; the location can be hinted by setting CUDA_TOOLKIT_ROOT_DIR.
+ found; the location can be hinted by setting CUDA_TOOLKIT_ROOT_DIR as
+ a CMake option (It does not work as an environment variable).
+ The typical location would be /usr/local/cuda.
CPU or GPU acceleration can be selected at runtime, but if you are
sure you can not make use of GPU acceleration, disable it by setting
if(NOT GMX_OPENMP)
message(WARNING "
- In order to use GPU acceleration efficiently, mdrun requires OpenMP multithreding.
+ In order to use GPU acceleration efficiently, mdrun requires OpenMP multithreading.
Without OpenMP only a single CPU core per GPU can be used which is suboptimal.
Note that with MPI multiple processes can be forced to use a single GPU, but this
- typically inefficient.")
+ typically inefficient. Note that you need to set both C and C++ compilers that
+ support OpenMP (CC and CXX environment variables, respectively) when using GPUs.")
endif()
include(gmxManageNvccConfig)
include(ThreadMPI)
endif()
+ # Version info (semicolon used as line separator) for nvcc.
+ get_nvcc_version_info()
+
endif()
# Annoyingly enough, FindCUDA leaves a few variables behind as non-advanced.
# We need to mark these advanced outside the conditional, otherwise, if the user
GMX_TEST_CFLAG(MSVC_AVX_CFLAG "/arch:AVX" GROMACS_C_FLAGS)
endif (NOT GNU_AVX_CFLAG)
if (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
- message(WARNING "No C AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
+ message(WARNING "No C AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
endif (NOT GNU_AVX_CFLAG AND NOT MSVC_AVX_CFLAG)
if (CMAKE_CXX_COMPILER_LOADED)
GMX_TEST_CXXFLAG(MSVC_AVX_CXXFLAG "/arch:AVX" GROMACS_CXX_FLAGS)
endif (NOT GNU_AVX_CXXFLAG)
if (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
- message(WARNING "No C++ AVX flag found. Consider a newer compiler, or disable AVX for much lower performance.")
+ message(WARNING "No C++ AVX flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
endif (NOT GNU_AVX_CXXFLAG AND NOT MSVC_AVX_CXXFLAG)
endif()
if(${GMX_CPU_ACCELERATION} STREQUAL "AVX_128_FMA" AND NOT MSVC)
GMX_TEST_CFLAG(GNU_FMA_CFLAG "-mfma4" GROMACS_C_FLAGS)
if (NOT GNU_FMA_CFLAG)
- message(WARNING "No C FMA4 flag found. Consider a newer compiler, or disable AVX_128_FMA for much lower performance.")
+ message(WARNING "No C FMA4 flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
endif(NOT GNU_FMA_CFLAG)
if (CMAKE_CXX_COMPILER_LOADED)
GMX_TEST_CXXFLAG(GNU_FMA_CXXFLAG "-mfma4" GROMACS_CXX_FLAGS)
if (NOT GNU_FMA_CXXFLAG)
- message(WARNING "No C++ FMA flag found. Consider a newer compiler, or disable AVX_128_FMA for much lower performance.")
+ message(WARNING "No C++ FMA flag found. Consider a newer compiler, or try SSE4.1 (lower performance).")
endif (NOT GNU_FMA_CXXFLAG)
endif()
endif()
unset(OpenMP_LINKER_FLAGS CACHE)
unset(OpenMP_SHARED_LINKER_FLAGS)
endif()
+
######################################
# Output compiler and CFLAGS used
######################################
-execute_process(COMMAND ${CMAKE_C_COMPILER} --version RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
-#try executing just the compiler command if that failed...
-if(TMP_RESULT)
- execute_process(COMMAND ${CMAKE_C_COMPILER} RESULT_VARIABLE TMP_RESULT OUTPUT_VARIABLE CC_VERSION ERROR_VARIABLE CC_VERSION)
-endif()
-string(LENGTH "${CC_VERSION}" len)
-if(len)
- string(REGEX MATCH "[^\n]+" CC_VERSION "${CC_VERSION}")
-endif()
-
-set(BUILD_COMPILER "@CMAKE_C_COMPILER@ @CMAKE_C_COMPILER_ID@ @CC_VERSION@")
-set(BUILD_CFLAGS "@CMAKE_C_FLAGS@")
-if(CMAKE_BUILD_TYPE STREQUAL "Debug")
- set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_DEBUG@")
-elseif(CMAKE_BUILD_TYPE STREQUAL "Release")
- set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELEASE@")
-elseif(CMAKE_BUILD_TYPE STREQUAL "MinSizeRel")
- set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_MINSIZEREL@")
-elseif(CMAKE_BUILD_TYPE STREQUAL "RelWithDebInfo")
- set(BUILD_CFLAGS "@BUILD_CFLAGS@ @CMAKE_C_FLAGS_RELWITHDEBINFO@")
-endif()
-
+get_compiler_info(C BUILD_C_COMPILER BUILD_CFLAGS)
+if (CMAKE_CXX_COMPILER_LOADED)
+ get_compiler_info(CXX BUILD_CXX_COMPILER BUILD_CXXFLAGS)
+endif ()
########################################################################
# Specify install locations and which subdirectories to process #
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff