2 # This file is part of the GROMACS molecular simulation package.
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35 # Manage the MPI setup, assuming that CMAKE_C_COMPILER is an MPI
39 message(STATUS "MPI is not compatible with thread-MPI. Disabling thread-MPI.")
40 set(GMX_THREAD_MPI OFF CACHE BOOL
41 "Build a thread-MPI-based multithreaded version of GROMACS (not compatible with MPI)" FORCE)
44 # Test the CMAKE_C_COMPILER for being an MPI (wrapper) compiler
45 TRY_COMPILE(MPI_FOUND ${CMAKE_BINARY_DIR}
46 "${CMAKE_SOURCE_DIR}/cmake/TestMPI.c"
49 # If CMAKE_C_COMPILER is not a MPI wrapper. Try to find MPI using cmake module as fall-back.
53 if(${${MPI_PREFIX}_FOUND})
54 set(MPI_COMPILE_FLAGS ${${MPI_PREFIX}_COMPILE_FLAGS})
55 set(MPI_LINKER_FLAGS ${${MPI_PREFIX}_LINK_FLAGS})
56 include_directories(${${MPI_PREFIX}_INCLUDE_PATH})
57 list(APPEND GMX_EXTRA_LIBRARIES ${${MPI_PREFIX}_LIBRARIES})
59 set(MPI_FOUND ${${MPI_PREFIX}_FOUND})
63 include(gmxTestMPI_IN_PLACE)
65 gmx_test_mpi_in_place(MPI_IN_PLACE_EXISTS)
68 # Find path of the mpi compilers
69 if (${${MPI_PREFIX}_FOUND})
70 get_filename_component(_mpi_c_compiler_path "${MPI_C_COMPILER}" PATH)
71 get_filename_component(_mpiexec_path "${MPIEXEC}" PATH)
73 get_filename_component(_cmake_c_compiler_path "${CMAKE_C_COMPILER}" PATH)
74 get_filename_component(_cmake_cxx_compiler_path "${CMAKE_CXX_COMPILER}" PATH)
77 # Test for and warn about unsuitable MPI versions
79 # Execute the ompi_info binary with the full path of the compiler wrapper
80 # found, otherwise we run the risk of false positives.
81 find_file(MPI_INFO_BIN ompi_info
82 HINTS ${_mpi_c_compiler_path} ${_mpiexec_path}
83 ${_cmake_c_compiler_path} ${_cmake_cxx_compiler_path}
85 NO_SYSTEM_ENVIRONMENT_PATH
88 exec_program(${MPI_INFO_BIN}
90 OUTPUT_VARIABLE OPENMPI_TYPE
91 RETURN_VALUE OPENMPI_EXEC_RETURN)
92 if(OPENMPI_EXEC_RETURN EQUAL 0)
93 string(REGEX REPLACE ".*Open MPI: \([0-9]+\\.[0-9]*\\.?[0-9]*\).*" "\\1" OPENMPI_VERSION ${OPENMPI_TYPE})
94 if(OPENMPI_VERSION VERSION_LESS "1.4.1")
96 "CMake found OpenMPI version ${OPENMPI_VERSION} on your system. "
97 "There are known problems with GROMACS and OpenMPI version < 1.4.1. "
98 "Please consider updating your OpenMPI if your MPI wrapper compilers "
99 "are using the above OpenMPI version.")
101 unset(OPENMPI_VERSION)
103 unset(OPENMPI_EXEC_RETURN)
106 unset(MPI_INFO_BIN CACHE)
108 # Execute the mpiname binary with the full path of the compiler wrapper
109 # found, otherwise we run the risk of false positives.
110 find_file(MPINAME_BIN mpiname
111 HINTS ${_mpi_c_compiler_path}
112 ${_cmake_c_compiler_path} ${_cmake_cxx_compiler_path}
114 NO_SYSTEM_ENVIRONMENT_PATH
115 NO_CMAKE_SYSTEM_PATH)
117 exec_program(${MPINAME_BIN}
119 OUTPUT_VARIABLE MVAPICH2_TYPE
120 RETURN_VALUE MVAPICH2_EXEC_RETURN)
121 if(MVAPICH2_EXEC_RETURN EQUAL 0)
122 string(REGEX MATCH "MVAPICH2" MVAPICH2_NAME ${MVAPICH2_TYPE})
123 # Want to check for MVAPICH2 in case some other library supplies mpiname
124 string(REGEX REPLACE "MVAPICH2 \([0-9]+\\.[0-9]*[a-z]?\\.?[0-9]*\)" "\\1" MVAPICH2_VERSION ${MVAPICH2_TYPE})
125 if(${MVAPICH2_NAME} STREQUAL "MVAPICH2" AND MVAPICH2_VERSION VERSION_LESS "1.5")
126 # This test works correctly even with 1.5a1
128 "CMake found MVAPICH2 version ${MVAPICH2_VERSION} on your system. "
129 "There are known problems with GROMACS and MVAPICH2 version < 1.5. "
130 "Please consider updating your MVAPICH2 if your MPI wrapper compilers "
131 "are using the above MVAPICH2 version.")
133 unset(MVAPICH2_VERSION)
136 unset(MVAPICH2_EXEC_RETURN)
139 unset(MPINAME_BIN CACHE)
141 # Using find_file() runs the CMake standard module
142 # GetPrerequisites.cmake, which adds the file_cmd
143 # variable to the top-level CMake namespace. This is
144 # fixed in CMake 2.8.10. Meanwhile, clean up for it.
145 if(CMAKE_VERSION VERSION_LESS "2.8.10")
146 mark_as_advanced(file_cmd)
151 "MPI support requested, but no MPI compiler found. Either set the "
152 "C-compiler (CMAKE_C_COMPILER) to the MPI compiler (often called mpicc), "
153 "or set the variables reported missing for MPI_C above.")
156 include(gmxTestCatamount)
157 gmx_test_catamount(GMX_CRAY_CATAMOUNT)
158 if(GMX_CRAY_CATAMOUNT)
165 set(PKG_CFLAGS "${PKG_CFLAGS} -DGMX_LIB_MPI")