src/programs/mdrun/tests/CMakeLists.txt

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  35
  36 # Make a static library for test infrastructure code that we re-use
  37 # in multiple test executables across the repository.
  38 gmx_add_unit_test_library(mdrun_test_infrastructure
  39     energyreader.cpp
  40     energycomparison.cpp
  41     moduletest.cpp
  42     simulatorcomparison.cpp
  43     terminationhelper.cpp
  44     trajectorycomparison.cpp
  45     trajectoryreader.cpp
  46     # pseudo-library for code for mdrun
  47     $<TARGET_OBJECTS:mdrun_objlib>
  48     )
  49 target_include_directories(mdrun_test_infrastructure SYSTEM PRIVATE ${PROJECT_SOURCE_DIR}/src/external)
  50
  51 # To avoid running into test timeouts, some end-to-end tests of mdrun
  52 # functionality are split off. This can be rearranged in future as we
  53 # see fit.
  54 set(testname "MdrunOutputTests")
  55 set(exename "mdrun-output-test")
  56
  57 gmx_add_gtest_executable(${exename}
  58     CPP_SOURCE_FILES
  59         compressed_x_output.cpp
  60         helpwriting.cpp
  61         outputfiles.cpp
  62         trajectory_writing.cpp
  63         # pseudo-library for code for mdrun
  64         $<TARGET_OBJECTS:mdrun_objlib>
  65     )
  66 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  67 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  68
  69 set(testname "MdrunModulesTests")
  70 set(exename "mdrun-modules-test")
  71
  72 gmx_add_gtest_executable(${exename}
  73     CPP_SOURCE_FILES
  74         densityfittingmodule.cpp
  75         interactiveMD.cpp
  76         mimic.cpp
  77         # pseudo-library for code for mdrun
  78         $<TARGET_OBJECTS:mdrun_objlib>
  79     )
  80 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  81 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  82
  83 set(testname "MdrunIOTests")
  84 set(exename "mdrun-io-test")
  85
  86 gmx_add_gtest_executable(${exename}
  87     CPP_SOURCE_FILES
  88         exactcontinuation.cpp
  89         grompp.cpp
  90         initialconstraints.cpp
  91         termination.cpp
  92         # pseudo-library for code for mdrun
  93         $<TARGET_OBJECTS:mdrun_objlib>
  94     )
  95 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  96 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  97
  98 set(testname "MdrunTests")
  99 set(exename "mdrun-test")
 100
 101 gmx_add_gtest_executable(${exename}
 102     CPP_SOURCE_FILES
 103         ewaldsurfaceterm.cpp
 104         orires.cpp
 105         pmetest.cpp
 106         simulator.cpp
 107         swapcoords.cpp
 108         tabulated_bonded_interactions.cpp
 109         # pseudo-library for code for mdrun
 110         $<TARGET_OBJECTS:mdrun_objlib>
 111     )
 112 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 113 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 114
 115
 116 set(testname "MdrunNonIntegratorTests")
 117 set(exename "mdrun-non-integrator-test")
 118
 119 gmx_add_gtest_executable(${exename}
 120     CPP_SOURCE_FILES
 121         # files with code for tests
 122         minimize.cpp
 123         nonbonded_bench.cpp
 124         normalmodes.cpp
 125         rerun.cpp
 126         simple_mdrun.cpp
 127         # pseudo-library for code for mdrun
 128         $<TARGET_OBJECTS:mdrun_objlib>
 129         )
 130 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 131 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 132
 133 # TPI does not support OpenMP, so we need a separate test binary
 134 set(testname "MdrunTpiTests")
 135 set(exename "mdrun-tpi-test")
 136
 137 gmx_add_gtest_executable(${exename}
 138     CPP_SOURCE_FILES
 139         # files with code for tests
 140         tpitest.cpp
 141         # pseudo-library for code for mdrun
 142         $<TARGET_OBJECTS:mdrun_objlib>
 143         )
 144 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 145 gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST IGNORE_LEAKS)
 146
 147 # Tests that only make sense to run with multiple ranks and/or real
 148 # MPI are implemented here.
 149 set(testname "MdrunMpiTests")
 150 set(exename "mdrun-mpi-test")
 151
 152 gmx_add_gtest_executable(${exename} MPI
 153     CPP_SOURCE_FILES
 154         # files with code for tests
 155         domain_decomposition.cpp
 156         minimize.cpp
 157         mimic.cpp
 158         multisim.cpp
 159         multisimtest.cpp
 160         pmetest.cpp
 161         replicaexchange.cpp
 162         # pseudo-library for code for mdrun
 163         $<TARGET_OBJECTS:mdrun_objlib>
 164         )
 165 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 166 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 167
 168 # Slow-running tests that target testing multiple-rank coordination behaviors
 169 set(exename "mdrun-mpi-coordination-test")
 170 gmx_add_gtest_executable(${exename} MPI
 171     CPP_SOURCE_FILES
 172         # files with code for tests
 173         periodicactions.cpp
 174         # pseudo-library for code for mdrun
 175         $<TARGET_OBJECTS:mdrun_objlib>
 176         )
 177 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 178
 179 # These tests are extremely slow without optimization or OpenMP, so only run them for
 180 # build types like Release or RelWithDebInfo and if the build has been configured
 181 # with OpenMP enabled.
 182 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
 183     set(testname "MdrunMpiCoordinationTestsOneRank")
 184     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
 185     set(testname "MdrunMpiCoordinationTestsTwoRanks")
 186     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
 187 endif()