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         simulator.cpp
 106         swapcoords.cpp
 107         tabulated_bonded_interactions.cpp
 108         # pseudo-library for code for mdrun
 109         $<TARGET_OBJECTS:mdrun_objlib>
 110     )
 111 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 112 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 113
 114
 115 set(testname "MdrunPmeTests")
 116 set(exename "mdrun-pme-test")
 117
 118 gmx_add_gtest_executable(${exename}
 119     CPP_SOURCE_FILES
 120         pmetest.cpp
 121         # pseudo-library for code for mdrun
 122         $<TARGET_OBJECTS:mdrun_objlib>
 123     )
 124 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 125 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 126
 127
 128 set(testname "MdrunNonIntegratorTests")
 129 set(exename "mdrun-non-integrator-test")
 130
 131 gmx_add_gtest_executable(${exename}
 132     CPP_SOURCE_FILES
 133         # files with code for tests
 134         minimize.cpp
 135         nonbonded_bench.cpp
 136         normalmodes.cpp
 137         rerun.cpp
 138         simple_mdrun.cpp
 139         # pseudo-library for code for mdrun
 140         $<TARGET_OBJECTS:mdrun_objlib>
 141         )
 142 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 143 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 144
 145 # TPI does not support OpenMP, so we need a separate test binary
 146 set(testname "MdrunTpiTests")
 147 set(exename "mdrun-tpi-test")
 148
 149 gmx_add_gtest_executable(${exename}
 150     CPP_SOURCE_FILES
 151         # files with code for tests
 152         tpitest.cpp
 153         # pseudo-library for code for mdrun
 154         $<TARGET_OBJECTS:mdrun_objlib>
 155         )
 156 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 157 gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST IGNORE_LEAKS)
 158
 159 # Tests that only make sense to run with multiple ranks and/or real
 160 # MPI are implemented here.
 161 set(testname "MdrunMpiTests")
 162 set(exename "mdrun-mpi-test")
 163
 164 gmx_add_gtest_executable(${exename} MPI
 165     CPP_SOURCE_FILES
 166         # files with code for tests
 167         domain_decomposition.cpp
 168         minimize.cpp
 169         mimic.cpp
 170         multisim.cpp
 171         multisimtest.cpp
 172         pmetest.cpp
 173         replicaexchange.cpp
 174         # pseudo-library for code for mdrun
 175         $<TARGET_OBJECTS:mdrun_objlib>
 176         )
 177 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 178 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 179
 180 # Slow-running tests that target testing multiple-rank coordination behaviors
 181 set(exename "mdrun-mpi-coordination-test")
 182 gmx_add_gtest_executable(${exename} MPI
 183     CPP_SOURCE_FILES
 184         # files with code for tests
 185         periodicactions.cpp
 186         # pseudo-library for code for mdrun
 187         $<TARGET_OBJECTS:mdrun_objlib>
 188         )
 189 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 190
 191 # These tests are extremely slow without optimization or OpenMP, so only run them for
 192 # build types like Release or RelWithDebInfo and if the build has been configured
 193 # with OpenMP enabled.
 194 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
 195     set(testname "MdrunMpiCoordinationTestsOneRank")
 196     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
 197     set(testname "MdrunMpiCoordinationTestsTwoRanks")
 198     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
 199 endif()