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 ${PROJECT_SOURCE_DIR}/src/external)
  50 target_link_libraries(mdrun_test_infrastructure PUBLIC legacy_api)
  51
  52 # To avoid running into test timeouts, some end-to-end tests of mdrun
  53 # functionality are split off. This can be rearranged in future as we
  54 # see fit.
  55 set(testname "MdrunOutputTests")
  56 set(exename "mdrun-output-test")
  57
  58 gmx_add_gtest_executable(${exename}
  59     CPP_SOURCE_FILES
  60         compressed_x_output.cpp
  61         helpwriting.cpp
  62         outputfiles.cpp
  63         trajectory_writing.cpp
  64         # pseudo-library for code for mdrun
  65         $<TARGET_OBJECTS:mdrun_objlib>
  66     )
  67 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  68 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  69
  70 set(testname "MdrunModulesTests")
  71 set(exename "mdrun-modules-test")
  72
  73 gmx_add_gtest_executable(${exename}
  74     CPP_SOURCE_FILES
  75         densityfittingmodule.cpp
  76         interactiveMD.cpp
  77         mimic.cpp
  78         # pseudo-library for code for mdrun
  79         $<TARGET_OBJECTS:mdrun_objlib>
  80     )
  81 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  82 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  83
  84 set(testname "MdrunIOTests")
  85 set(exename "mdrun-io-test")
  86
  87 gmx_add_gtest_executable(${exename}
  88     CPP_SOURCE_FILES
  89         checkpoint.cpp
  90         exactcontinuation.cpp
  91         grompp.cpp
  92         initialconstraints.cpp
  93         termination.cpp
  94         # pseudo-library for code for mdrun
  95         $<TARGET_OBJECTS:mdrun_objlib>
  96     )
  97 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
  98 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
  99
 100 # To avoid running into test timeouts, some end-to-end tests of mdrun
 101 # functionality are split off. This can be rearranged in future as we
 102 # see fit.
 103 set(testname "MdrunTests")
 104 set(exename "mdrun-test")
 105
 106 gmx_add_gtest_executable(${exename}
 107     CPP_SOURCE_FILES
 108         ewaldsurfaceterm.cpp
 109         multiple_time_stepping.cpp
 110         orires.cpp
 111         swapcoords.cpp
 112         tabulated_bonded_interactions.cpp
 113         # pseudo-library for code for mdrun
 114         $<TARGET_OBJECTS:mdrun_objlib>
 115     )
 116 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 117 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 118
 119
 120 set(testname "MdrunPmeTests")
 121 set(exename "mdrun-pme-test")
 122
 123 gmx_add_gtest_executable(${exename}
 124     CPP_SOURCE_FILES
 125         pmetest.cpp
 126         # pseudo-library for code for mdrun
 127         $<TARGET_OBJECTS:mdrun_objlib>
 128     )
 129 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 130 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 131
 132
 133 set(testname "MdrunNonIntegratorTests")
 134 set(exename "mdrun-non-integrator-test")
 135
 136 gmx_add_gtest_executable(${exename}
 137     CPP_SOURCE_FILES
 138         # files with code for tests
 139         minimize.cpp
 140         nonbonded_bench.cpp
 141         normalmodes.cpp
 142         rerun.cpp
 143         simple_mdrun.cpp
 144         # pseudo-library for code for mdrun
 145         $<TARGET_OBJECTS:mdrun_objlib>
 146         )
 147 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 148 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 149
 150 # TPI does not support OpenMP, so we need a separate test binary
 151 set(testname "MdrunTpiTests")
 152 set(exename "mdrun-tpi-test")
 153
 154 gmx_add_gtest_executable(${exename}
 155     CPP_SOURCE_FILES
 156         # files with code for tests
 157         tpitest.cpp
 158         # pseudo-library for code for mdrun
 159         $<TARGET_OBJECTS:mdrun_objlib>
 160         )
 161 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 162 gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST IGNORE_LEAKS)
 163
 164 # Tests that only make sense to run with multiple ranks and/or real
 165 # MPI are implemented here.
 166 set(testname "MdrunMpiTests")
 167 set(exename "mdrun-mpi-test")
 168
 169 gmx_add_gtest_executable(${exename} MPI
 170     CPP_SOURCE_FILES
 171         # files with code for tests
 172         domain_decomposition.cpp
 173         minimize.cpp
 174         mimic.cpp
 175         multisim.cpp
 176         multisimtest.cpp
 177         replicaexchange.cpp
 178         pmetest.cpp
 179         # pseudo-library for code for mdrun
 180         $<TARGET_OBJECTS:mdrun_objlib>
 181         )
 182 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 183 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 184
 185 # Tests that only make sense to run with multiple ranks and/or real
 186 # MPI are implemented here. Special case for slow PME tests
 187 set(testname "MdrunMpiPmeTests")
 188 set(exename "mdrun-mpi-pme-test")
 189
 190 gmx_add_gtest_executable(${exename} MPI
 191     CPP_SOURCE_FILES
 192         # files with code for tests
 193         pmetest.cpp
 194         # pseudo-library for code for mdrun
 195         $<TARGET_OBJECTS:mdrun_objlib>
 196         )
 197 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 198 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 199
 200 # Slow-running tests that target testing multiple-rank coordination behaviors
 201 set(exename "mdrun-mpi-coordination-test")
 202 gmx_add_gtest_executable(${exename} MPI
 203     CPP_SOURCE_FILES
 204         # files with code for tests
 205         periodicactions.cpp
 206         # pseudo-library for code for mdrun
 207         $<TARGET_OBJECTS:mdrun_objlib>
 208         )
 209 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 210
 211 # These tests are extremely slow without optimization or OpenMP, so only run them for
 212 # build types like Release or RelWithDebInfo and if the build has been configured
 213 # with OpenMP enabled.
 214 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
 215     set(testname "MdrunMpiCoordinationTestsOneRank")
 216     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
 217     set(testname "MdrunMpiCoordinationTestsTwoRanks")
 218     gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
 219 endif()
 220
 221 # Keeping the FEP tests separate for now to be able to judge runtime more easily
 222 # Can be included in mdrun tests later
 223 set(testname "MdrunFEPTests")
 224 set(exename "mdrunfep-test")
 225
 226 gmx_add_gtest_executable(${exename}
 227         CPP_SOURCE_FILES
 228         # files with code for tests
 229         freeenergy.cpp
 230         # pseudo-library for code for mdrun
 231         $<TARGET_OBJECTS:mdrun_objlib>
 232 )
 233 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 234 # TODO: Link specific modules: topology
 235 target_link_libraries(${exename} PRIVATE legacy_modules)
 236 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
 237
 238 # End-to-end tests comparing different simulator code paths
 239 set(testname "MdrunSimulatorComparison")
 240 set(exename "mdrun-simulator-comparison-test")
 241
 242 gmx_add_gtest_executable(${exename}
 243         CPP_SOURCE_FILES
 244         # files with code for tests
 245         simulator.cpp
 246         # pseudo-library for code for mdrun
 247         $<TARGET_OBJECTS:mdrun_objlib>
 248         )
 249 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
 250 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)