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