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