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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
42 simulatorcomparison.cpp
44 trajectorycomparison.cpp
46 # pseudo-library for code for mdrun
47 $<TARGET_OBJECTS:mdrun_objlib>
49 target_include_directories(mdrun_test_infrastructure SYSTEM PRIVATE ${PROJECT_SOURCE_DIR}/src/external)
50 target_link_libraries(mdrun_test_infrastructure PUBLIC legacy_api utility)
52 # To avoid running into test timeouts, some end-to-end tests of mdrun
53 # functionality are split off. This can be rearranged in future as we
55 set(testname "MdrunOutputTests")
56 set(exename "mdrun-output-test")
58 gmx_add_gtest_executable(${exename}
60 compressed_x_output.cpp
63 trajectory_writing.cpp
64 # pseudo-library for code for mdrun
65 $<TARGET_OBJECTS:mdrun_objlib>
67 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
68 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
70 set(testname "MdrunModulesTests")
71 set(exename "mdrun-modules-test")
73 gmx_add_gtest_executable(${exename}
75 densityfittingmodule.cpp
78 # pseudo-library for code for mdrun
79 $<TARGET_OBJECTS:mdrun_objlib>
81 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
82 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
84 set(testname "MdrunIOTests")
85 set(exename "mdrun-io-test")
87 gmx_add_gtest_executable(${exename}
92 initialconstraints.cpp
94 # pseudo-library for code for mdrun
95 $<TARGET_OBJECTS:mdrun_objlib>
97 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
98 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
100 # To avoid running into test timeouts, some end-to-end tests of mdrun
101 # functionality are split off. This can be rearranged in future as we
103 set(testname "MdrunTests")
104 set(exename "mdrun-test")
106 gmx_add_gtest_executable(${exename}
109 multiple_time_stepping.cpp
112 tabulated_bonded_interactions.cpp
114 # pseudo-library for code for mdrun
115 $<TARGET_OBJECTS:mdrun_objlib>
117 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
118 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
121 set(testname "MdrunPmeTests")
122 set(exename "mdrun-pme-test")
124 gmx_add_gtest_executable(${exename}
127 # pseudo-library for code for mdrun
128 $<TARGET_OBJECTS:mdrun_objlib>
130 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
131 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
134 set(testname "MdrunNonIntegratorTests")
135 set(exename "mdrun-non-integrator-test")
137 gmx_add_gtest_executable(${exename}
139 # files with code for tests
145 # pseudo-library for code for mdrun
146 $<TARGET_OBJECTS:mdrun_objlib>
148 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
149 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
151 # TPI does not support OpenMP, so we need a separate test binary
152 set(testname "MdrunTpiTests")
153 set(exename "mdrun-tpi-test")
155 gmx_add_gtest_executable(${exename}
157 # files with code for tests
159 # pseudo-library for code for mdrun
160 $<TARGET_OBJECTS:mdrun_objlib>
162 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
163 gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST IGNORE_LEAKS)
165 # Tests that only make sense to run with multiple ranks and/or real
166 # MPI are implemented here.
167 set(testname "MdrunMpiTests")
168 set(exename "mdrun-mpi-test")
170 gmx_add_gtest_executable(${exename} MPI
172 # files with code for tests
173 domain_decomposition.cpp
177 # pseudo-library for code for mdrun
178 $<TARGET_OBJECTS:mdrun_objlib>
180 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
181 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
183 # Multi sim only makes sense with real MPI, and ideally at least 4 ranks,
184 # to allow for multiple simulations (>= 2 sims) each using DD (>= 2 ranks per sim)
185 set(testname "MdrunMultiSimTests")
186 set(exename "mdrun-multisim-test")
188 gmx_add_gtest_executable(${exename} MPI
190 # files with code for tests
193 # pseudo-library for code for mdrun
194 $<TARGET_OBJECTS:mdrun_objlib>
196 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
197 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
199 set(testname "MdrunMultiSimReplexTests")
200 set(exename "mdrun-multisim-replex-test")
202 gmx_add_gtest_executable(${exename} MPI
204 # files with code for tests
207 # pseudo-library for code for mdrun
208 $<TARGET_OBJECTS:mdrun_objlib>
210 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
211 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
213 set(testname "MdrunMultiSimReplexEquivalenceTests")
214 set(exename "mdrun-multisim-replex-equivalence-test")
216 gmx_add_gtest_executable(${exename} MPI
218 # files with code for tests
220 replicaexchange_equivalence.cpp
221 # pseudo-library for code for mdrun
222 $<TARGET_OBJECTS:mdrun_objlib>
224 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
225 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 4 INTEGRATION_TEST IGNORE_LEAKS)
227 # Tests that only make sense to run with multiple ranks and/or real
228 # MPI are implemented here. Special case for slow PME tests
229 set(testname "MdrunMpiPmeTests")
230 set(exename "mdrun-mpi-pme-test")
232 gmx_add_gtest_executable(${exename} MPI
234 # files with code for tests
236 # pseudo-library for code for mdrun
237 $<TARGET_OBJECTS:mdrun_objlib>
239 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
240 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
242 # Slow-running tests that target testing multiple-rank coordination behaviors
243 # These tests are extremely slow without optimization or OpenMP, so only run them for
244 # build types like Release or RelWithDebInfo and if the build has been configured
245 # with OpenMP enabled
246 set(exename "mdrun-mpi-coordination-basic-test")
247 gmx_add_gtest_executable(${exename} MPI
249 # files with code for tests
251 periodicactions_basic.cpp
252 # pseudo-library for code for mdrun
253 $<TARGET_OBJECTS:mdrun_objlib>
255 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
257 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
258 set(testname "MdrunMpiCoordinationBasicTestsOneRank")
259 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
260 set(testname "MdrunMpiCoordinationBasicTestsTwoRanks")
261 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
264 set(exename "mdrun-mpi-coordination-coupling-test")
265 gmx_add_gtest_executable(${exename} MPI
267 # files with code for tests
269 periodicactions_coupling.cpp
270 # pseudo-library for code for mdrun
271 $<TARGET_OBJECTS:mdrun_objlib>
273 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
275 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
276 set(testname "MdrunMpiCoordinationCouplingTestsOneRank")
277 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
278 set(testname "MdrunMpiCoordinationCouplingTestsTwoRanks")
279 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
282 set(exename "mdrun-mpi-coordination-constraints-test")
283 gmx_add_gtest_executable(${exename} MPI
285 # files with code for tests
287 periodicactions_constraints.cpp
288 # pseudo-library for code for mdrun
289 $<TARGET_OBJECTS:mdrun_objlib>
291 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
293 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
294 set(testname "MdrunMpiCoordinationConstraintsTestsOneRank")
295 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
296 set(testname "MdrunMpiCoordinationConstraintsTestsTwoRanks")
297 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
300 # Keeping the FEP tests separate for now to be able to judge runtime more easily
301 # Can be included in mdrun tests later
302 set(testname "MdrunFEPTests")
303 set(exename "mdrun-fep-test")
305 gmx_add_gtest_executable(${exename}
307 # files with code for tests
309 # pseudo-library for code for mdrun
310 $<TARGET_OBJECTS:mdrun_objlib>
312 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
313 # TODO: Link specific modules: topology
315 # End-to-end test for pull functionality
316 target_link_libraries(${exename} PRIVATE legacy_modules)
317 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
318 set(testname "MdrunPullTests")
319 set(exename "mdrun-pull-test")
321 gmx_add_gtest_executable(${exename}
323 # files with code for tests
325 # pseudo-library for code for mdrun
326 $<TARGET_OBJECTS:mdrun_objlib>
328 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
329 target_link_libraries(${exename} PRIVATE legacy_modules)
330 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
332 # End-to-end tests comparing different simulator code paths
333 set(testname "MdrunSimulatorComparison")
334 set(exename "mdrun-simulator-comparison-test")
336 gmx_add_gtest_executable(${exename}
338 # files with code for tests
340 # pseudo-library for code for mdrun
341 $<TARGET_OBJECTS:mdrun_objlib>
343 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
344 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
346 # Tests checking virtual sites - we want to run them with multiple ranks
347 set(testname "MdrunVirtualSiteTests")
348 set(exename "mdrun-vsites-test")
350 gmx_add_gtest_executable(${exename} MPI
352 # files with code for tests
354 # pseudo-library for code for mdrun
355 $<TARGET_OBJECTS:mdrun_objlib>
357 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
358 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 INTEGRATION_TEST IGNORE_LEAKS)