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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 ${PROJECT_SOURCE_DIR}/src/external)
51 # To avoid running into test timeouts, some end-to-end tests of mdrun
52 # functionality are split off. This can be rearranged in future as we
54 set(testname "MdrunOutputTests")
55 set(exename "mdrun-output-test")
57 gmx_add_gtest_executable(${exename}
59 compressed_x_output.cpp
62 trajectory_writing.cpp
63 # pseudo-library for code for mdrun
64 $<TARGET_OBJECTS:mdrun_objlib>
66 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
67 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
69 set(testname "MdrunModulesTests")
70 set(exename "mdrun-modules-test")
72 gmx_add_gtest_executable(${exename}
74 densityfittingmodule.cpp
77 # pseudo-library for code for mdrun
78 $<TARGET_OBJECTS:mdrun_objlib>
80 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
81 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
83 set(testname "MdrunIOTests")
84 set(exename "mdrun-io-test")
86 gmx_add_gtest_executable(${exename}
91 initialconstraints.cpp
93 # pseudo-library for code for mdrun
94 $<TARGET_OBJECTS:mdrun_objlib>
96 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
97 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
99 # To avoid running into test timeouts, some end-to-end tests of mdrun
100 # functionality are split off. This can be rearranged in future as we
102 set(testname "MdrunTests")
103 set(exename "mdrun-test")
105 gmx_add_gtest_executable(${exename}
108 multiple_time_stepping.cpp
111 tabulated_bonded_interactions.cpp
112 # pseudo-library for code for mdrun
113 $<TARGET_OBJECTS:mdrun_objlib>
115 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
116 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
119 set(testname "MdrunPmeTests")
120 set(exename "mdrun-pme-test")
122 gmx_add_gtest_executable(${exename}
125 # pseudo-library for code for mdrun
126 $<TARGET_OBJECTS:mdrun_objlib>
128 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
129 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
132 set(testname "MdrunNonIntegratorTests")
133 set(exename "mdrun-non-integrator-test")
135 gmx_add_gtest_executable(${exename}
137 # files with code for tests
143 # pseudo-library for code for mdrun
144 $<TARGET_OBJECTS:mdrun_objlib>
146 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
147 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
149 # TPI does not support OpenMP, so we need a separate test binary
150 set(testname "MdrunTpiTests")
151 set(exename "mdrun-tpi-test")
153 gmx_add_gtest_executable(${exename}
155 # files with code for tests
157 # pseudo-library for code for mdrun
158 $<TARGET_OBJECTS:mdrun_objlib>
160 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
161 gmx_register_gtest_test(${testname} ${exename} INTEGRATION_TEST IGNORE_LEAKS)
163 # Tests that only make sense to run with multiple ranks and/or real
164 # MPI are implemented here.
165 set(testname "MdrunMpiTests")
166 set(exename "mdrun-mpi-test")
168 gmx_add_gtest_executable(${exename} MPI
170 # files with code for tests
171 domain_decomposition.cpp
178 # pseudo-library for code for mdrun
179 $<TARGET_OBJECTS:mdrun_objlib>
181 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
182 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
184 # Tests that only make sense to run with multiple ranks and/or real
185 # MPI are implemented here. Special case for slow PME tests
186 set(testname "MdrunMpiPmeTests")
187 set(exename "mdrun-mpi-pme-test")
189 gmx_add_gtest_executable(${exename} MPI
191 # 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} ${exename} MPI_RANKS 2 OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
199 # Slow-running tests that target testing multiple-rank coordination behaviors
200 set(exename "mdrun-mpi-coordination-test")
201 gmx_add_gtest_executable(${exename} MPI
203 # files with code for tests
205 # pseudo-library for code for mdrun
206 $<TARGET_OBJECTS:mdrun_objlib>
208 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
210 # These tests are extremely slow without optimization or OpenMP, so only run them for
211 # build types like Release or RelWithDebInfo and if the build has been configured
212 # with OpenMP enabled.
213 if (CMAKE_BUILD_TYPE MATCHES "Rel" AND GMX_OPENMP)
214 set(testname "MdrunMpiCoordinationTestsOneRank")
215 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 1 SLOW_TEST IGNORE_LEAKS)
216 set(testname "MdrunMpiCoordinationTestsTwoRanks")
217 gmx_register_gtest_test(${testname} ${exename} MPI_RANKS 2 SLOW_TEST IGNORE_LEAKS)
220 # Keeping the FEP tests separate for now to be able to judge runtime more easily
221 # Can be included in mdrun tests later
222 set(testname "MdrunFEPTests")
223 set(exename "mdrunfep-test")
225 gmx_add_gtest_executable(${exename}
227 # files with code for tests
229 # pseudo-library for code for mdrun
230 $<TARGET_OBJECTS:mdrun_objlib>
232 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
233 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)
235 # End-to-end tests comparing different simulator code paths
236 set(testname "MdrunSimulatorComparison")
237 set(exename "mdrun-simulator-comparison-test")
239 gmx_add_gtest_executable(${exename}
241 # files with code for tests
243 # pseudo-library for code for mdrun
244 $<TARGET_OBJECTS:mdrun_objlib>
246 target_link_libraries(${exename} PRIVATE mdrun_test_infrastructure)
247 gmx_register_gtest_test(${testname} ${exename} OPENMP_THREADS 2 INTEGRATION_TEST IGNORE_LEAKS)