src/programs/mdrun/tests/replicaexchange.cpp

   1 /*
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  35
  36 /*! \internal \file
  37  * \brief
  38  * Tests for the mdrun replica-exchange functionality
  39  *
  40  * \author Mark Abraham <mark.j.abraham@gmail.com>
  41  * \ingroup module_mdrun_integration_tests
  42  */
  43 #include "gmxpre.h"
  44
  45 #include "config.h"
  46
  47 #include <gtest/gtest.h>
  48
  49 #include "gromacs/utility/path.h"
  50 #include "gromacs/utility/stringutil.h"
  51
  52 #include "testutils/testfilemanager.h"
  53
  54 #include "multisimtest.h"
  55
  56 namespace gmx
  57 {
  58 namespace test
  59 {
  60
  61 //! Convenience typedef
  62 typedef MultiSimTest ReplicaExchangeEnsembleTest;
  63
  64 TEST_P(ReplicaExchangeEnsembleTest, ExitsNormally)
  65 {
  66     mdrunCaller_->addOption("-replex", 1);
  67     runExitsNormallyTest();
  68 }
  69
  70 /* Note, not all preprocessor implementations nest macro expansions
  71    the same way / at all, if we would try to duplicate less code. */
  72 #if GMX_LIB_MPI
  73 INSTANTIATE_TEST_CASE_P(WithDifferentControlVariables, ReplicaExchangeEnsembleTest,
  74                             ::testing::Values("pcoupl = no", "pcoupl = Berendsen"));
  75 #else
  76 INSTANTIATE_TEST_CASE_P(DISABLED_WithDifferentControlVariables, ReplicaExchangeEnsembleTest,
  77                             ::testing::Values("pcoupl = no", "pcoupl = Berendsen"));
  78 #endif
  79
  80 //! Convenience typedef
  81 typedef MultiSimTest ReplicaExchangeTerminationTest;
  82
  83 TEST_F(ReplicaExchangeTerminationTest, WritesCheckpointAfterMaxhTerminationAndThenRestarts)
  84 {
  85     mdrunCaller_->addOption("-replex", 1);
  86     runMaxhTest();
  87 }
  88
  89 } // namespace
  90 } // namespace