src/programs/mdrun/tests/replicaexchange.cpp

   1 /*
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   6  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  36
  37 /*! \internal \file
  38  * \brief
  39  * Tests for the mdrun replica-exchange functionality
  40  *
  41  * \author Mark Abraham <mark.j.abraham@gmail.com>
  42  * \ingroup module_mdrun_integration_tests
  43  */
  44 #include "gmxpre.h"
  45
  46 #include "config.h"
  47
  48 #include <gtest/gtest.h>
  49
  50 #include "gromacs/utility/path.h"
  51 #include "gromacs/utility/stringutil.h"
  52
  53 #include "testutils/testfilemanager.h"
  54
  55 #include "multisimtest.h"
  56
  57 namespace gmx
  58 {
  59 namespace test
  60 {
  61
  62 //! Convenience typedef
  63 typedef MultiSimTest ReplicaExchangeEnsembleTest;
  64
  65 TEST_P(ReplicaExchangeEnsembleTest, ExitsNormally)
  66 {
  67     mdrunCaller_->addOption("-replex", 1);
  68     runExitsNormallyTest();
  69 }
  70
  71 /* Note, not all preprocessor implementations nest macro expansions
  72    the same way / at all, if we would try to duplicate less code. */
  73 #if GMX_LIB_MPI
  74 INSTANTIATE_TEST_CASE_P(WithDifferentControlVariables,
  75                         ReplicaExchangeEnsembleTest,
  76                         ::testing::Values("pcoupl = no", "pcoupl = Berendsen"));
  77 #else
  78 INSTANTIATE_TEST_CASE_P(DISABLED_WithDifferentControlVariables,
  79                         ReplicaExchangeEnsembleTest,
  80                         ::testing::Values("pcoupl = no", "pcoupl = Berendsen"));
  81 #endif
  82
  83 //! Convenience typedef
  84 typedef MultiSimTest ReplicaExchangeTerminationTest;
  85
  86 TEST_F(ReplicaExchangeTerminationTest, WritesCheckpointAfterMaxhTerminationAndThenRestarts)
  87 {
  88     mdrunCaller_->addOption("-replex", 1);
  89     runMaxhTest();
  90 }
  91
  92 } // namespace test
  93 } // namespace gmx