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36 * \brief Defines the test runner for CPU version of SETTLE.
38 * Also adds stub for the GPU version to keep the compiler happy.
40 * \author Artem Zhmurov <zhmurov@gmail.com>
41 * \ingroup module_mdlib
45 #include "settletestrunners.h"
49 #include <gtest/gtest.h>
51 #include "gromacs/mdlib/settle.h"
53 #include "testutils/testasserts.h"
60 void applySettle(SettleTestData* testData,
62 const bool updateVelocities,
63 const bool calcVirial,
64 const std::string& testDescription)
66 settledata* settled = settle_init(testData->mtop_);
68 settle_set_constraints(settled, &testData->ilist_, testData->mdatoms_);
73 csettle(settled, numThreads, threadIndex, &pbc, testData->x_.arrayRefWithPadding(),
74 testData->xPrime_.arrayRefWithPadding(), testData->reciprocalTimeStep_,
75 updateVelocities ? testData->v_.arrayRefWithPadding() : ArrayRefWithPadding<RVec>(),
76 calcVirial, testData->virial_, &errorOccured);
78 EXPECT_FALSE(errorOccured) << testDescription;
81 #if GMX_GPU != GMX_GPU_CUDA
83 void applySettleGpu(gmx_unused SettleTestData* testData,
84 gmx_unused const t_pbc pbc,
85 gmx_unused const bool updateVelocities,
86 gmx_unused const bool calcVirial,
87 gmx_unused const std::string& testDescription)
89 FAIL() << "Dummy SETTLE GPU function was called instead of the real one in the SETTLE test.";