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35 /*! \internal \file
36 * \brief Defines the test runner for CPU version of SETTLE.
37 *
38 * Also adds stub for the GPU version to keep the compiler happy.
39 *
40 * \author Artem Zhmurov <zhmurov@gmail.com>
41 * \ingroup module_mdlib
42 */
43 #include "gmxpre.h"
44
45 #include "settletestrunners.h"
46
47 #include "config.h"
48
49 #include <gtest/gtest.h>
50
51 #include "gromacs/mdlib/settle.h"
52
53 #include "testutils/testasserts.h"
54
55 namespace gmx
56 {
57 namespace test
58 {
59
applySettle(SettleTestData * testData,const t_pbc pbc,const bool updateVelocities,const bool calcVirial,const std::string & testDescription)60 void SettleHostTestRunner::applySettle(SettleTestData* testData,
61 const t_pbc pbc,
62 const bool updateVelocities,
63 const bool calcVirial,
64 const std::string& testDescription)
65 {
66 SettleData settled(testData->mtop_);
67
68 settled.setConstraints(testData->idef_->il[F_SETTLE], testData->numAtoms_,
69 testData->masses_.data(), testData->inverseMasses_.data());
70
71 bool errorOccured;
72 int numThreads = 1;
73 int threadIndex = 0;
74 csettle(settled, numThreads, threadIndex, &pbc, testData->x_.arrayRefWithPadding(),
75 testData->xPrime_.arrayRefWithPadding(), testData->reciprocalTimeStep_,
76 updateVelocities ? testData->v_.arrayRefWithPadding() : ArrayRefWithPadding<RVec>(),
77 calcVirial, testData->virial_, &errorOccured);
78 EXPECT_FALSE(errorOccured) << testDescription;
79 }
80
81 #if !GMX_GPU_CUDA
82
applySettle(SettleTestData *,const t_pbc,const bool,const bool,const std::string &)83 void SettleDeviceTestRunner::applySettle(SettleTestData* /* testData */,
84 const t_pbc /* pbc */,
85 const bool /* updateVelocities */,
86 const bool /* calcVirial */,
87 const std::string& /* testDescription */)
88 {
89 GMX_UNUSED_VALUE(testDevice_);
90 FAIL() << "Dummy SETTLE GPU function was called instead of the real one in the SETTLE test.";
91 }
92
93 #endif
94 } // namespace test
95 } // namespace gmx
96