gmx_add_unit_test(MdlibUnitTest mdlib-test HARDWARE_DETECTION
CPP_SOURCE_FILES
calc_verletbuf.cpp
- calcvir.cpp
+ calcvir.cpp
constr.cpp
constrtestdata.cpp
constrtestrunners.cpp
ebin.cpp
- energydrifttracker.cpp
+ energydrifttracker.cpp
energyoutput.cpp
expanded.cpp
freeenergyparameters.cpp
updategroups.cpp
updategroupscog.cpp
GPU_CPP_SOURCE_FILES
+ constrtestrunners_gpu.cpp
leapfrogtestrunners_gpu.cpp
- CUDA_CU_SOURCE_FILES
- constrtestrunners.cu
- settletestrunners.cu
+ settletestrunners_gpu.cpp
)
// Add runners for CPU versions of SHAKE and LINCS
runners.emplace_back(std::make_unique<ShakeConstraintsRunner>());
runners.emplace_back(std::make_unique<LincsConstraintsRunner>());
- // If using CUDA, add runners for the GPU version of LINCS for each available GPU
- if (GMX_GPU_CUDA)
+ // If supported, add runners for the GPU version of LINCS for each available GPU
+ const bool addGpuRunners = GPU_CONSTRAINTS_SUPPORTED;
+ if (addGpuRunners)
{
for (const auto& testDevice : getTestHardwareEnvironment()->getTestDeviceList())
{
done_lincs(lincsd);
}
-#if !GMX_GPU_CUDA
-void LincsDeviceConstraintsRunner::applyConstraints(ConstraintsTestData* /* testData */, t_pbc /* pbc */)
-{
- GMX_UNUSED_VALUE(testDevice_);
- FAIL() << "Dummy LINCS CUDA function was called instead of the real one.";
-}
-#endif // !GMX_GPU_CUDA
-
} // namespace test
} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "constrtestdata.h"
+/*
+ * GPU version of constraints is only available with CUDA.
+ */
+#define GPU_CONSTRAINTS_SUPPORTED (GMX_GPU_CUDA)
+
struct t_pbc;
namespace gmx
*/
#include "gmxpre.h"
-#include "constrtestrunners.h"
-
-#include <assert.h>
+#include "config.h"
-#include <cmath>
+#include <gtest/gtest.h>
-#include <algorithm>
-#include <vector>
+#include "constrtestrunners.h"
-#include "gromacs/gpu_utils/devicebuffer.cuh"
+#if GPU_CONSTRAINTS_SUPPORTED
+# include "gromacs/gpu_utils/devicebuffer.h"
+#endif
#include "gromacs/gpu_utils/gputraits.h"
-#include "gromacs/hardware/device_information.h"
#include "gromacs/mdlib/lincs_gpu.h"
#include "gromacs/pbcutil/pbc.h"
-#include "gromacs/utility/unique_cptr.h"
namespace gmx
{
namespace test
{
+#if GPU_CONSTRAINTS_SUPPORTED
+
void LincsDeviceConstraintsRunner::applyConstraints(ConstraintsTestData* testData, t_pbc pbc)
{
const DeviceContext& deviceContext = testDevice_.deviceContext();
freeDeviceBuffer(&d_v);
}
+#else // GPU_CONSTRAINTS_SUPPORTED
+
+void LincsDeviceConstraintsRunner::applyConstraints(ConstraintsTestData* /* testData */, t_pbc /* pbc */)
+{
+ GMX_UNUSED_VALUE(testDevice_);
+ FAIL() << "Dummy LINCS GPU function was called instead of the real one.";
+}
+
+#endif // GPU_CONSTRAINTS_SUPPORTED
+
} // namespace test
} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
std::vector<std::unique_ptr<ILeapFrogTestRunner>> runners;
// Add runners for CPU version
runners.emplace_back(std::make_unique<LeapFrogHostTestRunner>());
- // If using CUDA, add runners for the GPU version for each available GPU
- const bool addGpuRunners = HAVE_GPU_LEAPFROG;
+ // If supported, add runners for the GPU version for each available GPU
+ const bool addGpuRunners = GPU_LEAPFROG_SUPPORTED;
if (addGpuRunners)
{
for (const auto& testDevice : getTestHardwareEnvironment()->getTestDeviceList())
/*
* LeapFrog is available with CUDA and SYCL.
*/
-#define HAVE_GPU_LEAPFROG (GMX_GPU_CUDA || GMX_GPU_SYCL)
+#define GPU_LEAPFROG_SUPPORTED (GMX_GPU_CUDA || GMX_GPU_SYCL)
namespace gmx
{
#include "leapfrogtestrunners.h"
-#if GMX_GPU_CUDA
-# include "gromacs/gpu_utils/devicebuffer.cuh"
+#if GPU_LEAPFROG_SUPPORTED
+# include "gromacs/gpu_utils/devicebuffer.h"
#endif
-#if GMX_GPU_SYCL
-# include "gromacs/gpu_utils/devicebuffer_sycl.h"
-#endif
-
-#if HAVE_GPU_LEAPFROG
-# include "gromacs/mdlib/leapfrog_gpu.h"
-#endif
-
#include "gromacs/gpu_utils/gputraits.h"
-#include "gromacs/hardware/device_information.h"
+#include "gromacs/mdlib/leapfrog_gpu.h"
#include "gromacs/mdlib/stat.h"
namespace gmx
namespace test
{
-#if HAVE_GPU_LEAPFROG
+#if GPU_LEAPFROG_SUPPORTED
+
void LeapFrogDeviceTestRunner::integrate(LeapFrogTestData* testData, int numSteps)
{
const DeviceContext& deviceContext = testDevice_.deviceContext();
freeDeviceBuffer(&d_f);
}
-#else // HAVE_GPU_LEAPFROG
+#else // GPU_LEAPFROG_SUPPORTED
void LeapFrogDeviceTestRunner::integrate(LeapFrogTestData* /* testData */, int /* numSteps */)
{
FAIL() << "Dummy Leap-Frog GPU function was called instead of the real one.";
}
-#endif // HAVE_GPU_LEAPFROG
+#endif // GPU_LEAPFROG_SUPPORTED
} // namespace test
} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014,2015,2016,2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015,2016,2018,2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
std::vector<std::unique_ptr<ISettleTestRunner>> runners;
// Add runners for CPU version
runners.emplace_back(std::make_unique<SettleHostTestRunner>());
- // If using CUDA, add runners for the GPU version for each available GPU
- if (GMX_GPU_CUDA)
+ // If supported, add runners for the GPU version for each available GPU
+ const bool addGpuRunners = GPU_SETTLE_SUPPORTED;
+ if (addGpuRunners)
{
for (const auto& testDevice : getTestHardwareEnvironment()->getTestDeviceList())
{
EXPECT_FALSE(errorOccured) << testDescription;
}
-#if !GMX_GPU_CUDA
-
-void SettleDeviceTestRunner::applySettle(SettleTestData* /* testData */,
- const t_pbc /* pbc */,
- const bool /* updateVelocities */,
- const bool /* calcVirial */,
- const std::string& /* testDescription */)
-{
- GMX_UNUSED_VALUE(testDevice_);
- FAIL() << "Dummy SETTLE GPU function was called instead of the real one in the SETTLE test.";
-}
-
-#endif
} // namespace test
} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
#include "settletestdata.h"
+/*
+ * GPU version of SETTLE is only available with CUDA.
+ */
+#define GPU_SETTLE_SUPPORTED (GMX_GPU_CUDA)
+
struct t_pbc;
namespace gmx
*/
#include "gmxpre.h"
-#include "settletestrunners.h"
-
#include "config.h"
-#include <assert.h>
+#include <gtest/gtest.h>
-#include <cmath>
-
-#include <algorithm>
-#include <vector>
+#include "settletestrunners.h"
-#include "gromacs/gpu_utils/devicebuffer.cuh"
+#if GPU_SETTLE_SUPPORTED
+# include "gromacs/gpu_utils/devicebuffer.h"
+#endif
#include "gromacs/gpu_utils/gputraits.h"
-#include "gromacs/hardware/device_information.h"
#include "gromacs/mdlib/settle_gpu.h"
-#include "gromacs/utility/unique_cptr.h"
-
-#include "testutils/test_device.h"
namespace gmx
{
namespace test
{
+#if GPU_SETTLE_SUPPORTED
+
void SettleDeviceTestRunner::applySettle(SettleTestData* testData,
const t_pbc pbc,
const bool updateVelocities,
const bool calcVirial,
const std::string& /* testDescription */)
{
- // These should never fail since this function should only be called if CUDA is enabled and
- // there is a CUDA-capable device available.
- GMX_RELEASE_ASSERT(GMX_GPU_CUDA, "CUDA version of SETTLE was called from non-CUDA build.");
-
const DeviceContext& deviceContext = testDevice_.deviceContext();
const DeviceStream& deviceStream = testDevice_.deviceStream();
setActiveDevice(testDevice_.deviceInfo());
freeDeviceBuffer(&d_v);
}
+#else // GPU_SETTLE_SUPPORTED
+
+void SettleDeviceTestRunner::applySettle(SettleTestData* /* testData */,
+ const t_pbc /* pbc */,
+ const bool /* updateVelocities */,
+ const bool /* calcVirial */,
+ const std::string& /* testDescription */)
+{
+ GMX_UNUSED_VALUE(testDevice_);
+ FAIL() << "Dummy SETTLE GPU function was called instead of the real one in the SETTLE test.";
+}
+
+#endif // GPU_SETTLE_SUPPORTED
+
} // namespace test
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff