#include <string>
#include "gromacs/ewald/ewald_utils.h"
+#include "gromacs/gpu_utils/device_context.h"
+#include "gromacs/gpu_utils/device_stream.h"
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/invertmatrix.h"
#include "gromacs/math/units.h"
pmeGpu->archSpecific->syncSpreadGridD2H.waitForEvent();
}
-void pme_gpu_init_internal(PmeGpu* pmeGpu)
+/*! \brief Internal GPU initialization for PME.
+ *
+ * \param[in] pmeGpu GPU PME data.
+ * \param[in] deviceContext GPU context.
+ * \param[in] deviceStream GPU stream.
+ */
+static void pme_gpu_init_internal(PmeGpu* pmeGpu, const DeviceContext& deviceContext, const DeviceStream& deviceStream)
{
#if GMX_GPU == GMX_GPU_CUDA
// Prepare to use the device that this PME task was assigned earlier.
// Other entities, such as CUDA timing events, are known to implicitly use the device context.
- CU_RET_ERR(cudaSetDevice(pmeGpu->deviceInfo->id), "Switching to PME CUDA device");
+ CU_RET_ERR(cudaSetDevice(deviceContext.deviceInfo().id), "Switching to PME CUDA device");
#endif
/* Allocate the target-specific structures */
- pmeGpu->archSpecific.reset(new PmeGpuSpecific(pmeGpu->programHandle_->impl_->deviceContext_));
+ pmeGpu->archSpecific.reset(new PmeGpuSpecific(deviceContext, deviceStream));
pmeGpu->kernelParams.reset(new PmeGpuKernelParams());
pmeGpu->archSpecific->performOutOfPlaceFFT = true;
* TODO: PME could also try to pick up nice grid sizes (with factors of 2, 3, 5, 7).
*/
- // timing enabling - TODO put this in gpu_utils (even though generally this is just option handling?) and reuse in NB
- if (GMX_GPU == GMX_GPU_CUDA)
- {
- /* WARNING: CUDA timings are incorrect with multiple streams.
- * This is the main reason why they are disabled by default.
- */
- // TODO: Consider turning on by default when we can detect nr of streams.
- pmeGpu->archSpecific->useTiming = (getenv("GMX_ENABLE_GPU_TIMING") != nullptr);
- }
- else if (GMX_GPU == GMX_GPU_OPENCL)
- {
- pmeGpu->archSpecific->useTiming = (getenv("GMX_DISABLE_GPU_TIMING") == nullptr);
- }
-
#if GMX_GPU == GMX_GPU_CUDA
- pmeGpu->maxGridWidthX = pmeGpu->deviceInfo->prop.maxGridSize[0];
+ pmeGpu->maxGridWidthX = deviceContext.deviceInfo().prop.maxGridSize[0];
#elif GMX_GPU == GMX_GPU_OPENCL
pmeGpu->maxGridWidthX = INT32_MAX / 2;
// TODO: is there no really global work size limit in OpenCL?
#endif
-
- /* Creating a PME GPU stream:
- * - default high priority with CUDA
- * - no priorities implemented yet with OpenCL; see #2532
- */
- pmeGpu->archSpecific->pmeStream_.init(pmeGpu->archSpecific->deviceContext_,
- DeviceStreamPriority::High, pmeGpu->archSpecific->useTiming);
}
void pme_gpu_reinit_3dfft(const PmeGpu* pmeGpu)
* TODO: this should become PmeGpu::PmeGpu()
*
* \param[in,out] pme The PME structure.
- * \param[in,out] deviceInfo The GPU device information structure.
- * \param[in] pmeGpuProgram The handle to the program/kernel data created outside (e.g. in unit tests/runner)
+ * \param[in] deviceContext The GPU context.
+ * \param[in] deviceStream The GPU stream.
+ * \param[in,out] pmeGpuProgram The handle to the program/kernel data created outside (e.g. in unit tests/runner)
*/
-static void pme_gpu_init(gmx_pme_t* pme, const DeviceInformation* deviceInfo, const PmeGpuProgram* pmeGpuProgram)
+static void pme_gpu_init(gmx_pme_t* pme,
+ const DeviceContext& deviceContext,
+ const DeviceStream& deviceStream,
+ const PmeGpuProgram* pmeGpuProgram)
{
- GMX_ASSERT(deviceInfo != nullptr,
- "Device information can not be nullptr when GPU is used for PME.");
pme->gpu = new PmeGpu();
PmeGpu* pmeGpu = pme->gpu;
changePinningPolicy(&pmeGpu->staging.h_forces, pme_get_pinning_policy());
pme_gpu_set_testing(pmeGpu, false);
- pmeGpu->deviceInfo = deviceInfo;
GMX_ASSERT(pmeGpuProgram != nullptr, "GPU kernels must be already compiled");
pmeGpu->programHandle_ = pmeGpuProgram;
pmeGpu->initializedClfftLibrary_ = std::make_unique<gmx::ClfftInitializer>();
- pme_gpu_init_internal(pmeGpu);
+ pme_gpu_init_internal(pmeGpu, deviceContext, deviceStream);
pme_gpu_alloc_energy_virial(pmeGpu);
pme_gpu_copy_common_data_from(pme);
}
}
-void pme_gpu_reinit(gmx_pme_t* pme, const DeviceInformation* deviceInfo, const PmeGpuProgram* pmeGpuProgram)
+void pme_gpu_reinit(gmx_pme_t* pme,
+ const DeviceContext* deviceContext,
+ const DeviceStream* deviceStream,
+ const PmeGpuProgram* pmeGpuProgram)
{
GMX_ASSERT(pme != nullptr, "Need valid PME object");
- if (pme->runMode == PmeRunMode::CPU)
- {
- GMX_ASSERT(pme->gpu == nullptr, "Should not have PME GPU object");
- return;
- }
if (!pme->gpu)
{
+ GMX_RELEASE_ASSERT(deviceContext != nullptr,
+ "Device context can not be nullptr when setting up PME on GPU.");
+ GMX_RELEASE_ASSERT(deviceStream != nullptr,
+ "Device stream can not be nullptr when setting up PME on GPU.");
/* First-time initialization */
- pme_gpu_init(pme, deviceInfo, pmeGpuProgram);
+ pme_gpu_init(pme, *deviceContext, *deviceStream, pmeGpuProgram);
}
else
{
pmeGpu->kernelParams->atoms.d_coordinates = d_x;
}
-const DeviceStream* pme_gpu_get_stream(const PmeGpu* pmeGpu)
-{
- if (pmeGpu)
- {
- return &pmeGpu->archSpecific->pmeStream_;
- }
- else
- {
- return nullptr;
- }
-}
-
GpuEventSynchronizer* pme_gpu_get_forces_ready_synchronizer(const PmeGpu* pmeGpu)
{
if (pmeGpu && pmeGpu->kernelParams)
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff