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35 /*! \libinternal \file
36 * \brief Declaration of GPU PME-PP Communication.
38 * \author Alan Gray <alang@nvidia.com>
40 * \ingroup module_ewald
42 #ifndef GMX_PME_PP_COMM_GPU_H
43 #define GMX_PME_PP_COMM_GPU_H
47 #include "gromacs/gpu_utils/devicebuffer_datatype.h"
48 #include "gromacs/math/vectypes.h"
49 #include "gromacs/utility/gmxmpi.h"
53 class GpuEventSynchronizer;
58 class DeviceStreamManager;
62 * \brief Manages communication related to GPU buffers between this
63 * PME rank and its PP rank. */
68 /*! \brief Creates PME-PP GPU communication object
69 * \param[in] comm Communicator used for simulation
70 * \param[in] pmeRank Rank of PME task
71 * \param[in] deviceContext GPU context.
72 * \param[in] deviceStream GPU stream.
74 PmePpCommGpu(MPI_Comm comm, int pmeRank, const DeviceContext& deviceContext, const DeviceStream& deviceStream);
77 /*! \brief Perform steps required when buffer size changes
78 * \param[in] size Number of elements in buffer
80 void reinit(int size);
83 * Pull data from PME GPU directly using CUDA Memory copy.
84 * \param[out] recvPtr Buffer to receive PME force data
85 * \param[in] recvSize Number of elements to receive
86 * \param[in] recvPmeForceToGpu Whether receive is to GPU, otherwise CPU
88 void receiveForceFromPme(RVec* recvPtr, int recvSize, bool recvPmeForceToGpu);
90 /*! \brief Push coordinates buffer directly to GPU memory on PME task
91 * \param[in] sendPtr Buffer with coordinate data
92 * \param[in] sendSize Number of elements to send
93 * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
95 void sendCoordinatesToPmeFromGpu(DeviceBuffer<RVec> sendPtr,
97 GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
99 /*! \brief Push coordinates buffer from host memory directly to GPU memory on PME task
100 * \param[in] sendPtr Buffer with coordinate data
101 * \param[in] sendSize Number of elements to send
102 * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
104 void sendCoordinatesToPmeFromCpu(RVec* sendPtr,
106 GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
109 * Return pointer to buffer used for staging PME force on GPU
111 DeviceBuffer<gmx::RVec> getGpuForceStagingPtr();
114 * Return pointer to event recorded when forces are ready
116 GpuEventSynchronizer* getForcesReadySynchronizer();
120 std::unique_ptr<Impl> impl_;