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37 * \brief Declares CUDA implementation class for PME-PP communications
39 * \author Alan Gray <alang@nvidia.com>
41 * \ingroup module_ewald
43 #ifndef GMX_PME_PP_COMM_GPU_IMPL_H
44 #define GMX_PME_PP_COMM_GPU_IMPL_H
46 #include "gromacs/ewald/pme_pp_comm_gpu.h"
47 #include "gromacs/gpu_utils/devicebuffer_datatype.h"
48 #include "gromacs/gpu_utils/gpueventsynchronizer.cuh"
49 #include "gromacs/math/vectypes.h"
50 #include "gromacs/utility/gmxmpi.h"
55 /*! \internal \brief Class with interfaces and data for CUDA version of PME-PP Communication */
56 class PmePpCommGpu::Impl
60 /*! \brief Creates PME-PP GPU communication object.
62 * \param[in] comm Communicator used for simulation
63 * \param[in] pmeRank Rank of PME task
64 * \param[in] deviceContext GPU context.
65 * \param[in] deviceStream GPU stream.
67 Impl(MPI_Comm comm, int pmeRank, const DeviceContext& deviceContext, const DeviceStream& deviceStream);
70 /*! \brief Perform steps required when buffer size changes
71 * \param[in] size Number of elements in buffer
73 void reinit(int size);
75 /*! \brief Pull force buffer directly from GPU memory on PME
76 * rank to either GPU or CPU memory on PP task using CUDA
79 * recvPtr should be in GPU or CPU memory if recvPmeForceToGpu
80 * is true or false, respectively. If receiving to GPU, this
81 * method should be called before the local GPU buffer
82 * operations. If receiving to CPU it should be called
83 * before forces are reduced with the other force
84 * contributions on the CPU. It will automatically wait for
85 * remote PME force data to be ready.
87 * \param[out] recvPtr CPU buffer to receive PME force data
88 * \param[in] recvSize Number of elements to receive
89 * \param[in] receivePmeForceToGpu Whether receive is to GPU, otherwise CPU
91 void receiveForceFromPmeCudaDirect(void* recvPtr, int recvSize, bool receivePmeForceToGpu);
94 /*! \brief Push coordinates buffer directly to GPU memory on PME
95 * task, from either GPU or CPU memory on PP task using CUDA
96 * Memory copy. sendPtr should be in GPU or CPU memory if
97 * sendPmeCoordinatesFromGpu is true or false respectively. If
98 * sending from GPU, this method should be called after the
99 * local GPU coordinate buffer operations. The remote PME task will
100 * automatically wait for data to be copied before commencing PME force calculations.
101 * \param[in] sendPtr Buffer with coordinate data
102 * \param[in] sendSize Number of elements to send
103 * \param[in] sendPmeCoordinatesFromGpu Whether send is from GPU, otherwise CPU
104 * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
106 void sendCoordinatesToPmeCudaDirect(void* sendPtr,
108 bool sendPmeCoordinatesFromGpu,
109 GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
112 * Return pointer to buffer used for staging PME force on GPU
114 DeviceBuffer<gmx::RVec> getGpuForceStagingPtr();
117 * Return pointer to event recorded when forces are ready
119 GpuEventSynchronizer* getForcesReadySynchronizer();
122 //! GPU context handle (not used in CUDA)
123 const DeviceContext& deviceContext_;
124 //! Handle for CUDA stream used for the communication operations in this class
125 const DeviceStream& pmePpCommStream_;
126 //! Remote location of PME coordinate data buffer
127 DeviceBuffer<gmx::RVec> remotePmeXBuffer_ = nullptr;
128 //! Remote location of PME force data buffer
129 DeviceBuffer<gmx::RVec> remotePmeFBuffer_ = nullptr;
130 //! communicator for simulation
134 //! Buffer for staging PME force on GPU
135 DeviceBuffer<gmx::RVec> d_pmeForces_ = nullptr;
136 //! number of atoms in PME force staging array
137 int d_pmeForcesSize_ = -1;
138 //! number of atoms allocated in recvbuf array
139 int d_pmeForcesSizeAlloc_ = -1;
140 //! Event recorded when PME forces are ready on PME task
141 GpuEventSynchronizer forcesReadySynchronizer_;
142 //! Event recorded when coordinates have been transferred to PME task
143 GpuEventSynchronizer pmeCoordinatesSynchronizer_;