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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/gpueventsynchronizer.cuh"
48 #include "gromacs/math/vectypes.h"
49 #include "gromacs/utility/gmxmpi.h"
54 /*! \internal \brief Class with interfaces and data for CUDA version of PME-PP Communication */
55 class PmePpCommGpu::Impl
59 /*! \brief Creates PME-PP GPU communication object.
60 * \param[in] comm Communicator used for simulation
61 * \param[in] pmeRank Rank of PME task
62 * \param[in] deviceContext GPU context.
64 Impl(MPI_Comm comm, int pmeRank, const DeviceContext& deviceContext);
67 /*! \brief Perform steps required when buffer size changes
68 * \param[in] size Number of elements in buffer
70 void reinit(int size);
72 /*! \brief Pull force buffer directly from GPU memory on PME
73 * rank to either GPU or CPU memory on PP task using CUDA
76 * recvPtr should be in GPU or CPU memory if recvPmeForceToGpu
77 * is true or false, respectively. If receiving to GPU, this
78 * method should be called before the local GPU buffer
79 * operations. If receiving to CPU it should be called
80 * before forces are reduced with the other force
81 * contributions on the CPU. It will automatically wait for
82 * remote PME force data to be ready.
84 * \param[out] recvPtr CPU buffer to receive PME force data
85 * \param[in] recvSize Number of elements to receive
86 * \param[in] receivePmeForceToGpu Whether receive is to GPU, otherwise CPU
88 void receiveForceFromPmeCudaDirect(void* recvPtr, int recvSize, bool receivePmeForceToGpu);
91 /*! \brief Push coordinates buffer directly to GPU memory on PME
92 * task, from either GPU or CPU memory on PP task using CUDA
93 * Memory copy. sendPtr should be in GPU or CPU memory if
94 * sendPmeCoordinatesFromGpu is true or false respectively. If
95 * sending from GPU, this method should be called after the
96 * local GPU coordinate buffer operations. The remote PME task will
97 * automatically wait for data to be copied before commencing PME force calculations.
98 * \param[in] sendPtr Buffer with coordinate data
99 * \param[in] sendSize Number of elements to send
100 * \param[in] sendPmeCoordinatesFromGpu Whether send is from GPU, otherwise CPU
101 * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
103 void sendCoordinatesToPmeCudaDirect(void* sendPtr,
105 bool sendPmeCoordinatesFromGpu,
106 GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
109 * Return pointer to buffer used for staging PME force on GPU
111 void* getGpuForceStagingPtr();
114 * Return pointer to event recorded when forces are ready
116 void* getForcesReadySynchronizer();
119 //! Device context object
120 const DeviceContext& deviceContext_;
121 //! CUDA stream used for the communication operations in this class
122 cudaStream_t pmePpCommStream_ = nullptr;
123 //! Remote location of PME coordinate data buffer
124 void* remotePmeXBuffer_ = nullptr;
125 //! Remote location of PME force data buffer
126 void* remotePmeFBuffer_ = nullptr;
127 //! communicator for simulation
131 //! Buffer for staging PME force on GPU
132 rvec* d_pmeForces_ = nullptr;
133 //! number of atoms in PME force staging array
134 int d_pmeForcesSize_ = -1;
135 //! number of atoms allocated in recvbuf array
136 int d_pmeForcesSizeAlloc_ = -1;
137 //! Event recorded when PME forces are ready on PME task
138 GpuEventSynchronizer forcesReadySynchronizer_;
139 //! Event recorded when coordinates have been transferred to PME task
140 GpuEventSynchronizer pmeCoordinatesSynchronizer_;