class PmePpCommGpu::Impl
{
- public:
- /*! \brief Creates PME-PP GPU communication object.
- * \param[in] comm Communicator used for simulation
- * \param[in] pmeRank Rank of PME task
- */
- Impl(MPI_Comm comm, int pmeRank);
- ~Impl();
+public:
+ /*! \brief Creates PME-PP GPU communication object.
+ * \param[in] comm Communicator used for simulation
+ * \param[in] pmeRank Rank of PME task
+ */
+ Impl(MPI_Comm comm, int pmeRank);
+ ~Impl();
- /*! \brief Perform steps required when buffer size changes
- * \param[in] size Number of elements in buffer
- */
- void reinit(int size);
+ /*! \brief Perform steps required when buffer size changes
+ * \param[in] size Number of elements in buffer
+ */
+ void reinit(int size);
- /*! \brief Pull force buffer directly from GPU memory on PME
- * rank to either GPU or CPU memory on PP task using CUDA
- * Memory copy.
- *
- * recvPtr should be in GPU or CPU memory if recvPmeForceToGpu
- * is true or false, respectively. If receiving to GPU, this
- * method should be called before the local GPU buffer
- * operations. If receiving to CPU it should be called
- * before forces are reduced with the other force
- * contributions on the CPU. It will automatically wait for
- * remote PME force data to be ready.
- *
- * \param[out] recvPtr CPU buffer to receive PME force data
- * \param[in] recvSize Number of elements to receive
- * \param[in] receivePmeForceToGpu Whether receive is to GPU, otherwise CPU
- */
- void receiveForceFromPmeCudaDirect(void *recvPtr, int recvSize, bool receivePmeForceToGpu);
+ /*! \brief Pull force buffer directly from GPU memory on PME
+ * rank to either GPU or CPU memory on PP task using CUDA
+ * Memory copy.
+ *
+ * recvPtr should be in GPU or CPU memory if recvPmeForceToGpu
+ * is true or false, respectively. If receiving to GPU, this
+ * method should be called before the local GPU buffer
+ * operations. If receiving to CPU it should be called
+ * before forces are reduced with the other force
+ * contributions on the CPU. It will automatically wait for
+ * remote PME force data to be ready.
+ *
+ * \param[out] recvPtr CPU buffer to receive PME force data
+ * \param[in] recvSize Number of elements to receive
+ * \param[in] receivePmeForceToGpu Whether receive is to GPU, otherwise CPU
+ */
+ void receiveForceFromPmeCudaDirect(void* recvPtr, int recvSize, bool receivePmeForceToGpu);
- /*! \brief Push coordinates buffer directly to GPU memory on PME
- * task, from either GPU or CPU memory on PP task using CUDA
- * Memory copy. sendPtr should be in GPU or CPU memory if
- * sendPmeCoordinatesFromGpu is true or false respectively. If
- * sending from GPU, this method should be called after the
- * local GPU coordinate buffer operations. The remote PME task will
- * automatically wait for data to be copied before commencing PME force calculations.
- * \param[in] sendPtr Buffer with coordinate data
- * \param[in] sendSize Number of elements to send
- * \param[in] sendPmeCoordinatesFromGpu Whether send is from GPU, otherwise CPU
- * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
- */
- void sendCoordinatesToPmeCudaDirect(void *sendPtr, int sendSize, bool sendPmeCoordinatesFromGpu, GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
+ /*! \brief Push coordinates buffer directly to GPU memory on PME
+ * task, from either GPU or CPU memory on PP task using CUDA
+ * Memory copy. sendPtr should be in GPU or CPU memory if
+ * sendPmeCoordinatesFromGpu is true or false respectively. If
+ * sending from GPU, this method should be called after the
+ * local GPU coordinate buffer operations. The remote PME task will
+ * automatically wait for data to be copied before commencing PME force calculations.
+ * \param[in] sendPtr Buffer with coordinate data
+ * \param[in] sendSize Number of elements to send
+ * \param[in] sendPmeCoordinatesFromGpu Whether send is from GPU, otherwise CPU
+ * \param[in] coordinatesReadyOnDeviceEvent Event recorded when coordinates are available on device
+ */
+ void sendCoordinatesToPmeCudaDirect(void* sendPtr,
+ int sendSize,
+ bool sendPmeCoordinatesFromGpu,
+ GpuEventSynchronizer* coordinatesReadyOnDeviceEvent);
- /*! \brief
- * Return pointer to buffer used for staging PME force on GPU
- */
- void* getGpuForceStagingPtr();
+ /*! \brief
+ * Return pointer to buffer used for staging PME force on GPU
+ */
+ void* getGpuForceStagingPtr();
- /*! \brief
- * Return pointer to event recorded when forces are ready
- */
- void* getForcesReadySynchronizer();
+ /*! \brief
+ * Return pointer to event recorded when forces are ready
+ */
+ void* getForcesReadySynchronizer();
- private:
- //! CUDA stream used for the communication operations in this class
- cudaStream_t pmePpCommStream_ = nullptr;
- //! Remote location of PME coordinate data buffer
- void *remotePmeXBuffer_ = nullptr;
- //! Remote location of PME force data buffer
- void *remotePmeFBuffer_ = nullptr;
- //! communicator for simulation
- MPI_Comm comm_;
- //! Rank of PME task
- int pmeRank_ = -1;
- //! Buffer for staging PME force on GPU
- rvec *d_pmeForces_ = nullptr;
- //! number of atoms in PME force staging array
- int d_pmeForcesSize_ = -1;
- //! number of atoms allocated in recvbuf array
- int d_pmeForcesSizeAlloc_ = -1;
- //! Event recorded when PME forces are ready on PME task
- GpuEventSynchronizer forcesReadySynchronizer_;
- //! Event recorded when coordinates have been transferred to PME task
- GpuEventSynchronizer pmeCoordinatesSynchronizer_;
+private:
+ //! CUDA stream used for the communication operations in this class
+ cudaStream_t pmePpCommStream_ = nullptr;
+ //! Remote location of PME coordinate data buffer
+ void* remotePmeXBuffer_ = nullptr;
+ //! Remote location of PME force data buffer
+ void* remotePmeFBuffer_ = nullptr;
+ //! communicator for simulation
+ MPI_Comm comm_;
+ //! Rank of PME task
+ int pmeRank_ = -1;
+ //! Buffer for staging PME force on GPU
+ rvec* d_pmeForces_ = nullptr;
+ //! number of atoms in PME force staging array
+ int d_pmeForcesSize_ = -1;
+ //! number of atoms allocated in recvbuf array
+ int d_pmeForcesSizeAlloc_ = -1;
+ //! Event recorded when PME forces are ready on PME task
+ GpuEventSynchronizer forcesReadySynchronizer_;
+ //! Event recorded when coordinates have been transferred to PME task
+ GpuEventSynchronizer pmeCoordinatesSynchronizer_;
};
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff