src/gromacs/ewald/pme_force_sender_gpu.h

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  35 /*! \libinternal \file
  36  * \brief Declaration of class which sends PME Force from GPU memory to PP task
  37  *
  38  * \author Alan Gray <alang@nvidia.com>
  39  * \inlibraryapi
  40  * \ingroup module_ewald
  41  */
  42 #ifndef GMX_PMEFORCESENDERGPU_H
  43 #define GMX_PMEFORCESENDERGPU_H
  44
  45 #include "gromacs/math/vectypes.h"
  46 #include "gromacs/utility/classhelpers.h"
  47 #include "gromacs/utility/gmxmpi.h"
  48
  49 class DeviceStream;
  50
  51 /*! \libinternal
  52  * \brief Contains information about the PP ranks that partner this PME rank. */
  53 struct PpRanks
  54 {
  55     //! The MPI rank ID of this partner PP rank.
  56     int rankId = -1;
  57     //! The number of atoms to communicate with this partner PP rank.
  58     int numAtoms = -1;
  59 };
  60
  61 namespace gmx
  62 {
  63
  64 template<typename T>
  65 class ArrayRef;
  66
  67 /*! \libinternal
  68  * \brief Manages sending forces from PME-only ranks to their PP ranks. */
  69 class PmeForceSenderGpu
  70 {
  71
  72 public:
  73     /*! \brief Creates PME GPU Force sender object
  74      * \param[in] pmeStream       CUDA stream used for PME computations
  75      * \param[in] comm            Communicator used for simulation
  76      * \param[in] ppRanks         List of PP ranks
  77      */
  78     PmeForceSenderGpu(const DeviceStream& pmeStream, MPI_Comm comm, gmx::ArrayRef<PpRanks> ppRanks);
  79     ~PmeForceSenderGpu();
  80
  81     /*! \brief
  82      * Initialization of GPU PME Force sender
  83      * \param[in] d_f   force buffer in GPU memory
  84      */
  85     void sendForceBufferAddressToPpRanks(rvec* d_f);
  86
  87     /*! \brief
  88      * Send PP data to PP rank
  89      * \param[in] ppRank           PP rank to receive data
  90      */
  91     void sendFToPpCudaDirect(int ppRank);
  92
  93 private:
  94     class Impl;
  95     gmx::PrivateImplPointer<Impl> impl_;
  96 };
  97
  98 } // namespace gmx
  99
 100 #endif