src/gromacs/domdec/domdec_network.h

   1 /*
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   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35
  36 /*! \libinternal \file
  37  *
  38  * \brief This file declares functions for (mostly) the domdec module
  39  * to use MPI functionality
  40  *
  41  * \todo Wrap the raw dd_bcast in md.cpp into a higher-level function
  42  * in the domdec module, then this file can be module-internal.
  43  *
  44  * \author Berk Hess <hess@kth.se>
  45  * \inlibraryapi
  46  * \ingroup module_domdec
  47  */
  48 #ifndef GMX_DOMDEC_DOMDEC_NETWORK_H
  49 #define GMX_DOMDEC_DOMDEC_NETWORK_H
  50
  51 #include "gromacs/math/vectypes.h"
  52 #include "gromacs/utility/arrayref.h"
  53
  54 struct gmx_domdec_t;
  55
  56 /* \brief */
  57 enum {
  58     dddirForward, dddirBackward
  59 };
  60
  61 /*! \brief Move T values in the communication region one cell along
  62  * the domain decomposition
  63  *
  64  * Moves in the dimension indexed by ddDimensionIndex, either forward
  65  * (direction=dddirFoward) or backward (direction=dddirBackward).
  66  *
  67  * \todo This function template is deprecated, new calls should be
  68  * made to the version taking ArrayRef parameters and this function
  69  * template removed when unused.
  70  */
  71 template <typename T>
  72 void
  73 ddSendrecv(const gmx_domdec_t        *dd,
  74            int                        ddDimensionIndex,
  75            int                        direction,
  76            T                         *sendBuffer,
  77            int                        numElementsToSend,
  78            T                         *receiveBuffer,
  79            int                        numElementsToReceive);
  80
  81 //! Extern declaration for int specialization
  82 extern template
  83 void
  84 ddSendrecv<int>(const gmx_domdec_t *dd,
  85                 int ddDimensionIndex, int direction,
  86                 int *buf_s, int n_s,
  87                 int *buf_r, int n_r);
  88
  89 //! Extern declaration for real specialization
  90 extern template
  91 void
  92 ddSendrecv<real>(const gmx_domdec_t *dd,
  93                  int ddDimensionIndex, int direction,
  94                  real *buf_s, int n_s,
  95                  real *buf_r, int n_r);
  96
  97 //! Extern declaration for rvec specialization
  98 extern template
  99 void
 100 ddSendrecv<rvec>(const gmx_domdec_t *dd,
 101                  int ddDimensionIndex, int direction,
 102                  rvec *buf_s, int n_s,
 103                  rvec *buf_r, int n_r);
 104
 105 /*! \brief Move a view of T values in the communication region one
 106  * cell along the domain decomposition
 107  *
 108  * Moves in the dimension indexed by ddDimensionIndex, either forward
 109  * (direction=dddirFoward) or backward (direction=dddirBackward).
 110  */
 111 template <typename T>
 112 void
 113 ddSendrecv(const gmx_domdec_t *dd,
 114            int                 ddDimensionIndex,
 115            int                 direction,
 116            gmx::ArrayRef<T>    sendBuffer,
 117            gmx::ArrayRef<T>    receiveBuffer);
 118
 119 //! Extern declaration for int specialization
 120 extern template
 121 void
 122 ddSendrecv<int>(const gmx_domdec_t *dd,
 123                 int                 ddDimensionIndex,
 124                 int                 direction,
 125                 gmx::ArrayRef<int>  sendBuffer,
 126                 gmx::ArrayRef<int>  receiveBuffer);
 127
 128 //! Extern declaration for real specialization
 129 extern template
 130 void
 131 ddSendrecv<real>(const gmx_domdec_t *dd,
 132                  int                 ddDimensionIndex,
 133                  int                 direction,
 134                  gmx::ArrayRef<real> sendBuffer,
 135                  gmx::ArrayRef<real> receiveBuffer);
 136
 137 //! Extern declaration for gmx::RVec specialization
 138 extern template
 139 void
 140 ddSendrecv<gmx::RVec>(const gmx_domdec_t      *dd,
 141                       int                      ddDimensionIndex,
 142                       int                      direction,
 143                       gmx::ArrayRef<gmx::RVec> sendBuffer,
 144                       gmx::ArrayRef<gmx::RVec> receiveBuffer);
 145
 146 /*! \brief Move revc's in the comm. region one cell along the domain decomposition
 147  *
 148  * Moves in dimension indexed by ddimind, simultaneously in the forward
 149  * and backward directions.
 150  */
 151 void
 152 dd_sendrecv2_rvec(const struct gmx_domdec_t *dd,
 153                   int ddimind,
 154                   rvec *buf_s_fw, int n_s_fw,
 155                   rvec *buf_r_fw, int n_r_fw,
 156                   rvec *buf_s_bw, int n_s_bw,
 157                   rvec *buf_r_bw, int n_r_bw);
 158
 159
 160 /* The functions below perform the same operations as the MPI functions
 161  * with the same name appendices, but over the domain decomposition
 162  * nodes only.
 163  * The DD master node is the master for these operations.
 164  */
 165
 166 /*! \brief Broadcasts \p nbytes from \p data on \p DDMASTERRANK to all PP ranks */
 167 void
 168 dd_bcast(const gmx_domdec_t *dd, int nbytes, void *data);
 169
 170 /*! \brief Copies \p nbytes from \p src to \p dest on \p DDMASTERRANK
 171  * and then broadcasts to \p dest on all PP ranks */
 172 void
 173 dd_bcastc(const gmx_domdec_t *dd, int nbytes, void *src, void *dest);
 174
 175 /*! \brief Scatters \p nbytes from \p src on \p DDMASTERRANK to all PP ranks, received in \p dest */
 176 void
 177 dd_scatter(const gmx_domdec_t *dd, int nbytes, const void *src, void *dest);
 178
 179 /*! \brief Gathers \p nbytes from \p src on all PP ranks, received in \p dest on \p DDMASTERRANK */
 180 void
 181 dd_gather(const gmx_domdec_t *dd, int nbytes, const void *src, void *dest);
 182
 183 /*! \brief Scatters \p scounts bytes from \p src on \p DDMASTERRANK to all PP ranks, receiving \p rcount bytes in \p dest.
 184  *
 185  * See man MPI_Scatterv for details of how to construct scounts and disps.
 186  * If rcount==0, rbuf is allowed to be NULL */
 187 void
 188 dd_scatterv(const gmx_domdec_t *dd,
 189             int *scounts, int *disps, const void *sbuf,
 190             int rcount, void *rbuf);
 191
 192 /*! \brief Gathers \p rcount bytes from \p src on all PP ranks, received in \p scounts bytes in \p dest on \p DDMASTERRANK.
 193  *
 194  * See man MPI_Gatherv for details of how to construct scounts and disps.
 195  *
 196  * If scount==0, sbuf is allowed to be NULL */
 197 void
 198 dd_gatherv(const gmx_domdec_t *dd,
 199            int scount, const void *sbuf,
 200            int *rcounts, int *disps, void *rbuf);
 201
 202 #endif