Gromacs
2021.5
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#include "gmxpre.h"
#include "domdec_network.h"
#include "config.h"
#include <cstring>
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/utility/gmxmpi.h"
#include "domdec_internal.h"
This file defines functions for (mostly) the domdec module to use MPI functionality.
Macros | |
#define | DDMASTERRANK(dd) ((dd)->masterrank) |
Returns the MPI rank of the domain decomposition master rank. | |
Functions | |
template<typename T > | |
void | ddSendrecv (const struct gmx_domdec_t *dd, int ddDimensionIndex, int direction, T *sendBuffer, int numElementsToSend, T *receiveBuffer, int numElementsToReceive) |
Move data of type T in the communication region one cell along the domain decomposition. More... | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, int *, int, int *, int) |
Specialization of extern template for int. | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, real *, int, real *, int) |
Specialization of extern template for real. | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, rvec *, int, rvec *, int) |
Specialization of extern template for gmx::RVec. | |
template<typename T > | |
void | ddSendrecv (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< T > sendBuffer, gmx::ArrayRef< T > receiveBuffer) |
Move a view of T values in the communication region one cell along the domain decomposition. More... | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, gmx::ArrayRef< int >, gmx::ArrayRef< int >) |
Specialization of extern template for int. | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, gmx::ArrayRef< real >, gmx::ArrayRef< real >) |
Specialization of extern template for real. | |
template void | ddSendrecv (const gmx_domdec_t *, int, int, gmx::ArrayRef< gmx::RVec >, gmx::ArrayRef< gmx::RVec >) |
Specialization of extern template for gmx::RVec. | |
void | dd_sendrecv2_rvec (const struct gmx_domdec_t *dd, int ddimind, rvec *buf_s_fw, int n_s_fw, rvec *buf_r_fw, int n_r_fw, rvec *buf_s_bw, int n_s_bw, rvec *buf_r_bw, int n_r_bw) |
Move revc's in the comm. region one cell along the domain decomposition. More... | |
void | dd_bcast (const gmx_domdec_t *dd, int nbytes, void *data) |
Broadcasts nbytes from data on DDMASTERRANK to all PP ranks. | |
void | dd_bcastc (const gmx_domdec_t *dd, int nbytes, void *src, void *dest) |
Copies nbytes from src to dest on DDMASTERRANK and then broadcasts to dest on all PP ranks. | |
void | dd_scatter (const gmx_domdec_t *dd, int nbytes, const void *src, void *dest) |
Scatters nbytes from src on DDMASTERRANK to all PP ranks, received in dest . | |
void | dd_gather (const gmx_domdec_t *dd, int nbytes, const void *src, void *dest) |
Gathers nbytes from src on all PP ranks, received in dest on DDMASTERRANK . | |
void | dd_scatterv (const gmx_domdec_t *dd, int *scounts, int *disps, const void *sbuf, int rcount, void *rbuf) |
Scatters scounts bytes from src on DDMASTERRANK to all PP ranks, receiving rcount bytes in dest . More... | |
void | dd_gatherv (const gmx_domdec_t *dd, int scount, const void *sbuf, int *rcounts, int *disps, void *rbuf) |
Gathers rcount bytes from src on all PP ranks, received in scounts bytes in dest on DDMASTERRANK . More... | |
void dd_gatherv | ( | const gmx_domdec_t * | dd, |
int | scount, | ||
const void * | sbuf, | ||
int * | rcounts, | ||
int * | disps, | ||
void * | rbuf | ||
) |
Gathers rcount
bytes from src
on all PP ranks, received in scounts
bytes in dest
on DDMASTERRANK
.
See man MPI_Gatherv for details of how to construct scounts and disps.
If scount==0, sbuf is allowed to be NULL
void dd_scatterv | ( | const gmx_domdec_t * | dd, |
int * | scounts, | ||
int * | disps, | ||
const void * | sbuf, | ||
int | rcount, | ||
void * | rbuf | ||
) |
Scatters scounts
bytes from src
on DDMASTERRANK
to all PP ranks, receiving rcount
bytes in dest
.
See man MPI_Scatterv for details of how to construct scounts and disps. If rcount==0, rbuf is allowed to be NULL
void dd_sendrecv2_rvec | ( | const struct gmx_domdec_t * | dd, |
int | ddimind, | ||
rvec * | buf_s_fw, | ||
int | n_s_fw, | ||
rvec * | buf_r_fw, | ||
int | n_r_fw, | ||
rvec * | buf_s_bw, | ||
int | n_s_bw, | ||
rvec * | buf_r_bw, | ||
int | n_r_bw | ||
) |
Move revc's in the comm. region one cell along the domain decomposition.
Moves in dimension indexed by ddimind, simultaneously in the forward and backward directions.
void ddSendrecv | ( | const struct gmx_domdec_t * | dd, |
int | ddDimensionIndex, | ||
int | direction, | ||
T * | sendBuffer, | ||
int | numElementsToSend, | ||
T * | receiveBuffer, | ||
int | numElementsToReceive | ||
) |
Move data of type T
in the communication region one cell along the domain decomposition.
Moves in the dimension indexed by ddDimensionIndex, either forward (direction=dddirFoward) or backward (direction=dddirBackward).
void ddSendrecv | ( | const gmx_domdec_t * | dd, |
int | ddDimensionIndex, | ||
int | direction, | ||
gmx::ArrayRef< T > | sendBuffer, | ||
gmx::ArrayRef< T > | receiveBuffer | ||
) |
Move a view of T values in the communication region one cell along the domain decomposition.
Moves in the dimension indexed by ddDimensionIndex, either forward (direction=dddirFoward) or backward (direction=dddirBackward).