domdec_network.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"

Include dependency graph for domdec_network.h:

Description

This file declares functions for (mostly) the domdec module to use MPI functionality.

Todo:

Wrap the raw dd_bcast in md.cpp into a higher-level function in the domdec module, then this file can be module-internal.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Enumerations
enum	{ dddirForward, dddirBackward }

Functions
template<typename T >
void	ddSendrecv (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, T *sendBuffer, int numElementsToSend, T *receiveBuffer, int numElementsToReceive)
	Move T values in the communication region one cell along the domain decomposition. More...
template void	ddSendrecv< int > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, int *buf_s, int n_s, int *buf_r, int n_r)
	Extern declaration for int specialization.
template void	ddSendrecv< real > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, real *buf_s, int n_s, real *buf_r, int n_r)
	Extern declaration for real specialization.
template void	ddSendrecv< rvec > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, rvec *buf_s, int n_s, rvec *buf_r, int n_r)
	Extern declaration for rvec specialization.
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< int > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< int > sendBuffer, gmx::ArrayRef< int > receiveBuffer)
	Extern declaration for int specialization.
template void	ddSendrecv< real > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< real > sendBuffer, gmx::ArrayRef< real > receiveBuffer)
	Extern declaration for real specialization.
template void	ddSendrecv< gmx::RVec > (const gmx_domdec_t *dd, int ddDimensionIndex, int direction, gmx::ArrayRef< gmx::RVec > sendBuffer, gmx::ArrayRef< gmx::RVec > receiveBuffer)
	Extern declaration for gmx::RVec specialization.
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...

Function Documentation

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.

template<typename T >

void ddSendrecv	(	const gmx_domdec_t *	dd,
		int	ddDimensionIndex,
		int	direction,
		T *	sendBuffer,
		int	numElementsToSend,
		T *	receiveBuffer,
		int	numElementsToReceive
	)

Move 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).

Todo:

This function template is deprecated, new calls should be made to the version taking ArrayRef parameters and this function template removed when unused.

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.

Moves in the dimension indexed by ddDimensionIndex, either forward (direction=dddirFoward) or backward (direction=dddirBackward).