decomposition.c File Reference

Parallel domain decomposition. More...

#include "decomposition.h"
#include <assert.h>
#include "memUtils.h"
#include "parallel.h"

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Functions
Domain *	initDecomposition (int xproc, int yproc, int zproc, real3 globalExtent)
int	processorNum (Domain *domain, int dix, int diy, int diz)
	Find the MPI rank of a neighbor domain from a relative coordinate. More...

Detailed Description

Parallel domain decomposition.

This version of CoMD uses a simple spatial Cartesian domain decomposition. The simulation box is divided into equal size bricks by a grid that is xproc by yproc by zproc in size.

Definition in file decomposition.c.

Function Documentation

Domain* initDecomposition ( int  xproc, int  yproc, int  zproc, real3  globalExtent  )

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Parameters

[in]	xproc	x-size of domain decomposition grid.
[in]	yproc	y-size of domain decomposition grid.
[in]	zproc	z-size of domain decomposition grid.
[in]	globalExtent	Size of the simulation domain (in Angstroms).

Definition at line 18 of file decomposition.c.

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int processorNum	(	Domain *	domain,
		int	dix,
		int	diy,
		int	diz
	)

Find the MPI rank of a neighbor domain from a relative coordinate.

Calculates the rank of the processor with grid coordinates (ix+dix, iy+diy, iz+diz) where (ix, iy, iz) are the grid coordinates of the local rank. Assumes periodic boundary conditions. The deltas cannot be smaller than -procGrid[ii].

Definition at line 57 of file decomposition.c.

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