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A Mini-app for Co-Design of Classical Molecular Dynamics.
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decomposition.h File Reference

Parallel domain decomposition. More...

#include "mytype.h"
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Data Structures

struct  DomainSt
 Domain decomposition information. More...
 

Typedefs

typedef struct DomainSt Domain
 Domain decomposition information. More...
 

Functions

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

Detailed Description

Parallel domain decomposition.

Definition in file decomposition.h.

Typedef Documentation

typedef struct DomainSt Domain

Domain decomposition information.

Function Documentation

struct DomainSt* initDecomposition ( int  xproc,
int  yproc,
int  zproc,
real3  globalExtent 
)
read
Parameters
[in]xprocx-size of domain decomposition grid.
[in]yprocy-size of domain decomposition grid.
[in]zprocz-size of domain decomposition grid.
[in]globalExtentSize 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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