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lammps/src/KSPACE/gridcomm.h
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gridcomm.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_GRIDCOMM_H
#define LMP_GRIDCOMM_H
#include "pointers.h"
#ifdef FFT_SINGLE
typedef float FFT_SCALAR;
#define MPI_FFT_SCALAR MPI_FLOAT
#else
typedef double FFT_SCALAR;
#define MPI_FFT_SCALAR MPI_DOUBLE
#endif
namespace LAMMPS_NS {
class GridComm : protected Pointers {
public:
GridComm(class LAMMPS *, MPI_Comm, int, int,
int, int, int, int, int, int,
int, int, int, int, int, int,
int, int, int, int, int, int);
GridComm(class LAMMPS *, MPI_Comm, int, int,
int, int, int, int, int, int,
int, int, int, int, int, int,
int, int, int, int, int, int,
int, int, int, int, int, int);
~GridComm();
void ghost_notify();
int ghost_overlap();
void setup();
void forward_comm(class KSpace *, int);
void reverse_comm(class KSpace *, int);
double memory_usage();
private:
int me;
int nforward,nreverse;
MPI_Comm gridcomm;
MPI_Request request;
// in = inclusive indices of 3d grid chunk that I own
// out = inclusive indices of 3d grid chunk I own plus ghosts I use
// proc = 6 neighbor procs that surround me
// ghost = # of my owned grid planes needed from me
// by each of 6 neighbor procs to become their ghost planes
int inxlo,inxhi,inylo,inyhi,inzlo,inzhi;
int outxlo,outxhi,outylo,outyhi,outzlo,outzhi;
int outxlo_max,outxhi_max,outylo_max,outyhi_max,outzlo_max,outzhi_max;
int procxlo,procxhi,procylo,procyhi,proczlo,proczhi;
int ghostxlo,ghostxhi,ghostylo,ghostyhi,ghostzlo,ghostzhi;
int nbuf;
FFT_SCALAR *buf1,*buf2;
struct Swap {
int sendproc; // proc to send to for forward comm
int recvproc; // proc to recv from for forward comm
int npack; // # of datums to pack
int nunpack; // # of datums to unpack
int *packlist; // 3d array offsets to pack
int *unpacklist; // 3d array offsets to unpack
};
int nswap;
Swap *swap;
int indices(int *&, int, int, int, int, int, int);
};
}
#endif
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