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lammps/src/KSPACE/remap.h
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remap.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.
------------------------------------------------------------------------- */
#include <mpi.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
// details of how to do a 3d remap
struct remap_plan_3d {
FFT_SCALAR *sendbuf; // buffer for MPI sends
FFT_SCALAR *scratch; // scratch buffer for MPI recvs
void (*pack)(FFT_SCALAR *, FFT_SCALAR *, struct pack_plan_3d *);
// which pack function to use
void (*unpack)(FFT_SCALAR *, FFT_SCALAR *, struct pack_plan_3d *);
// which unpack function to use
int *send_offset; // extraction loc for each send
int *send_size; // size of each send message
int *send_proc; // proc to send each message to
struct pack_plan_3d *packplan; // pack plan for each send message
int *recv_offset; // insertion loc for each recv
int *recv_size; // size of each recv message
int *recv_proc; // proc to recv each message from
int *recv_bufloc; // offset in scratch buf for each recv
MPI_Request *request; // MPI request for each posted recv
struct pack_plan_3d *unpackplan; // unpack plan for each recv message
int nrecv; // # of recvs from other procs
int nsend; // # of sends to other procs
int self; // whether I send/recv with myself
int memory; // user provides scratch space or not
MPI_Comm comm; // group of procs performing remap
};
// collision between 2 regions
struct extent_3d {
int ilo,ihi,isize;
int jlo,jhi,jsize;
int klo,khi,ksize;
};
// function prototypes
void remap_3d(FFT_SCALAR *, FFT_SCALAR *, FFT_SCALAR *, struct remap_plan_3d *);
struct remap_plan_3d *remap_3d_create_plan(MPI_Comm,
int, int, int, int, int, int, int, int, int, int, int, int,
int, int, int, int);
void remap_3d_destroy_plan(struct remap_plan_3d *);
int remap_3d_collide(struct extent_3d *,
struct extent_3d *, struct extent_3d *);
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