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lammps/src/irregular.h
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irregular.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_IRREGULAR_H
#define LMP_IRREGULAR_H
#include "pointers.h"
namespace LAMMPS_NS {
class Irregular : protected Pointers {
public:
#if defined(LMP_QSORT)
// static variable across all Irregular objects, for qsort callback
static int *proc_recv_copy;
#endif
Irregular(class LAMMPS *);
~Irregular();
void migrate_atoms(int sortflag = 0, int preassign = 0,
int *procassign = NULL);
int migrate_check();
int create_data(int, int *, int sortflag = 0);
void exchange_data(char *, int, char *);
void destroy_data();
bigint memory_usage();
private:
int me,nprocs;
int triclinic;
int map_style;
int maxsend,maxrecv; // size of buf send/recv in # of doubles
double *buf_send,*buf_recv; // bufs used in migrate_atoms
int maxdbuf; // size of double buf in bytes
double *dbuf; // double buf for largest single atom send
int maxbuf; // size of char buf in bytes
char *buf; // char buf for largest single data send
int *mproclist,*msizes; // persistent vectors in migrate_atoms
int maxlocal; // allocated size of mproclist and msizes
int *work1,*work2; // work vectors
// plan params for irregular communication of atoms or datums
// no params refer to atoms/data copied to self
int nsend_proc; // # of messages to send
int nrecv_proc; // # of messages to recv
int sendmax_proc; // # of doubles/datums in largest send message
int *proc_send; // list of procs to send to
int *num_send; // # of atoms/datums to send to each proc
int *index_send; // list of which atoms/datums to send to each proc
int *proc_recv; // list of procs to recv from
MPI_Request *request; // MPI requests for posted recvs
MPI_Status *status; // MPI statuses for WaitAll
// extra plan params plan for irregular communication of atoms
// no params refer to atoms copied to self
int *length_send; // # of doubles to send to each proc
int *length_recv; // # of doubles to recv from each proc
int *offset_send; // where each atom starts in send buffer
// extra plan params plan for irregular communication of datums
// 2 self params refer to data copied to self
int *num_recv; // # of datums to recv from each proc
int num_self; // # of datums to copy to self
int *index_self; // list of which datums to copy to self
// private methods
int create_atom(int, int *, int *, int);
void exchange_atom(double *, int *, double *);
void destroy_atom();
int binary(double, int, double *);
void grow_send(int,int); // reallocate send buffer
void grow_recv(int); // free/allocate recv buffer
};
}
#endif
/* ERROR/WARNING messages:
*/
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