/usr/include/liggghts/irregular.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 | /* ----------------------------------------------------------------------
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:
Irregular(class LAMMPS *);
~Irregular();
void migrate_atoms();
int migrate_check();
int create_data(int, int *);
void exchange_data(char *, int, char *);
void destroy_data();
bigint memory_usage();
private:
int me,nprocs;
int triclinic;
int map_style;
int uniform;
double *xsplit,*ysplit,*zsplit; // ptrs to comm
int *procgrid; // ptr to comm
int ***grid2proc; // ptr to comm
double *boxlo; // ptr to domain
double *prd; // ptr to domain
int maxsend,maxrecv; // size of buffers in # of doubles
double *buf_send,*buf_recv;
// plan for irregular communication of atoms
// no params refer to atoms copied to self
struct PlanAtom {
int nsend; // # of messages to send
int nrecv; // # of messages to recv
int sendmax; // # of doubles in largest send message
int *proc_send; // procs to send to
int *length_send; // # of doubles to send to each proc
int *num_send; // # of atoms to send to each proc
int *index_send; // list of which atoms to send to each proc
int *offset_send; // where each atom starts in send buffer
int *proc_recv; // procs to recv from
int *length_recv; // # of doubles to recv from each proc
MPI_Request *request; // MPI requests for posted recvs
MPI_Status *status; // MPI statuses for WaitAll
};
// plan for irregular communication of datums
// only 2 self params refer to atoms copied to self
struct PlanData { // plan for irregular communication of data
int nsend; // # of messages to send
int nrecv; // # of messages to recv
int sendmax; // # of datums in largest send message
int *proc_send; // procs to send to
int *num_send; // # of datums to send to each proc
int *index_send; // list of which datums to send to each proc
int *proc_recv; // procs to recv from
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
MPI_Request *request; // MPI requests for posted recvs
MPI_Status *status; // MPI statuses for WaitAll
};
PlanAtom *aplan;
PlanData *dplan;
int create_atom(int, int *, int *);
void exchange_atom(double *, int *, double *);
void destroy_atom();
int coord2proc(double *, int &, int &, int &);
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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