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irregular.h
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rLAMMPS lammps
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_USE_LIBC_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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