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universe.cpp
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Fri, May 24, 14:51
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rLAMMPS lammps
universe.cpp
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/* ----------------------------------------------------------------------
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"
#include "stdlib.h"
#include "string.h"
#include "stdio.h"
#include "universe.h"
#include "version.h"
#include "error.h"
#include "memory.h"
using
namespace
LAMMPS_NS
;
#define MAXLINE 256
/* ----------------------------------------------------------------------
create & initialize the universe of processors in communicator
------------------------------------------------------------------------- */
Universe
::
Universe
(
LAMMPS
*
lmp
,
MPI_Comm
communicator
)
:
Pointers
(
lmp
)
{
version
=
(
char
*
)
LAMMPS_VERSION
;
uworld
=
uorig
=
communicator
;
MPI_Comm_rank
(
uworld
,
&
me
);
MPI_Comm_size
(
uworld
,
&
nprocs
);
uscreen
=
stdout
;
ulogfile
=
NULL
;
existflag
=
0
;
nworlds
=
0
;
procs_per_world
=
NULL
;
root_proc
=
NULL
;
memory
->
create
(
uni2orig
,
nprocs
,
"universe:uni2orig"
);
for
(
int
i
=
0
;
i
<
nprocs
;
i
++
)
uni2orig
[
i
]
=
i
;
}
/* ---------------------------------------------------------------------- */
Universe
::~
Universe
()
{
if
(
uworld
!=
uorig
)
MPI_Comm_free
(
&
uworld
);
memory
->
destroy
(
procs_per_world
);
memory
->
destroy
(
root_proc
);
memory
->
destroy
(
uni2orig
);
}
/* ----------------------------------------------------------------------
reorder universe processors
create uni2orig as inverse mapping
re-create uworld communicator with new ordering via Comm_split()
style = "nth", arg = N
move every Nth proc to end of rankings
style = "custom", arg = filename
file has nprocs lines with I J
I = universe proc ID in original communicator uorig
J = universe proc ID in reordered communicator uworld
------------------------------------------------------------------------- */
void
Universe
::
reorder
(
char
*
style
,
char
*
arg
)
{
char
line
[
MAXLINE
];
if
(
uworld
!=
uorig
)
MPI_Comm_free
(
&
uworld
);
if
(
strcmp
(
style
,
"nth"
)
==
0
)
{
int
n
=
atoi
(
arg
);
if
(
n
<=
0
)
error
->
universe_all
(
FLERR
,
"Invalid -reorder N value"
);
if
(
nprocs
%
n
)
error
->
universe_all
(
FLERR
,
"Nprocs not a multiple of N for -reorder"
);
for
(
int
i
=
0
;
i
<
nprocs
;
i
++
)
{
if
(
i
<
(
n
-
1
)
*
nprocs
/
n
)
uni2orig
[
i
]
=
i
/
(
n
-
1
)
*
n
+
(
i
%
(
n
-
1
));
else
uni2orig
[
i
]
=
(
i
-
(
n
-
1
)
*
nprocs
/
n
)
*
n
+
n
-
1
;
}
}
else
if
(
strcmp
(
style
,
"custom"
)
==
0
)
{
if
(
me
==
0
)
{
FILE
*
fp
=
fopen
(
arg
,
"r"
);
if
(
fp
==
NULL
)
error
->
universe_one
(
FLERR
,
"Cannot open -reorder file"
);
// skip header = blank and comment lines
char
*
ptr
;
if
(
!
fgets
(
line
,
MAXLINE
,
fp
))
error
->
one
(
FLERR
,
"Unexpected end of -reorder file"
);
while
(
1
)
{
if
(
ptr
=
strchr
(
line
,
'#'
))
*
ptr
=
'\0'
;
if
(
strspn
(
line
,
"
\t\n\r
"
)
!=
strlen
(
line
))
break
;
if
(
!
fgets
(
line
,
MAXLINE
,
fp
))
error
->
one
(
FLERR
,
"Unexpected end of -reorder file"
);
}
// read nprocs lines
// uni2orig = inverse mapping
int
me_orig
,
me_new
;
sscanf
(
line
,
"%d %d"
,
&
me_orig
,
&
me_new
);
if
(
me_orig
<
0
||
me_orig
>=
nprocs
||
me_new
<
0
||
me_new
>=
nprocs
)
error
->
one
(
FLERR
,
"Invalid entry in reorder file"
);
uni2orig
[
me_new
]
=
me_orig
;
for
(
int
i
=
1
;
i
<
nprocs
;
i
++
)
{
if
(
!
fgets
(
line
,
MAXLINE
,
fp
))
error
->
one
(
FLERR
,
"Unexpected end of reorder file"
);
sscanf
(
line
,
"%d %d"
,
&
me_orig
,
&
me_new
);
if
(
me_orig
<
0
||
me_orig
>=
nprocs
||
me_new
<
0
||
me_new
>=
nprocs
)
error
->
one
(
FLERR
,
"Invalid entry in reorder file"
);
uni2orig
[
me_new
]
=
me_orig
;
}
fclose
(
fp
);
}
// bcast uni2org from proc 0 to all other universe procs
MPI_Bcast
(
uni2orig
,
nprocs
,
MPI_INT
,
0
,
uorig
);
}
else
error
->
universe_all
(
FLERR
,
"Invalid command-line argument"
);
// create new uworld communicator
int
ome
,
key
;
MPI_Comm_rank
(
uorig
,
&
ome
);
for
(
int
i
=
0
;
i
<
nprocs
;
i
++
)
if
(
uni2orig
[
i
]
==
ome
)
key
=
i
;
MPI_Comm_split
(
uorig
,
0
,
key
,
&
uworld
);
MPI_Comm_rank
(
uworld
,
&
me
);
MPI_Comm_size
(
uworld
,
&
nprocs
);
}
/* ----------------------------------------------------------------------
add 1 or more worlds to universe
str == NULL -> add 1 world with all procs in universe
str = NxM -> add N worlds, each with M procs
str = P -> add 1 world with P procs
------------------------------------------------------------------------- */
void
Universe
::
add_world
(
char
*
str
)
{
int
n
,
nper
;
char
*
ptr
;
if
(
str
==
NULL
)
{
n
=
1
;
nper
=
nprocs
;
}
else
if
((
ptr
=
strchr
(
str
,
'x'
))
!=
NULL
)
{
*
ptr
=
'\0'
;
n
=
atoi
(
str
);
nper
=
atoi
(
ptr
+
1
);
}
else
{
n
=
1
;
nper
=
atoi
(
str
);
}
memory
->
grow
(
procs_per_world
,
nworlds
+
n
,
"universe:procs_per_world"
);
memory
->
grow
(
root_proc
,(
nworlds
+
n
),
"universe:root_proc"
);
for
(
int
i
=
0
;
i
<
n
;
i
++
)
{
procs_per_world
[
nworlds
]
=
nper
;
if
(
nworlds
==
0
)
root_proc
[
nworlds
]
=
0
;
else
root_proc
[
nworlds
]
=
root_proc
[
nworlds
-
1
]
+
procs_per_world
[
nworlds
-
1
];
if
(
me
>=
root_proc
[
nworlds
])
iworld
=
nworlds
;
nworlds
++
;
}
}
/* ----------------------------------------------------------------------
check if total procs in all worlds = procs in universe
------------------------------------------------------------------------- */
int
Universe
::
consistent
()
{
int
n
=
0
;
for
(
int
i
=
0
;
i
<
nworlds
;
i
++
)
n
+=
procs_per_world
[
i
];
if
(
n
==
nprocs
)
return
1
;
else
return
0
;
}
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