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main.cpp
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Created
Tue, Nov 12, 14:50
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Thu, Nov 14, 14:50 (1 d, 23 h)
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rLAMMPS lammps
main.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 "lammps.h"
#include "input.h"
#include "error.h"
#include <stdio.h>
#include <stdlib.h>
using
namespace
LAMMPS_NS
;
/* ----------------------------------------------------------------------
main program to drive LAMMPS
------------------------------------------------------------------------- */
int
main
(
int
argc
,
char
**
argv
)
{
MPI_Init
(
&
argc
,
&
argv
);
#ifdef LAMMPS_EXCEPTIONS
try
{
LAMMPS
*
lammps
=
new
LAMMPS
(
argc
,
argv
,
MPI_COMM_WORLD
);
lammps
->
input
->
file
();
delete
lammps
;
}
catch
(
LAMMPSAbortException
&
ae
)
{
MPI_Abort
(
ae
.
universe
,
1
);
}
catch
(
LAMMPSException
&
e
)
{
MPI_Finalize
();
exit
(
1
);
}
#else
LAMMPS
*
lammps
=
new
LAMMPS
(
argc
,
argv
,
MPI_COMM_WORLD
);
lammps
->
input
->
file
();
delete
lammps
;
#endif
MPI_Barrier
(
MPI_COMM_WORLD
);
MPI_Finalize
();
}
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