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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 <cstdio>
#include <cstdlib>
#include <mui.h>
#if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)
#include <fenv.h>
#endif
#ifdef FFT_FFTW3
#include <fftw3.h>
#endif
using namespace LAMMPS_NS;
/* ----------------------------------------------------------------------
main program to drive LAMMPS
------------------------------------------------------------------------- */
int main(int argc, char **argv)
{
MPI_Init(&argc,&argv);
// enable trapping selected floating point exceptions.
// this uses GNU extensions and is only tested on Linux
// therefore we make it depend on -D_GNU_SOURCE, too.
#if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)
fesetenv(FE_NOMASK_ENV);
fedisableexcept(FE_ALL_EXCEPT);
feenableexcept(FE_DIVBYZERO);
feenableexcept(FE_INVALID);
feenableexcept(FE_OVERFLOW);
#endif
#ifdef LAMMPS_EXCEPTIONS
try {
LAMMPS *lammps = new LAMMPS(argc, argv, mui::mpi_split_by_app());
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, mui::mpi_split_by_app());
lammps->input->file();
delete lammps;
#endif
MPI_Barrier(MPI_COMM_WORLD);
MPI_Finalize();
#ifdef FFT_FFTW3
// tell fftw3 to delete its global memory pool
// and thus avoid bogus valgrind memory leak reports
#ifdef FFT_SINGLE
fftwf_cleanup();
#else
fftw_cleanup();
#endif
#endif
}