ICODE-ADC/lammps
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format tweaks

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This commit is contained in:
Axel Kohlmeyer
2021-05-13 08:57:53 -04:00
parent d9505a4527
commit 1f7343d60f
1 changed files with 23 additions and 24 deletions
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47
src/main.cpp
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@ -12,11 +12,12 @@
------------------------------------------------------------------------- */
#include "lammps.h"
#include "input.h"
#include "mdi_interface.h"
#include <mpi.h>
#include <cstdlib>
#include <mpi.h>
#if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)
#include <fenv.h>
@ -34,26 +35,24 @@ using namespace LAMMPS_NS;
int main(int argc, char **argv)
{
MPI_Init(&argc,&argv);
MPI_Init(&argc, &argv);
// initialize MDI
if ( MDI_Init(&argc,&argv) )
MPI_Abort(MPI_COMM_WORLD, 1);
// initialize MDI or MDI dummy interface
int mdi_flag;
if (MDI_Init(&argc, &argv)) MPI_Abort(MPI_COMM_WORLD, 1);
if (MDI_Initialized(&mdi_flag)) MPI_Abort(MPI_COMM_WORLD, 1);
// get the MPI communicator that spans all ranks running LAMMPS
// when using MDI, this may be a subset of MPI_COMM_WORLD
MPI_Comm lammps_comm = MPI_COMM_WORLD;
int mdi_flag;
if ( MDI_Initialized(&mdi_flag) )
MPI_Abort(MPI_COMM_WORLD, 1);
if ( mdi_flag ) {
if ( MDI_MPI_get_world_comm( &lammps_comm ) )
MPI_Abort(MPI_COMM_WORLD, 1);
}
// 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.
MPI_Comm lammps_comm = MPI_COMM_WORLD;
if (mdi_flag)
if (MDI_MPI_get_world_comm(&lammps_comm)) MPI_Abort(MPI_COMM_WORLD, 1);
// 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);
@ -65,27 +64,27 @@ int main(int argc, char **argv)
#ifdef LAMMPS_EXCEPTIONS
try {
LAMMPS *lammps = new LAMMPS(argc,argv,lammps_comm);
LAMMPS *lammps = new LAMMPS(argc, argv, lammps_comm);
lammps->input->file();
delete lammps;
} catch(LAMMPSAbortException &ae) {
} catch (LAMMPSAbortException &ae) {
MPI_Abort(ae.universe, 1);
} catch(LAMMPSException &e) {
} catch (LAMMPSException &e) {
MPI_Barrier(lammps_comm);
MPI_Finalize();
exit(1);
} catch(fmt::format_error &fe) {
fprintf(stderr,"fmt::format_error: %s\n", fe.what());
} catch (fmt::format_error &fe) {
fprintf(stderr, "fmt::format_error: %s\n", fe.what());
MPI_Abort(MPI_COMM_WORLD, 1);
exit(1);
}
#else
try {
LAMMPS *lammps = new LAMMPS(argc,argv,lammps_comm);
LAMMPS *lammps = new LAMMPS(argc, argv, lammps_comm);
lammps->input->file();
delete lammps;
} catch(fmt::format_error &fe) {
fprintf(stderr,"fmt::format_error: %s\n", fe.what());
} catch (fmt::format_error &fe) {
fprintf(stderr, "fmt::format_error: %s\n", fe.what());
MPI_Abort(MPI_COMM_WORLD, 1);
exit(1);
}