t_commrec *init_par(int *argc, char ***argv_ptr)
{
t_commrec *cr;
char **argv;
int i;
gmx_bool pe = FALSE;
snew(cr, 1);
argv = argv_ptr ? *argv_ptr : NULL;
#if defined GMX_MPI && !defined GMX_THREAD_MPI
cr->sim_nodeid = gmx_setup(argc, argv, &cr->nnodes);
if (!PAR(cr) && (cr->sim_nodeid != 0))
{
gmx_comm("(!PAR(cr) && (cr->sim_nodeid != 0))");
}
cr->mpi_comm_mysim = MPI_COMM_WORLD;
cr->mpi_comm_mygroup = cr->mpi_comm_mysim;
#else
/* These should never be accessed */
cr->mpi_comm_mysim = NULL;
cr->mpi_comm_mygroup = NULL;
cr->nnodes = 1;
cr->sim_nodeid = 0;
#endif
cr->nodeid = cr->sim_nodeid;
cr->duty = (DUTY_PP | DUTY_PME);
/* Communicate arguments if parallel */
#ifndef GMX_THREAD_MPI
if (PAR(cr))
{
comm_args(cr, argc, argv_ptr);
}
#endif /* GMX_THREAD_MPI */
#ifdef GMX_MPI
#if !defined(GMX_THREAD_MPI) && !defined(MPI_IN_PLACE_EXISTS)
/* initialize the MPI_IN_PLACE replacement buffers */
snew(cr->mpb, 1);
cr->mpb->ibuf = NULL;
cr->mpb->libuf = NULL;
cr->mpb->fbuf = NULL;
cr->mpb->dbuf = NULL;
cr->mpb->ibuf_alloc = 0;
cr->mpb->libuf_alloc = 0;
cr->mpb->fbuf_alloc = 0;
cr->mpb->dbuf_alloc = 0;
#endif
#endif
return cr;
}
t_commrec *init_par(int *argc,char ***argv_ptr)
{
t_commrec *cr;
char **argv;
int i;
snew(cr,1);
argv = *argv_ptr;
#ifdef GMX_MPI
#ifdef GMX_THREAD_MPI
if (tMPI_Get_N(argc, argv_ptr)>1)
gmx_parallel_env=1;
else
gmx_parallel_env=0;
#else
gmx_parallel_env = 1;
#endif
#ifdef GMX_CHECK_MPI_ENV
/* Do not use MPI calls when env.var. GMX_CHECK_MPI_ENV is not set */
if (getenv(GMX_CHECK_MPI_ENV) == NULL)
gmx_parallel_env = 0;
#endif
if (gmx_parallel_env) {
cr->sim_nodeid = gmx_setup(argc,argv,&cr->nnodes);
} else {
cr->nnodes = 1;
cr->sim_nodeid = 0;
}
#else
gmx_parallel_env = 0;
cr->sim_nodeid = 0;
cr->nnodes = 1;
#endif
if (!PAR(cr) && (cr->sim_nodeid != 0))
gmx_comm("(!PAR(cr) && (cr->sim_nodeid != 0))");
if (gmx_parallel_env) {
#ifdef GMX_MPI
cr->mpi_comm_mysim = MPI_COMM_WORLD;
cr->mpi_comm_mygroup = cr->mpi_comm_mysim;
#endif
}
cr->nodeid = cr->sim_nodeid;
cr->duty = (DUTY_PP | DUTY_PME);
/* Communicate arguments if parallel */
if (PAR(cr))
comm_args(cr,argc,argv_ptr);
return cr;
}
