* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/network.h"
+
+#include "config.h"
#include <ctype.h>
+#include <stdarg.h>
+#include <stdlib.h>
#include <string.h>
-#include "types/commrec.h"
-#include "network.h"
-#include "copyrite.h"
-#include "macros.h"
-
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/types/commrec.h"
#include "gromacs/utility/basenetwork.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/smalloc.h"
void gmx_setup_nodecomm(FILE gmx_unused *fplog, t_commrec *cr)
{
gmx_nodecomm_t *nc;
- int n, rank, hostnum, ng, ni;
+ int n, rank, nodehash, ng, ni;
/* Many MPI implementations do not optimize MPI_Allreduce
* (and probably also other global communication calls)
MPI_Comm_size(cr->mpi_comm_mygroup, &n);
MPI_Comm_rank(cr->mpi_comm_mygroup, &rank);
- hostnum = gmx_hostname_num();
+ nodehash = gmx_physicalnode_id_hash();
if (debug)
{
/* The intra-node communicator, split on node number */
- MPI_Comm_split(cr->mpi_comm_mygroup, hostnum, rank, &nc->comm_intra);
+ MPI_Comm_split(cr->mpi_comm_mygroup, nodehash, rank, &nc->comm_intra);
MPI_Comm_rank(nc->comm_intra, &nc->rank_intra);
if (debug)
{
- fprintf(debug, "In gmx_setup_nodecomm: node rank %d rank_intra %d\n",
+ fprintf(debug, "In gmx_setup_nodecomm: node ID %d rank within node %d\n",
rank, nc->rank_intra);
}
/* The inter-node communicator, split on rank_intra.
nc->bUse = TRUE;
if (fplog)
{
- fprintf(fplog, "Using two step summing over %d groups of on average %.1f processes\n\n",
+ fprintf(fplog, "Using two step summing over %d groups of on average %.1f ranks\n\n",
ng, (real)n/(real)ng);
}
if (nc->rank_intra > 0)
/* thread-MPI is not initialized when not running in parallel */
#if defined GMX_MPI && !defined GMX_THREAD_MPI
int nrank_world, rank_world;
- int i, mynum, *num, *num_s, *num_pp, *num_pp_s;
+ int i, myhash, *hash, *hash_s, *hash_pp, *hash_pp_s;
MPI_Comm_size(MPI_COMM_WORLD, &nrank_world);
MPI_Comm_rank(MPI_COMM_WORLD, &rank_world);
- /* Get the node number from the hostname to identify the nodes */
- mynum = gmx_hostname_num();
+ /* Get a (hopefully unique) hash that identifies our physical node */
+ myhash = gmx_physicalnode_id_hash();
/* We can't rely on MPI_IN_PLACE, so we need send and receive buffers */
- snew(num, nrank_world);
- snew(num_s, nrank_world);
- snew(num_pp, nrank_world);
- snew(num_pp_s, nrank_world);
+ snew(hash, nrank_world);
+ snew(hash_s, nrank_world);
+ snew(hash_pp, nrank_world);
+ snew(hash_pp_s, nrank_world);
- num_s[rank_world] = mynum;
- num_pp_s[rank_world] = (cr->duty & DUTY_PP) ? mynum : -1;
+ hash_s[rank_world] = myhash;
+ hash_pp_s[rank_world] = (cr->duty & DUTY_PP) ? myhash : -1;
- MPI_Allreduce(num_s, num, nrank_world, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
- MPI_Allreduce(num_pp_s, num_pp, nrank_world, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+ MPI_Allreduce(hash_s, hash, nrank_world, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+ MPI_Allreduce(hash_pp_s, hash_pp, nrank_world, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
nrank_intranode = 0;
rank_intranode = 0;
rank_pp_intranode = 0;
for (i = 0; i < nrank_world; i++)
{
- if (num[i] == mynum)
+ if (hash[i] == myhash)
{
nrank_intranode++;
if (i < rank_world)
rank_intranode++;
}
}
- if (num_pp[i] == mynum)
+ if (hash_pp[i] == myhash)
{
nrank_pp_intranode++;
if ((cr->duty & DUTY_PP) && i < rank_world)
}
}
}
- sfree(num);
- sfree(num_s);
- sfree(num_pp);
- sfree(num_pp_s);
+ sfree(hash);
+ sfree(hash_s);
+ sfree(hash_pp);
+ sfree(hash_pp_s);
#else
/* Serial or thread-MPI code: we run within a single physical node */
nrank_intranode = cr->nnodes;
{
sprintf(sbuf, "%s", cr->duty & DUTY_PP ? "PP" : "PME");
}
- fprintf(debug, "On %3s node %d: nrank_intranode=%d, rank_intranode=%d, "
+ fprintf(debug, "On %3s rank %d: nrank_intranode=%d, rank_intranode=%d, "
"nrank_pp_intranode=%d, rank_pp_intranode=%d\n",
sbuf, cr->sim_nodeid,
nrank_intranode, rank_intranode,
#endif
#endif
}
+
+gmx_bool gmx_fexist_master(const char *fname, t_commrec *cr)
+{
+ gmx_bool bExist;
+
+ if (SIMMASTER(cr))
+ {
+ bExist = gmx_fexist(fname);
+ }
+ if (PAR(cr))
+ {
+ gmx_bcast(sizeof(bExist), &bExist, cr);
+ }
+ return bExist;
+}
+
+void gmx_fatal_collective(int f_errno, const char *file, int line,
+ const t_commrec *cr, gmx_domdec_t *dd,
+ const char *fmt, ...)
+{
+ va_list ap;
+ gmx_bool bMaster, bFinalize;
+#ifdef GMX_MPI
+ int result;
+ /* Check if we are calling on all processes in MPI_COMM_WORLD */
+ if (cr != NULL)
+ {
+ MPI_Comm_compare(cr->mpi_comm_mysim, MPI_COMM_WORLD, &result);
+ }
+ else
+ {
+ MPI_Comm_compare(dd->mpi_comm_all, MPI_COMM_WORLD, &result);
+ }
+ /* Any result except MPI_UNEQUAL allows us to call MPI_Finalize */
+ bFinalize = (result != MPI_UNEQUAL);
+#else
+ bFinalize = TRUE;
+#endif
+ bMaster = (cr != NULL && MASTER(cr)) || (dd != NULL && DDMASTER(dd));
+
+ va_start(ap, fmt);
+ gmx_fatal_mpi_va(f_errno, file, line, bMaster, bFinalize, fmt, ap);
+ va_end(ap);
+}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff