-/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
*
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
- * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2010, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * GROMACS is free software; you can redistribute it and/or
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*
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+ * consider that scientific software is very special. Version
+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
*
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- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * To help us fund GROMACS development, we humbly ask that you cite
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*/
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/gmx_omp_nthreads.h"
+
+#include "config.h"
+
+#include <assert.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
-#include <assert.h>
-
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-#include "gmx_fatal.h"
-#include "typedefs.h"
-#include "macros.h"
-#include "network.h"
-#include "statutil.h"
-#include "gmx_omp.h"
-#include "gmx_omp_nthreads.h"
-#include "md_logging.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/md_logging.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/gmxomp.h"
/** Structure with the number of threads for each OpenMP multi-threaded
* algorithmic module in mdrun. */
/** Number of threads for each algorithmic module.
*
- * File-scope global variable that gets set once in \init_module_nthreads
- * and queried via gmx_omp_nthreads_get.
+ * File-scope global variable that gets set once in pick_module_nthreads()
+ * and queried via gmx_omp_nthreads_get().
*
* All fields are initialized to 0 which should result in errors if
* the init call is omitted.
static omp_module_nthreads_t modth = { 0, 0, {0, 0, 0, 0, 0, 0, 0, 0, 0}, FALSE};
-/** Determine the number of threads for module \mod.
+/** Determine the number of threads for module \p mod.
*
- * \m takes values form the module_nth_t enum and maps these to the
+ * \p m takes values form the module_nth_t enum and maps these to the
* corresponding value in modth_env_var.
*
* Each number of threads per module takes the default value unless
* The "group" scheme supports OpenMP only in PME and in thise case all but
* the PME nthread values default to 1.
*/
-static int pick_module_nthreads(FILE *fplog, int m,
- gmx_bool bSimMaster,
- gmx_bool bFullOmpSupport,
- gmx_bool bSepPME)
+static void pick_module_nthreads(FILE *fplog, int m,
+ gmx_bool bSimMaster,
+ gmx_bool bFullOmpSupport,
+ gmx_bool bSepPME)
{
char *env;
int nth;
* as it's always equal with gnth. */
if (m == emntDefault)
{
- return modth.nth[emntDefault];
+ return;
}
/* check the environment variable */
* OMP_NUM_THREADS also has to be set */
if (bFullOmpSupport && getenv("OMP_NUM_THREADS") == NULL)
{
- gmx_fatal(FARGS, "%s=%d is set, the default number of threads also "
- "needs to be set with OMP_NUM_THREADS!",
- modth_env_var[m], nth);
+ gmx_warning("%s=%d is set, the default number of threads also "
+ "needs to be set with OMP_NUM_THREADS!",
+ modth_env_var[m], nth);
}
/* with the group scheme warn if any env var except PME is set */
nth = (bSepPME && m == emntPME) ? modth.gnth_pme : modth.gnth;
}
- return modth.nth[m] = nth;
+ gmx_omp_nthreads_set(m, nth);
}
void gmx_omp_nthreads_read_env(int *nthreads_omp,
int nthreads_hw_avail,
int omp_nthreads_req,
int omp_nthreads_pme_req,
- gmx_bool bThisNodePMEOnly,
+ gmx_bool gmx_unused bThisNodePMEOnly,
gmx_bool bFullOmpSupport)
{
int nth, nth_pmeonly, gmx_maxth, nppn;
sprintf(sbuf, "thread-MPI threads");
#else
sprintf(sbuf, "MPI processes");
- sprintf(sbuf1, " per node");
- sprintf(sbuf2, "On node %d: o", cr->sim_nodeid);
+ sprintf(sbuf1, " per rank");
+ sprintf(sbuf2, "On rank %d: o", cr->sim_nodeid);
#endif
}
#endif
return modth.nth[mod];
}
}
+
+void
+gmx_omp_nthreads_set(int mod, int nthreads)
+{
+ /* Catch an attempt to set the number of threads on an invalid
+ * OpenMP module. */
+ assert(mod >= 0 && mod < emntNR);
+
+ modth.nth[mod] = nthreads;
+}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff