* This file is part of the GROMACS molecular simulation package.
*
* Copyright (c) 2012,2013,2014,2015,2016 by the GROMACS development team.
- * Copyright (c) 2017,2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018,2019,2020,2021, 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.
#include "gromacs/gmxlib/network.h"
#include "gromacs/mdtypes/commrec.h"
#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/gmxomp.h"
int gnth; /**< Global num. of threads per PP or PP+PME process/tMPI thread. */
int gnth_pme; /**< Global num. of threads per PME only process/tMPI thread. */
- int nth[emntNR]; /**< Number of threads for each module, indexed with module_nth_t */
- gmx_bool initialized; /**< TRUE if the module as been initialized. */
+ gmx::EnumerationArray<ModuleMultiThread, int> nth; /**< Number of threads for each module, indexed with module_nth_t */
+ bool initialized; /**< TRUE if the module as been initialized. */
} omp_module_nthreads_t;
/** Names of environment variables to set the per module number of threads.
*
* Indexed with the values of module_nth_t.
* */
-static const char* modth_env_var[emntNR] = { "GMX_DEFAULT_NUM_THREADS should never be set",
- "GMX_DOMDEC_NUM_THREADS",
- "GMX_PAIRSEARCH_NUM_THREADS",
- "GMX_NONBONDED_NUM_THREADS",
- "GMX_LISTED_FORCES_NUM_THREADS",
- "GMX_PME_NUM_THREADS",
- "GMX_UPDATE_NUM_THREADS",
- "GMX_VSITE_NUM_THREADS",
- "GMX_LINCS_NUM_THREADS",
- "GMX_SETTLE_NUM_THREADS" };
+static const char* enumValueToEnvVariableString(ModuleMultiThread enumValue)
+{
+ constexpr gmx::EnumerationArray<ModuleMultiThread, const char*> moduleMultiThreadEnvVariableNames = {
+ "GMX_DEFAULT_NUM_THREADS should never be set",
+ "GMX_DOMDEC_NUM_THREADS",
+ "GMX_PAIRSEARCH_NUM_THREADS",
+ "GMX_NONBONDED_NUM_THREADS",
+ "GMX_LISTED_FORCES_NUM_THREADS",
+ "GMX_PME_NUM_THREADS",
+ "GMX_UPDATE_NUM_THREADS",
+ "GMX_VSITE_NUM_THREADS",
+ "GMX_LINCS_NUM_THREADS",
+ "GMX_SETTLE_NUM_THREADS"
+ };
+ return moduleMultiThreadEnvVariableNames[enumValue];
+}
/** Names of the modules. */
-static const char* mod_name[emntNR] = { "default", "domain decomposition",
- "pair search", "non-bonded",
- "bonded", "PME",
- "update", "LINCS",
- "SETTLE" };
+static const char* enumValueToString(ModuleMultiThread enumValue)
+{
+ constexpr gmx::EnumerationArray<ModuleMultiThread, const char*> moduleMultiThreadNames = {
+ "default", "domain decomposition",
+ "pair search", "non-bonded",
+ "bonded", "PME",
+ "update", "LINCS",
+ "SETTLE"
+ };
+ return moduleMultiThreadNames[enumValue];
+}
/** Number of threads for each algorithmic module.
*
* All fields are initialized to 0 which should result in errors if
* the init call is omitted.
* */
+// NOLINTNEXTLINE(cppcoreguidelines-avoid-non-const-global-variables)
static omp_module_nthreads_t modth = { 0, 0, { 0, 0, 0, 0, 0, 0, 0, 0, 0 }, FALSE };
* GMX_*_NUM_THERADS env var is set, case in which its value overrides
* the default.
*/
-static void pick_module_nthreads(const gmx::MDLogger& mdlog, int m, gmx_bool bSepPME)
+static void pick_module_nthreads(const gmx::MDLogger& mdlog, ModuleMultiThread m, gmx_bool bSepPME)
{
char* env;
int nth;
/* The default should never be set through a GMX_*_NUM_THREADS env var
* as it's always equal with gnth. */
- if (m == emntDefault)
+ if (m == ModuleMultiThread::Default)
{
return;
}
/* check the environment variable */
- if ((env = getenv(modth_env_var[m])) != nullptr)
+ if ((env = getenv(enumValueToEnvVariableString(m))) != nullptr)
{
sscanf(env, "%d", &nth);
if (!bOMP)
{
gmx_warning("%s=%d is set, but %s is compiled without OpenMP!",
- modth_env_var[m],
+ enumValueToEnvVariableString(m),
nth,
gmx::getProgramContext().displayName());
}
gmx_warning(
"%s=%d is set, the default number of threads also "
"needs to be set with OMP_NUM_THREADS!",
- modth_env_var[m],
+ enumValueToEnvVariableString(m),
nth);
}
/* only babble if we are really overriding with a different value */
- if ((bSepPME && m == emntPME && nth != modth.gnth_pme) || (nth != modth.gnth))
+ if ((bSepPME && m == ModuleMultiThread::PME && nth != modth.gnth_pme) || (nth != modth.gnth))
{
GMX_LOG(mdlog.warning)
.asParagraph()
.appendTextFormatted("%s=%d set, overriding the default number of %s threads",
- modth_env_var[m],
+ enumValueToString(m),
nth,
- mod_name[m]);
+ enumValueToEnvVariableString(m));
}
}
else
{
/* pick the global PME node nthreads if we are setting the number
* of threads in separate PME nodes */
- nth = (bSepPME && m == emntPME) ? modth.gnth_pme : modth.gnth;
+ nth = (bSepPME && m == ModuleMultiThread::PME) ? modth.gnth_pme : modth.gnth;
}
gmx_omp_nthreads_set(m, nth);
}
/* now set the per-module values */
- modth.nth[emntDefault] = modth.gnth;
- pick_module_nthreads(mdlog, emntDomdec, bSepPME);
- pick_module_nthreads(mdlog, emntPairsearch, bSepPME);
- pick_module_nthreads(mdlog, emntNonbonded, bSepPME);
- pick_module_nthreads(mdlog, emntBonded, bSepPME);
- pick_module_nthreads(mdlog, emntPME, bSepPME);
- pick_module_nthreads(mdlog, emntUpdate, bSepPME);
- pick_module_nthreads(mdlog, emntVSITE, bSepPME);
- pick_module_nthreads(mdlog, emntLINCS, bSepPME);
- pick_module_nthreads(mdlog, emntSETTLE, bSepPME);
+ modth.nth[ModuleMultiThread::Default] = modth.gnth;
+ pick_module_nthreads(mdlog, ModuleMultiThread::Domdec, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::Pairsearch, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::Nonbonded, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::Bonded, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::PME, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::Update, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::VSITE, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::LINCS, bSepPME);
+ pick_module_nthreads(mdlog, ModuleMultiThread::SETTLE, bSepPME);
/* set the number of threads globally */
if (bOMP)
reportOpenmpSettings(mdlog, cr, bOMP, bSepPME);
}
-int gmx_omp_nthreads_get(int mod)
+int gmx_omp_nthreads_get(ModuleMultiThread mod)
{
- if (mod < 0 || mod >= emntNR)
+ if (mod < ModuleMultiThread::Default || mod >= ModuleMultiThread::Count)
{
/* invalid module queried */
return -1;
}
}
-void gmx_omp_nthreads_set(int mod, int nthreads)
+void gmx_omp_nthreads_set(ModuleMultiThread mod, int nthreads)
{
/* Catch an attempt to set the number of threads on an invalid
* OpenMP module. */
- GMX_RELEASE_ASSERT(mod >= 0 && mod < emntNR, "Trying to set nthreads on invalid OpenMP module");
+ GMX_RELEASE_ASSERT(mod >= ModuleMultiThread::Default && mod < ModuleMultiThread::Count,
+ "Trying to set nthreads on invalid OpenMP module");
modth.nth[mod] = nthreads;
}
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