* algorithmic module in mdrun. */
typedef struct
{
- 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 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. */
+ int nth[emntNR]; /**< Number of threads for each module, indexed with module_nth_t */
+ gmx_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* 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" };
/** 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* mod_name[emntNR] = { "default", "domain decomposition",
+ "pair search", "non-bonded",
+ "bonded", "PME",
+ "update", "LINCS",
+ "SETTLE" };
/** Number of threads for each algorithmic module.
*
* 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};
+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 \p mod.
* 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, int m, gmx_bool bSepPME)
{
- char *env;
- int nth;
+ char* env;
+ int nth;
const bool bOMP = GMX_OPENMP;
if (!bOMP)
{
- gmx_warning("%s=%d is set, but %s is compiled without OpenMP!",
- modth_env_var[m], nth,
+ gmx_warning("%s=%d is set, but %s is compiled without OpenMP!", modth_env_var[m], nth,
gmx::getProgramContext().displayName());
}
* OMP_NUM_THREADS also has to be set */
if (getenv("OMP_NUM_THREADS") == nullptr)
{
- 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);
+ 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);
}
/* only babble if we are really overriding with a different value */
if ((bSepPME && m == emntPME && 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], nth, mod_name[m]);
+ GMX_LOG(mdlog.warning)
+ .asParagraph()
+ .appendTextFormatted("%s=%d set, overriding the default number of %s threads",
+ modth_env_var[m], nth, mod_name[m]);
}
}
else
gmx_omp_nthreads_set(m, nth);
}
-void gmx_omp_nthreads_read_env(const gmx::MDLogger &mdlog,
- int *nthreads_omp)
+void gmx_omp_nthreads_read_env(const gmx::MDLogger& mdlog, int* nthreads_omp)
{
- char *env;
+ char* env;
gmx_bool bCommandLineSetNthreadsOMP = *nthreads_omp > 0;
char buffer[STRLEN];
if (bCommandLineSetNthreadsOMP && nt_omp != *nthreads_omp)
{
- gmx_fatal(FARGS, "Environment variable OMP_NUM_THREADS (%d) and the number of threads requested on the command line (%d) have different values. Either omit one, or set them both to the same value.", nt_omp, *nthreads_omp);
+ gmx_fatal(FARGS,
+ "Environment variable OMP_NUM_THREADS (%d) and the number of threads "
+ "requested on the command line (%d) have different values. Either omit one, "
+ "or set them both to the same value.",
+ nt_omp, *nthreads_omp);
}
/* Setting the number of OpenMP threads. */
/* Output the results */
sprintf(buffer,
- "\nThe number of OpenMP threads was set by environment variable OMP_NUM_THREADS to %d%s\n\n",
+ "\nThe number of OpenMP threads was set by environment variable OMP_NUM_THREADS to "
+ "%d%s\n\n",
nt_omp,
bCommandLineSetNthreadsOMP ? " (and the command-line setting agreed with that)" : "");
/*! \brief Helper function for parsing various input about the number
of OpenMP threads to use in various modules and deciding what to
do about it. */
-static void manage_number_of_openmp_threads(const gmx::MDLogger &mdlog,
- const t_commrec *cr,
+static void manage_number_of_openmp_threads(const gmx::MDLogger& mdlog,
+ const t_commrec* cr,
bool bOMP,
int nthreads_hw_avail,
int omp_nthreads_req,
int omp_nthreads_pme_req,
- gmx_bool gmx_unused bThisNodePMEOnly,
- int numRanksOnThisNode,
- gmx_bool bSepPME)
+ gmx_bool gmx_unused bThisNodePMEOnly,
+ int numRanksOnThisNode,
+ gmx_bool bSepPME)
{
- int nth;
- char *env;
+ int nth;
+ char* env;
#if GMX_THREAD_MPI
/* modth is shared among tMPI threads, so for thread safety, the
gmx_omp_set_num_threads(modth.gnth_pme);
}
else
-#endif /* GMX_THREAD_MPI */
+#endif /* GMX_THREAD_MPI */
{
gmx_omp_set_num_threads(nth);
}
}
/*! \brief Report on the OpenMP settings that will be used */
-static void
-reportOpenmpSettings(const gmx::MDLogger &mdlog,
- const t_commrec *cr,
- gmx_bool bOMP,
- gmx_bool bSepPME)
+static void reportOpenmpSettings(const gmx::MDLogger& mdlog, const t_commrec* cr, gmx_bool bOMP, gmx_bool bSepPME)
{
#if GMX_THREAD_MPI
- const char *mpi_str = "per tMPI thread";
+ const char* mpi_str = "per tMPI thread";
#else
- const char *mpi_str = "per MPI process";
+ const char* mpi_str = "per MPI process";
#endif
- int nth_min, nth_max, nth_pme_min, nth_pme_max;
+ int nth_min, nth_max, nth_pme_min, nth_pme_max;
/* inform the user about the settings */
if (!bOMP)
int buf_in[4], buf_out[4];
buf_in[0] = -modth.gnth;
- buf_in[1] = modth.gnth;
+ buf_in[1] = modth.gnth;
buf_in[2] = -modth.gnth_pme;
- buf_in[3] = modth.gnth_pme;
+ buf_in[3] = modth.gnth_pme;
MPI_Allreduce(buf_in, buf_out, 4, MPI_INT, MPI_MAX, cr->mpi_comm_mysim);
nth_min = -buf_out[0];
- nth_max = buf_out[1];
+ nth_max = buf_out[1];
nth_pme_min = -buf_out[2];
- nth_pme_max = buf_out[3];
+ nth_pme_max = buf_out[3];
}
else
#endif
if (nth_max == nth_min)
{
- GMX_LOG(mdlog.warning).appendTextFormatted(
- "Using %d OpenMP thread%s %s",
- nth_min, nth_min > 1 ? "s" : "",
- cr->nnodes > 1 ? mpi_str : "");
+ GMX_LOG(mdlog.warning)
+ .appendTextFormatted("Using %d OpenMP thread%s %s", nth_min, nth_min > 1 ? "s" : "",
+ cr->nnodes > 1 ? mpi_str : "");
}
else
{
- GMX_LOG(mdlog.warning).appendTextFormatted(
- "Using %d - %d OpenMP threads %s",
- nth_min, nth_max, mpi_str);
+ GMX_LOG(mdlog.warning).appendTextFormatted("Using %d - %d OpenMP threads %s", nth_min, nth_max, mpi_str);
}
if (bSepPME && (nth_pme_min != nth_min || nth_pme_max != nth_max))
{
if (nth_pme_max == nth_pme_min)
{
- GMX_LOG(mdlog.warning).appendTextFormatted(
- "Using %d OpenMP thread%s %s for PME",
- nth_pme_min, nth_pme_min > 1 ? "s" : "",
- cr->nnodes > 1 ? mpi_str : "");
+ GMX_LOG(mdlog.warning)
+ .appendTextFormatted("Using %d OpenMP thread%s %s for PME", nth_pme_min,
+ nth_pme_min > 1 ? "s" : "", cr->nnodes > 1 ? mpi_str : "");
}
else
{
- GMX_LOG(mdlog.warning).appendTextFormatted(
- "Using %d - %d OpenMP threads %s for PME",
- nth_pme_min, nth_pme_max, mpi_str);
+ GMX_LOG(mdlog.warning)
+ .appendTextFormatted("Using %d - %d OpenMP threads %s for PME", nth_pme_min,
+ nth_pme_max, mpi_str);
}
}
GMX_LOG(mdlog.warning);
}
-void gmx_omp_nthreads_init(const gmx::MDLogger &mdlog, t_commrec *cr,
- int nthreads_hw_avail,
- int numRanksOnThisNode,
- int omp_nthreads_req,
- int omp_nthreads_pme_req,
- gmx_bool bThisNodePMEOnly)
+void gmx_omp_nthreads_init(const gmx::MDLogger& mdlog,
+ t_commrec* cr,
+ int nthreads_hw_avail,
+ int numRanksOnThisNode,
+ int omp_nthreads_req,
+ int omp_nthreads_pme_req,
+ gmx_bool bThisNodePMEOnly)
{
- gmx_bool bSepPME;
+ gmx_bool bSepPME;
const bool bOMP = GMX_OPENMP;
bSepPME = (thisRankHasDuty(cr, DUTY_PP) != thisRankHasDuty(cr, DUTY_PME));
- manage_number_of_openmp_threads(mdlog, cr, bOMP,
- nthreads_hw_avail,
- omp_nthreads_req, omp_nthreads_pme_req,
- bThisNodePMEOnly, numRanksOnThisNode, bSepPME);
+ manage_number_of_openmp_threads(mdlog, cr, bOMP, nthreads_hw_avail, omp_nthreads_req,
+ omp_nthreads_pme_req, bThisNodePMEOnly, numRanksOnThisNode, bSepPME);
#if GMX_THREAD_MPI
/* Non-master threads have to wait for the OpenMP management to be
* done, so that code elsewhere that uses OpenMP can be certain
}
}
-void
-gmx_omp_nthreads_set(int mod, int nthreads)
+void gmx_omp_nthreads_set(int mod, int nthreads)
{
/* Catch an attempt to set the number of threads on an invalid
* OpenMP module. */
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff