/** Determine the number of threads for module \p mod.
*
* \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
* GMX_*_NUM_THERADS env var is set, case in which its value overrides
* the deafult.
*
* The "group" scheme supports OpenMP only in PME and in thise case all but
* the PME nthread values default to 1.
*/
static void pick_module_nthreads(const gmx::MDLogger &mdlog, int m,
gmx_bool bFullOmpSupport,
gmx_bool bSepPME)
{
char *env;
int nth;
const bool bOMP = GMX_OPENMP;
/* The default should never be set through a GMX_*_NUM_THREADS env var
* as it's always equal with gnth. */
if (m == emntDefault)
{
return;
}
/* check the environment variable */
if ((env = getenv(modth_env_var[m])) != nullptr)
{
sscanf(env, "%d", &nth);
if (!bOMP)
{
gmx_warning("%s=%d is set, but %s is compiled without OpenMP!",
modth_env_var[m], nth,
gmx::getProgramContext().displayName());
}
/* with the verlet codepath, when any GMX_*_NUM_THREADS env var is set,
* OMP_NUM_THREADS also has to be set */
if (bFullOmpSupport && 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);
}
/* with the group scheme warn if any env var except PME is set */
if (!bFullOmpSupport)
{
if (m != emntPME)
{
gmx_warning("%s=%d is set, but OpenMP multithreading is not "
"supported in %s!",
modth_env_var[m], nth, mod_name[m]);
nth = 1;
}
}
/* 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]);
}
}
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;
}
gmx_omp_nthreads_set(m, nth);
}
/** Determine the number of threads for module \p mod.
*
* \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
* GMX_*_NUM_THERADS env var is set, case in which its value overrides
* the deafult.
*
* The "group" scheme supports OpenMP only in PME and in thise case all but
* the PME nthread values default to 1.
*/
static void pick_module_nthreads(FILE *fplog, int m,
gmx_bool bSimMaster,
gmx_bool bFullOmpSupport,
gmx_bool bSepPME)
{
char *env;
int nth;
char sbuf[STRLEN];
gmx_bool bOMP;
#ifdef GMX_OPENMP
bOMP = TRUE;
#else
bOMP = FALSE;
#endif /* GMX_OPENMP */
/* The default should never be set through a GMX_*_NUM_THREADS env var
* as it's always equal with gnth. */
if (m == emntDefault)
{
return;
}
/* check the environment variable */
if ((env = getenv(modth_env_var[m])) != NULL)
{
sscanf(env, "%d", &nth);
if (!bOMP)
{
gmx_warning("%s=%d is set, but %s is compiled without OpenMP!",
modth_env_var[m], nth, ShortProgram());
}
/* with the verlet codepath, when any GMX_*_NUM_THREADS env var is set,
* 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);
}
/* with the group scheme warn if any env var except PME is set */
if (!bFullOmpSupport)
{
if (m != emntPME)
{
gmx_warning("%s=%d is set, but OpenMP multithreading is not "
"supported in %s!",
modth_env_var[m], nth, mod_name[m]);
nth = 1;
}
}
/* only babble if we are really overriding with a different value */
if ((bSepPME && m == emntPME && nth != modth.gnth_pme) || (nth != modth.gnth))
{
sprintf(sbuf, "%s=%d set, overriding the default number of %s threads",
modth_env_var[m], nth, mod_name[m]);
if (bSimMaster)
{
fprintf(stderr, "\n%s\n", sbuf);
}
if (fplog)
{
fprintf(fplog, "%s\n", sbuf);
}
}
}
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;
}
gmx_omp_nthreads_set(m, nth);
}