From bfde34574dc35c02421b6488b160166d87b0e4b4 Mon Sep 17 00:00:00 2001 From: Roland Schulz Date: Tue, 15 Jul 2014 20:13:01 -0400 Subject: [PATCH] Fix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS Change-Id: I7d5416fa299e244244d7bf48e785090da2e0b6d0 --- src/gromacs/mdlib/forcerec.c | 2 +- src/gromacs/mdlib/nbnxn_search.c | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/gromacs/mdlib/forcerec.c b/src/gromacs/mdlib/forcerec.c index fa66ca664b..401f04c042 100644 --- a/src/gromacs/mdlib/forcerec.c +++ b/src/gromacs/mdlib/forcerec.c @@ -2240,7 +2240,7 @@ static void init_nb_verlet(FILE *fp, DOMAINDECOMP(cr) ? &cr->dd->nc : NULL, DOMAINDECOMP(cr) ? domdec_zones(cr->dd) : NULL, bFEP_NonBonded, - gmx_omp_nthreads_get(emntNonbonded)); + gmx_omp_nthreads_get(emntPairsearch)); for (i = 0; i < nbv->ngrp; i++) { diff --git a/src/gromacs/mdlib/nbnxn_search.c b/src/gromacs/mdlib/nbnxn_search.c index ae8b82caf7..1bc3f05847 100644 --- a/src/gromacs/mdlib/nbnxn_search.c +++ b/src/gromacs/mdlib/nbnxn_search.c @@ -1697,8 +1697,8 @@ static void calc_cell_indices(const nbnxn_search_t nbs, } /* Sort the super-cell columns along z into the sub-cells. */ -#pragma omp parallel for num_threads(nbs->nthread_max) schedule(static) - for (thread = 0; thread < nbs->nthread_max; thread++) +#pragma omp parallel for num_threads(nthread) schedule(static) + for (thread = 0; thread < nthread; thread++) { if (grid->bSimple) { -- 2.22.0