X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fmdatom.c;h=b8d51a76da80566855c2088a159bc843d3a78e4e;hb=62518a2c1c18a34bb2d4c67a2bdea58f1669d0f8;hp=9c0c5943d54f139e40b6629a308b2d59955a2734;hpb=971191d82b4868f520baf3ff77d0c7f09143d2bd;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/mdatom.c b/src/gromacs/mdlib/mdatom.c index 9c0c5943d5..b8d51a76da 100644 --- a/src/gromacs/mdlib/mdatom.c +++ b/src/gromacs/mdlib/mdatom.c @@ -121,6 +121,7 @@ void atoms2md(gmx_mtop_t *mtop, t_inputrec *ir, t_grpopts *opts; gmx_groups_t *groups; gmx_molblock_t *molblock; + int nthreads gmx_unused; bLJPME = EVDW_PME(ir->vdwtype); @@ -233,7 +234,8 @@ void atoms2md(gmx_mtop_t *mtop, t_inputrec *ir, alook = gmx_mtop_atomlookup_init(mtop); -#pragma omp parallel for num_threads(gmx_omp_nthreads_get(emntDefault)) schedule(static) + nthreads = gmx_omp_nthreads_get(emntDefault); +#pragma omp parallel for num_threads(nthreads) schedule(static) for (i = 0; i < md->nr; i++) { int g, ag, molb;