X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fminimize.c;h=5255d544d146f0fa3cea26efe922ef5f8665a302;hb=19d3c2e5d0c401eb59010960d11a18b6ba2c54c6;hp=234bcbdd8fc68df3abae1445a5c266ba73d8a294;hpb=fe90f1c1c71a3a43a27ec9ba76e772ae54786c7f;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/minimize.c b/src/gromacs/mdlib/minimize.c index 234bcbdd8f..5255d544d1 100644 --- a/src/gromacs/mdlib/minimize.c +++ b/src/gromacs/mdlib/minimize.c @@ -550,6 +550,7 @@ static void do_em_step(t_commrec *cr, t_inputrec *ir, t_mdatoms *md, int start, end; rvec *x1, *x2; real dvdl_constr; + int nthreads gmx_unused; s1 = &ems1->s; s2 = &ems2->s; @@ -587,7 +588,8 @@ static void do_em_step(t_commrec *cr, t_inputrec *ir, t_mdatoms *md, x1 = s1->x; x2 = s2->x; -#pragma omp parallel num_threads(gmx_omp_nthreads_get(emntUpdate)) + nthreads = gmx_omp_nthreads_get(emntUpdate); +#pragma omp parallel num_threads(nthreads) { int gf, i, m;