X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fminimize.c;h=69008f53fabcb3388951c01d7554d479c67ccdca;hb=62518a2c1c18a34bb2d4c67a2bdea58f1669d0f8;hp=3cc1bbc8a08c6a9d65f6d324369dc49cc6addcd3;hpb=971191d82b4868f520baf3ff77d0c7f09143d2bd;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/minimize.c b/src/gromacs/mdlib/minimize.c index 3cc1bbc8a0..69008f53fa 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;