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Avoid using function calls in OpenMP directives
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
mdatom.c
diff --git
a/src/gromacs/mdlib/mdatom.c
b/src/gromacs/mdlib/mdatom.c
index 9c0c5943d54f139e40b6629a308b2d59955a2734..b8d51a76da80566855c2088a159bc843d3a78e4e 100644
(file)
--- 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;
t_grpopts *opts;
gmx_groups_t *groups;
gmx_molblock_t *molblock;
+ int nthreads gmx_unused;
bLJPME = EVDW_PME(ir->vdwtype);
bLJPME = EVDW_PME(ir->vdwtype);
@@
-233,7
+234,8
@@
void atoms2md(gmx_mtop_t *mtop, t_inputrec *ir,
alook = gmx_mtop_atomlookup_init(mtop);
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;
for (i = 0; i < md->nr; i++)
{
int g, ag, molb;