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Avoid using function calls in OpenMP directives
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
nbnxn_kernels
/
nbnxn_kernel_file_generator
/
nbnxn_kernel_simd_template.c.pre
diff --git
a/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
b/src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
index a3ede7190f921840e851d48b81fb5554c8bb5365..2aa4fa9fb59bf5db2dab19d027552d4707556867 100644
(file)
--- a/
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
+++ b/
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.c.pre
@@
-138,6
+138,7
@@
void
nbnxn_pairlist_t **nbl;
int coulkt, vdwkt = 0;
int nb;
nbnxn_pairlist_t **nbl;
int coulkt, vdwkt = 0;
int nb;
+ int nthreads gmx_unused;
nnbl = nbl_list->nnbl;
nbl = nbl_list->nbl;
nnbl = nbl_list->nnbl;
nbl = nbl_list->nbl;
@@
-209,7
+210,8
@@
void
gmx_incons("Unsupported VdW interaction type");
}}
gmx_incons("Unsupported VdW interaction type");
}}
-#pragma omp parallel for schedule(static) num_threads(gmx_omp_nthreads_get(emntNonbonded))
+ nthreads = gmx_omp_nthreads_get(emntNonbonded);
+#pragma omp parallel for schedule(static) num_threads(nthreads)
for (nb = 0; nb < nnbl; nb++)
{{
nbnxn_atomdata_output_t *out;
for (nb = 0; nb < nnbl; nb++)
{{
nbnxn_atomdata_output_t *out;