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Avoid using function calls in OpenMP directives
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
nbnxn_kernels
/
simd_2xnn
/
nbnxn_kernel_simd_2xnn.c
diff --git
a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c
b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c
index 45f09bc4621d64d900ba6c9fc66effead4372743..35181d43eb17c584fa2af44b62f20aef15443875 100644
(file)
--- a/
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c
+++ b/
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn.c
@@
-273,6
+273,7
@@
nbnxn_kernel_simd_2xnn(nbnxn_pairlist_set_t gmx_unused *nbl_list,
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;
@@
-344,7
+345,8
@@
nbnxn_kernel_simd_2xnn(nbnxn_pairlist_set_t gmx_unused *nbl_list,
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;