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Merge release-5-0 into master
[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 ed1456873bcf373c6844295b7b286eb79e8a5577..1d8567b206d4619eab232683f732d56f20b71010 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
@@
-274,6
+274,7
@@
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;
@@
-345,7
+346,8
@@
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;