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Add simd reduction pragma to vectorize innermost loop on half-neighbor variant

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti 2022-03-21 17:02:09 +01:00
parent 719330807b
commit 2a555a7deb
1 changed files with 2 additions and 0 deletions
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lammps/force_lj.c
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@ -136,6 +136,8 @@ double computeForceLJHalfNeigh(Parameter *param, Atom *atom, Neighbor *neighbor,
const int type_i = atom->type[i]; const int type_i = atom->type[i];
#endif #endif
// Pragma required to vectorize the inner loop
#pragma simd reduction(+: fix,fiy,fiz)
for(int k = 0; k < numneighs; k++) { for(int k = 0; k < numneighs; k++) {
int j = neighs[k]; int j = neighs[k];
MD_FLOAT delx = xtmp - atom_x(j); MD_FLOAT delx = xtmp - atom_x(j);