From 4c5f013bf4da44f6d1ec7bd45b498a45bac1be41 Mon Sep 17 00:00:00 2001 From: Rafael Ravedutti Date: Wed, 2 Feb 2022 18:07:56 +0100 Subject: [PATCH] Assign masked adds results to forces Signed-off-by: Rafael Ravedutti --- gromacs/force_lj.c | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/gromacs/force_lj.c b/gromacs/force_lj.c index cfc3029..b861019 100644 --- a/gromacs/force_lj.c +++ b/gromacs/force_lj.c @@ -216,18 +216,18 @@ double computeForceLJ_4xn(Parameter *param, Atom *atom, Neighbor *neighbor, Stat MD_SIMD_FLOAT force2 = simd_mul(c48_vec, simd_mul(sr6_2, simd_mul(simd_sub(sr6_2, c05_vec), simd_mul(sr2_2, epsilon_vec)))); MD_SIMD_FLOAT force3 = simd_mul(c48_vec, simd_mul(sr6_3, simd_mul(simd_sub(sr6_3, c05_vec), simd_mul(sr2_3, epsilon_vec)))); - simd_masked_add(fix0, simd_mul(delx0, force0), cutoff_mask0); - simd_masked_add(fiy0, simd_mul(dely0, force0), cutoff_mask0); - simd_masked_add(fiz0, simd_mul(delz0, force0), cutoff_mask0); - simd_masked_add(fix1, simd_mul(delx1, force1), cutoff_mask1); - simd_masked_add(fiy1, simd_mul(dely1, force1), cutoff_mask1); - simd_masked_add(fiz1, simd_mul(delz1, force1), cutoff_mask1); - simd_masked_add(fix2, simd_mul(delx2, force2), cutoff_mask2); - simd_masked_add(fiy2, simd_mul(dely2, force2), cutoff_mask2); - simd_masked_add(fiz2, simd_mul(delz2, force2), cutoff_mask2); - simd_masked_add(fix3, simd_mul(delx3, force3), cutoff_mask3); - simd_masked_add(fiy3, simd_mul(dely3, force3), cutoff_mask3); - simd_masked_add(fiz3, simd_mul(delz3, force3), cutoff_mask3); + fix0 = simd_masked_add(fix0, simd_mul(delx0, force0), cutoff_mask0); + fiy0 = simd_masked_add(fiy0, simd_mul(dely0, force0), cutoff_mask0); + fiz0 = simd_masked_add(fiz0, simd_mul(delz0, force0), cutoff_mask0); + fix1 = simd_masked_add(fix1, simd_mul(delx1, force1), cutoff_mask1); + fiy1 = simd_masked_add(fiy1, simd_mul(dely1, force1), cutoff_mask1); + fiz1 = simd_masked_add(fiz1, simd_mul(delz1, force1), cutoff_mask1); + fix2 = simd_masked_add(fix2, simd_mul(delx2, force2), cutoff_mask2); + fiy2 = simd_masked_add(fiy2, simd_mul(dely2, force2), cutoff_mask2); + fiz2 = simd_masked_add(fiz2, simd_mul(delz2, force2), cutoff_mask2); + fix3 = simd_masked_add(fix3, simd_mul(delx3, force3), cutoff_mask3); + fiy3 = simd_masked_add(fiy3, simd_mul(dely3, force3), cutoff_mask3); + fiz3 = simd_masked_add(fiz3, simd_mul(delz3, force3), cutoff_mask3); } cluster_x(cifptr, 0) = simd_horizontal_sum(fix0);