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Assign masked adds results to forces

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti 2022-02-02 18:07:56 +01:00
parent 6ad1e58a3e
commit 4c5f013bf4
1 changed files with 12 additions and 12 deletions
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24
gromacs/force_lj.c
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@ -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 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)))); 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); fix0 = simd_masked_add(fix0, simd_mul(delx0, force0), cutoff_mask0);
simd_masked_add(fiy0, simd_mul(dely0, force0), cutoff_mask0); fiy0 = simd_masked_add(fiy0, simd_mul(dely0, force0), cutoff_mask0);
simd_masked_add(fiz0, simd_mul(delz0, force0), cutoff_mask0); fiz0 = simd_masked_add(fiz0, simd_mul(delz0, force0), cutoff_mask0);
simd_masked_add(fix1, simd_mul(delx1, force1), cutoff_mask1); fix1 = simd_masked_add(fix1, simd_mul(delx1, force1), cutoff_mask1);
simd_masked_add(fiy1, simd_mul(dely1, force1), cutoff_mask1); fiy1 = simd_masked_add(fiy1, simd_mul(dely1, force1), cutoff_mask1);
simd_masked_add(fiz1, simd_mul(delz1, force1), cutoff_mask1); fiz1 = simd_masked_add(fiz1, simd_mul(delz1, force1), cutoff_mask1);
simd_masked_add(fix2, simd_mul(delx2, force2), cutoff_mask2); fix2 = simd_masked_add(fix2, simd_mul(delx2, force2), cutoff_mask2);
simd_masked_add(fiy2, simd_mul(dely2, force2), cutoff_mask2); fiy2 = simd_masked_add(fiy2, simd_mul(dely2, force2), cutoff_mask2);
simd_masked_add(fiz2, simd_mul(delz2, force2), cutoff_mask2); fiz2 = simd_masked_add(fiz2, simd_mul(delz2, force2), cutoff_mask2);
simd_masked_add(fix3, simd_mul(delx3, force3), cutoff_mask3); fix3 = simd_masked_add(fix3, simd_mul(delx3, force3), cutoff_mask3);
simd_masked_add(fiy3, simd_mul(dely3, force3), cutoff_mask3); fiy3 = simd_masked_add(fiy3, simd_mul(dely3, force3), cutoff_mask3);
simd_masked_add(fiz3, simd_mul(delz3, force3), cutoff_mask3); fiz3 = simd_masked_add(fiz3, simd_mul(delz3, force3), cutoff_mask3);
} }
cluster_x(cifptr, 0) = simd_horizontal_sum(fix0); cluster_x(cifptr, 0) = simd_horizontal_sum(fix0);