Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_avx_256_single / nb_kernel_template_avx_256_single.pre

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre
index 89bfdd3514646bab46276d15bdaa493ffd873f85..6cc310d76db7abded10073d5b6ed350b963c9a60 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre
@@ -649,6 +649,9 @@ void
             FF               = _mm256_add_ps(Fp,_mm256_mul_ps(gbeps,_mm256_add_ps(G,_mm256_add_ps(Heps,Heps))));
             fgb              = _mm256_mul_ps(gbqqfactor,_mm256_mul_ps(FF,gbscale));
             dvdatmp          = _mm256_mul_ps(minushalf,_mm256_add_ps(vgb,_mm256_mul_ps(fgb,r{I}{J})));
+            /*                 #if ROUND == 'Epilogue' */
+            dvdatmp          = _mm256_andnot_ps(dummy_mask,dvdatmp);
+            /*                 #endif */
             dvdasum          = _mm256_add_ps(dvdasum,dvdatmp);
             /*                 #if ROUND == 'Loop' */
             fjptrA           = dvda+jnrA;