Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_avx_256_double / nb_kernel_template_avx_256_double.pre

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre
index 9f36946353161cecea954211e171a9aae4b784f2..2f0e86719395d773f98f8e170853deca4475dff1 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre
@@ -594,6 +594,9 @@ void
             FF               = _mm256_add_pd(Fp,_mm256_mul_pd(gbeps,_mm256_add_pd(G,_mm256_add_pd(Heps,Heps))));
             fgb              = _mm256_mul_pd(gbqqfactor,_mm256_mul_pd(FF,gbscale));
             dvdatmp          = _mm256_mul_pd(minushalf,_mm256_add_pd(vgb,_mm256_mul_pd(fgb,r{I}{J})));
+            /*                 #if ROUND == 'Epilogue' */
+            dvdatmp          = _mm256_andnot_ps(dummy_mask,dvdatmp);
+            /*                 #endif */
             dvdasum          = _mm256_add_pd(dvdasum,dvdatmp);
             /*                 #if ROUND == 'Loop' */
             fjptrA           = dvda+jnrA;