Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / calc_verletbuf.c

diff --git a/src/gromacs/gmxpreprocess/calc_verletbuf.c b/src/gromacs/gmxpreprocess/calc_verletbuf.c
index fb84ca0e81185f2fc37c61f3cfdf2696205e45a9..09c64613796c77da8e740e378b83fe945deb680e 100644 (file)
--- a/src/gromacs/gmxpreprocess/calc_verletbuf.c
+++ b/src/gromacs/gmxpreprocess/calc_verletbuf.c
@@ -76,17 +76,14 @@ void verletbuf_get_list_setup(gmx_bool bGPU,
     }
     else
     {
-#ifndef GMX_X86_SSE2
+#ifndef GMX_NBNXN_SIMD
         list_setup->cluster_size_j = NBNXN_CPU_CLUSTER_I_SIZE;
 #else
-        int simd_width;
-
-#ifdef GMX_X86_AVX_256
-        simd_width = 256;
-#else
-        simd_width = 128;
+        list_setup->cluster_size_j = GMX_NBNXN_SIMD_BITWIDTH/(sizeof(real)*8);
+#ifdef GMX_NBNXN_SIMD_2XNN
+        /* We assume the smallest cluster size to be on the safe side */
+        list_setup->cluster_size_j /= 2;
 #endif
-        list_setup->cluster_size_j = simd_width/(sizeof(real)*8);
 #endif
     }
 }