K-computer specific modifications

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_sparc64_hpc_ace_double / nb_kernel_ElecRF_VdwLJ_GeomW4P1_sparc64_hpc_ace_double.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sparc64_hpc_ace_double.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sparc64_hpc_ace_double.c
index bb39a71201cc49c769398fe3a90cbefbf89c4da3..93df321d6cc843d5cfe69cbeaf41fd5721534915 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sparc64_hpc_ace_double.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_sparc64_hpc_ace_double.c
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -43,7 +43,7 @@
 
 #include "../nb_kernel.h"
 #include "types/simple.h"
-#include "vec.h"
+#include "gromacs/legacyheaders/vec.h"
 #include "nrnb.h"
 
 #include "kernelutil_sparc64_hpc_ace_double.h"
@@ -390,7 +390,8 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_VF_sparc64_hpc_ace_double
              **************************/
 
             /* Compute parameters for interactions between i and j atoms */
-            gmx_fjsp_load_1pair_swizzle_v2r8(vdwparam+vdwioffset0+vdwjidx0A,&c6_00,&c12_00);
+            gmx_fjsp_load_2pair_swizzle_v2r8(vdwparam+vdwioffset0+vdwjidx0A,
+                                         vdwparam+vdwioffset0+vdwjidx0B,&c6_00,&c12_00);
 
             /* LENNARD-JONES DISPERSION/REPULSION */
 
@@ -849,7 +850,8 @@ nb_kernel_ElecRF_VdwLJ_GeomW4P1_F_sparc64_hpc_ace_double
              **************************/
 
             /* Compute parameters for interactions between i and j atoms */
-            gmx_fjsp_load_1pair_swizzle_v2r8(vdwparam+vdwioffset0+vdwjidx0A,&c6_00,&c12_00);
+            gmx_fjsp_load_2pair_swizzle_v2r8(vdwparam+vdwioffset0+vdwjidx0A,
+                                         vdwparam+vdwioffset0+vdwjidx0B,&c6_00,&c12_00);
 
             /* LENNARD-JONES DISPERSION/REPULSION */