K-computer specific modifications

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_sparc64_hpc_ace_double / nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sparc64_hpc_ace_double.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sparc64_hpc_ace_double.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sparc64_hpc_ace_double.c
index b8636617a4417b3f88a9d6a94491d969595071a4..c42edbd9665f75146dcc16e8217f90c9e627f177 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sparc64_hpc_ace_double.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_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"
@@ -312,7 +312,8 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_VF_sparc64_hpc_ace_double
 
             /* Compute parameters for interactions between i and j atoms */
             qq00             = _fjsp_mul_v2r8(iq0,jq0);
-            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);
 
             /* Calculate table index by multiplying r with table scale and truncate to integer */
             rt               = _fjsp_mul_v2r8(r00,vftabscale);
@@ -655,7 +656,8 @@ nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_F_sparc64_hpc_ace_double
 
             /* Compute parameters for interactions between i and j atoms */
             qq00             = _fjsp_mul_v2r8(iq0,jq0);
-            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);
 
             /* Calculate table index by multiplying r with table scale and truncate to integer */
             rt               = _fjsp_mul_v2r8(r00,vftabscale);