Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_sparc64_hpc_ace_double / nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sparc64_hpc_ace_double.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sparc64_hpc_ace_double.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sparc64_hpc_ace_double.c
index 7743a69904257ae429b9db1dbbd7752f24ecc2f8..83148ea8666e9610d92b23dde1b56cc6743a09be 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sparc64_hpc_ace_double.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_sparc64_hpc_ace_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_sparc64_hpc_ace_double.c
@@ -399,7 +399,8 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_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);
 
             /* REACTION-FIELD ELECTROSTATICS */
             velec            = _fjsp_mul_v2r8(qq00,_fjsp_sub_v2r8(_fjsp_madd_v2r8(krf,rsq00,rinv00),crf));
@@ -871,7 +872,8 @@ nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_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);
 
             /* REACTION-FIELD ELECTROSTATICS */
             felec            = _fjsp_mul_v2r8(qq00,_fjsp_msub_v2r8(rinv00,rinvsq00,krf2));