Merge branch release-5-1 into release-2016

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_ocl / nbnxn_ocl_kernel_amd.clh

diff --git a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_amd.clh b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_amd.clh
index d5a7fdf6fa5d0c5e1678d8a7b2c113e9780b8848..6c83d98adf00b7c93225c8cf75f33fed33d9da25 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_amd.clh
+++ b/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_amd.clh
@@ -498,6 +498,14 @@ __global float *restrict fshift,            /* stores float3 values */     /* OU
 #endif /* LJ_EWALD_COMB_GEOM */
 #endif /* LJ_EWALD */
 
+#ifdef LJ_POT_SWITCH
+#ifdef CALC_ENERGIES
+                                calculate_potential_switch_F_E(nbparam, c6, c12, inv_r, r2, &F_invr, &E_lj_p);
+#else
+                                calculate_potential_switch_F(nbparam, c6, c12, inv_r, r2, &F_invr, &E_lj_p);
+#endif /* CALC_ENERGIES */
+#endif /* LJ_POT_SWITCH */
+
 #ifdef VDW_CUTOFF_CHECK
                                 /* Separate VDW cut-off check to enable twin-range cut-offs
                                  * (rvdw < rcoulomb <= rlist)
@@ -509,14 +517,6 @@ __global float *restrict fshift,            /* stores float3 values */     /* OU
 #endif
 #endif                          /* VDW_CUTOFF_CHECK */
 
-#ifdef LJ_POT_SWITCH
-#ifdef CALC_ENERGIES
-                                calculate_potential_switch_F_E(nbparam, c6, c12, inv_r, r2, &F_invr, &E_lj_p);
-#else
-                                calculate_potential_switch_F(nbparam, c6, c12, inv_r, r2, &F_invr, &E_lj_p);
-#endif /* CALC_ENERGIES */
-#endif /* LJ_POT_SWITCH */
-
 #ifdef CALC_ENERGIES
                                 E_lj    += E_lj_p;