Merge branch release-2019 into master

[alexxy/gromacs.git] / src / gromacs / nbnxm / opencl / nbnxm_ocl_data_mgmt.cpp

diff --git a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
index a531330459199caeaa30288c2c4392a23a1ebdb9..a26ab41c990e8f6f643860f02baf1dceadac1dc8 100644 (file)
--- a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
+++ b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
@@ -293,8 +293,7 @@ map_interaction_types_to_gpu_kernel_flavors(const interaction_const_t *ic,
     }
     else if ((EEL_PME(ic->eeltype) || ic->eeltype == eelEWALD))
     {
-        /* Initially rcoulomb == rvdw, so it's surely not twin cut-off. */
-        *gpu_eeltype = gpu_pick_ewald_kernel_type(false);
+        *gpu_eeltype = nbnxn_gpu_pick_ewald_kernel_type(*ic);
     }
     else
     {
@@ -429,7 +428,7 @@ void gpu_pme_loadbal_update_param(const nonbonded_verlet_t    *nbv,
 
     set_cutoff_parameters(nbp, ic, nbv->pairlistSets().params());
 
-    nbp->eeltype = gpu_pick_ewald_kernel_type(ic->rcoulomb != ic->rvdw);
+    nbp->eeltype = nbnxn_gpu_pick_ewald_kernel_type(*ic);
 
     GMX_RELEASE_ASSERT(ic->coulombEwaldTables, "Need valid Coulomb Ewald correction tables");
     init_ewald_coulomb_force_table(*ic->coulombEwaldTables, nbp, nb->dev_rundata);