Only setup Ewald in the generic group kernel if it's used

Helps to not divide by garbage values.

Change-Id: I67999c56b2ce6105d154e7f90b137f67bafd4673

diff --git a/src/gromacs/gmxlib/nonbonded/nb_generic.cpp b/src/gromacs/gmxlib/nonbonded/nb_generic.cpp
index 499b9f5d2dc6a344aed6c5a18b85f9a7b93c1935..60696ee92479d72e68e870360cb26fec81f07179 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_generic.cpp
+++ b/src/gromacs/gmxlib/nonbonded/nb_generic.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2012,2014,2015,2017, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015,2017,2018, 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.
@@ -122,9 +122,12 @@ gmx_nb_generic_kernel(t_nblist *                nlist,
 
     const interaction_const_t *ic = fr->ic;
 
-    ewtab               = ic->tabq_coul_FDV0;
-    ewtabscale          = ic->tabq_scale;
-    ewtabhalfspace      = 0.5/ewtabscale;
+    if (ielec == GMX_NBKERNEL_ELEC_EWALD)
+    {
+        ewtab               = ic->tabq_coul_FDV0;
+        ewtabscale          = ic->tabq_scale;
+        ewtabhalfspace      = 0.5/ewtabscale;
+    }
 
     rcoulomb2           = ic->rcoulomb*ic->rcoulomb;
     rvdw                = ic->rvdw;