Changed norm(...) > 0 condition to norm2(...) > 0 in init_ekindata()

Fixes issue #1856 on K computer

Change-Id: Ib4f301f17124077bb6cc2aa6b955d01ccdcaec1b

diff --git a/src/gromacs/mdlib/tgroup.c b/src/gromacs/mdlib/tgroup.c
index cd32b2477b56b8e75e481b042602e96f3e0ad10f..1c8da44681c34ab9949b52232d327c11ff34ee24 100644 (file)
--- a/src/gromacs/mdlib/tgroup.c
+++ b/src/gromacs/mdlib/tgroup.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2016, 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.
@@ -107,7 +107,7 @@ void init_ekindata(FILE gmx_unused *log, gmx_mtop_t *mtop, t_grpopts *opts,
      * Turn this on when we have multiple acceleration groups
      * or one accelerated group.
      */
-    ekind->bNEMD = (opts->ngacc > 1 || norm(opts->acc[0]) > 0);
+    ekind->bNEMD = (opts->ngacc > 1 || norm2(opts->acc[0]) > 0);
 
     ekind->ngtc = opts->ngtc;
     snew(ekind->tcstat, opts->ngtc);