Give bTypePerturbed a valid initial value

[alexxy/gromacs.git] / src / gromacs / mdlib / perf_est.c

diff --git a/src/gromacs/mdlib/perf_est.c b/src/gromacs/mdlib/perf_est.c
index def9c5b310235deae3399b5550cb52754c9a7901..67a12850c1aa8afcf1c8f95f5bcdfa54fdc29e8f 100644 (file)
--- a/src/gromacs/mdlib/perf_est.c
+++ b/src/gromacs/mdlib/perf_est.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2008, The GROMACS development team.
- * Copyright (c) 2012,2014, by the GROMACS development team, led by
+ * Copyright (c) 2012,2014,2015, 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.
@@ -101,6 +101,9 @@ int n_bonded_dx(gmx_mtop_t *mtop, gmx_bool bExcl)
      */
     ndx      = 0;
     ndx_excl = 0;
+#if __ICC == 1400 || __ICL == 1400
+#pragma novector /* Work-around for incorrect vectorization */
+#endif
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {
         molt = &mtop->moltype[mtop->molblock[mb].type];
@@ -177,6 +180,7 @@ static void pp_group_load(gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
     nq                = 0;
     nlj               = 0;
     *bChargePerturbed = FALSE;
+    *bTypePerturbed   = FALSE;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {
         molt = &mtop->moltype[mtop->molblock[mb].type];
@@ -291,6 +295,7 @@ static void pp_verlet_load(gmx_mtop_t *mtop, t_inputrec *ir, matrix box,
     nqlj              = 0;
     nq                = 0;
     *bChargePerturbed = FALSE;
+    *bTypePerturbed   = FALSE;
     for (mb = 0; mb < mtop->nmolblock; mb++)
     {
         molt = &mtop->moltype[mtop->molblock[mb].type];