Give bTypePerturbed a valid initial value

Commit a6ae71b202 didn't do this correctly, so FEP with LJPME has had
broken PME load estimates (only).

Change-Id: I88235c34b499e6dfca650138d66cdc17bd40afb4

diff --git a/src/gromacs/mdlib/perf_est.c b/src/gromacs/mdlib/perf_est.c
index c7382ab1ed14b969f5991a956eb87c51bfdc32ec..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.
@@ -180,6 +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];
@@ -294,6 +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];