From 01e512cc2e9b34a4bbcc594f6a4924742dfadff5 Mon Sep 17 00:00:00 2001
From: Kevin Boyd <kevin.boyd@uconn.edu>
Date: Tue, 1 Jan 2019 20:22:59 -0500
Subject: [PATCH] Free topology in non-DD simulations

Followup to commit 0926c8a6

Without DD, a number of fields in the localtop are dynamically
allocated and not freed, but functionality existed to free them
that hadn't been called.

Change-Id: I82b8d08234722dfd8d8d3f948512458ee105c5ad
---
 src/gromacs/mdrun/md.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/gromacs/mdrun/md.cpp b/src/gromacs/mdrun/md.cpp
index 7da1d2e46b..1d8eef6d60 100644
--- a/src/gromacs/mdrun/md.cpp
+++ b/src/gromacs/mdrun/md.cpp
@@ -1533,7 +1533,7 @@ void gmx::Integrator::do_md()
     /* Clean up topology. top->atomtypes has an allocated pointer if no domain decomposition*/
     if (!DOMAINDECOMP(cr))
     {
-        done_atomtypes(&top->atomtypes);
+        done_localtop(top);
     }
     sfree(top);
 }
-- 
2.11.4.GIT