Fix small leaks in do_md cleanup

Change-Id: Ia9a8597e07ab0c45320bfc1d036a99d93d6443d9

diff --git a/src/gromacs/mdlib/mdebin.cpp b/src/gromacs/mdlib/mdebin.cpp
index cc3b26b5e0e367d52e8d352509a0990e1fec00b4..3ff4978346434052a89ea11589679d2eedc1daf2 100644 (file)
--- a/src/gromacs/mdlib/mdebin.cpp
+++ b/src/gromacs/mdlib/mdebin.cpp
@@ -621,6 +621,7 @@ void done_mdebin(t_mdebin *mdebin)
     done_mde_delta_h_coll(mdebin->dhc);
     sfree(mdebin->dE);
     sfree(mdebin->temperatures);
+    sfree(mdebin->ebin);
     sfree(mdebin);
 }
 

diff --git a/src/gromacs/mdlib/mdoutf.cpp b/src/gromacs/mdlib/mdoutf.cpp
index 6ecf24a2e260208fc36ca046738dc693d346eaeb..e706c35ae9fa03505f6228266a012f88e53a1f86 100644 (file)
--- a/src/gromacs/mdlib/mdoutf.cpp
+++ b/src/gromacs/mdlib/mdoutf.cpp
@@ -446,7 +446,7 @@ void done_mdoutf(gmx_mdoutf_t of)
 {
     if (of->fp_ene != nullptr)
     {
-        close_enx(of->fp_ene);
+        done_ener_file(of->fp_ene);
     }
     if (of->fp_xtc)
     {