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Fix small leak in forcerec
author
Kevin Boyd
<kevin.boyd@uconn.edu>
Wed, 19 Dec 2018 02:08:00 +0000
(21:08 -0500)
committer
Berk Hess
<hess@kth.se>
Fri, 21 Dec 2018 14:27:02 +0000
(15:27 +0100)
Change-Id: I09890bffdd88eaa5d691bd3584735787e2c626ad
src/gromacs/mdlib/forcerec.cpp
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diff --git
a/src/gromacs/mdlib/forcerec.cpp
b/src/gromacs/mdlib/forcerec.cpp
index 0c9cefce72cbefea53e08f11668621bacf178185..6ad3940728610c6721371311ab322daea376708f 100644
(file)
--- a/
src/gromacs/mdlib/forcerec.cpp
+++ b/
src/gromacs/mdlib/forcerec.cpp
@@
-3159,6
+3159,11
@@
void done_forcerec(t_forcerec *fr, int numMolBlocks, int numEnergyGroups)
// PME-only ranks don't have a forcerec
return;
}
+ // cginfo is dynamically allocated if no domain decomposition
+ if (fr->cginfo != nullptr)
+ {
+ sfree(fr->cginfo);
+ }
done_cginfo_mb(fr->cginfo_mb, numMolBlocks);
sfree(fr->nbfp);
done_interaction_const(fr->ic);