Fix PME data destructor not being called
commit7b9130773aa43ded17bdbac9b26e6574322db190
authorAleksei Iupinov <a.yupinov@gmail.com>
Fri, 15 Apr 2016 14:34:12 +0000 (15 16:34 +0200)
committerDavid van der Spoel <davidvanderspoel@gmail.com>
Sat, 10 Sep 2016 08:53:02 +0000 (10 10:53 +0200)
tree06b2d0904052f4f1b2c7fb2c75fce8ddb4348909
parent4d13af7b2c27880e9fc6b6ac2e763134bb789745
Fix PME data destructor not being called

The existing function gmx_pme_destroy is now being called at MD run end.
Erroneous memory freeing has been fixed.
Added freeing of pme_atomcomm_t.

Change-Id: I8761d2dbc168ec9d4e0e042fec788e39fb3e3ae5
src/gromacs/ewald/pme-grid.cpp
src/gromacs/ewald/pme-solve.cpp
src/gromacs/ewald/pme.cpp
src/gromacs/ewald/pme.h
src/programs/mdrun/runner.cpp