Free more memory in grompp and mdrun
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 11 Mar 2018 18:11:31 +0000 (19:11 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 28 Mar 2018 11:49:28 +0000 (13:49 +0200)
commit280ba5a36f6b2ff3eea5072565114040a42424a7
tree347bb504e589f8b656a2d8cbe7018f25b2472d59
parent8dd3c9ae88004054b3b112c23f747d27a19d8d29
Free more memory in grompp and mdrun

This will be increasingly useful as we start adding more GoogleTest
cases that call grompp and mdrun repeatedly.

Refs #1793, #1868

Change-Id: Ic0faaa4c3dec2891d0cdc6166561f8ccd4391f44
21 files changed:
src/gromacs/gmxpreprocess/grompp-impl.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/toputil.cpp
src/gromacs/gmxpreprocess/toputil.h
src/gromacs/listed-forces/manage-threading.cpp
src/gromacs/listed-forces/manage-threading.h
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdlib/mdatoms.cpp
src/gromacs/mdlib/mdatoms.h
src/gromacs/mdlib/mdebin.cpp
src/gromacs/mdlib/mdebin.h
src/gromacs/mdlib/mdebin_bar.cpp
src/gromacs/mdlib/mdebin_bar.h
src/gromacs/mdlib/mdsetup.cpp
src/gromacs/mdlib/mdsetup.h
src/gromacs/mdlib/ns.cpp
src/gromacs/mdlib/ns.h
src/gromacs/mdlib/nsgrid.cpp
src/programs/mdrun/md.cpp
src/programs/mdrun/runner.cpp