Move functionality to mdrunutility
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 9 May 2019 21:05:55 +0000 (23:05 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 22 May 2019 09:33:52 +0000 (11:33 +0200)
commit9e488c944045bd35b1136667f4689aaa01a7e9c3
tree733752024887315a86997b76f788b37cc247269b
parentcd837967ed8296ac53895367e6f8e3f82ec4cceb
Move functionality to mdrunutility

This lower-level module needs to acquire more content from mdrun as we
evolve a more levelised design. This change premptively resolves
several cycles that would be introduced by consolidating restarting
handling into mdrunutility/handlerestart.cpp.

Moved multi-sim related bools to its header, rather than commrec.h.
Several functions did not need to be inlined, as they were only
used during set up and tear down.

Made a few routines in even lower-level modules be passed the
boolean parameter computed from cr and ms, rather than being
passed it themselves.

Change-Id: I4a1721eaf7cbe08155110782a6680785091504db
29 files changed:
src/api/cpp/context.cpp
src/api/cpp/createsession.h
src/api/cpp/session.cpp
src/api/cpp/session_impl.h
src/gromacs/awh/awh.cpp
src/gromacs/hardware/printhardware.cpp
src/gromacs/hardware/printhardware.h
src/gromacs/imd/imd.cpp
src/gromacs/listed_forces/orires.cpp
src/gromacs/mdlib/lincs.cpp
src/gromacs/mdlib/simulationsignal.cpp
src/gromacs/mdrun/CMakeLists.txt
src/gromacs/mdrun/legacymdrunoptions.cpp
src/gromacs/mdrun/legacymdrunoptions.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/replicaexchange.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrunutility/CMakeLists.txt
src/gromacs/mdrunutility/handlerestart.cpp
src/gromacs/mdrunutility/logging.cpp [moved from src/gromacs/mdrun/logging.cpp with 97% similarity]
src/gromacs/mdrunutility/logging.h [moved from src/gromacs/mdrun/logging.h with 93% similarity]
src/gromacs/mdrunutility/multisim.cpp [moved from src/gromacs/mdrun/multisim.cpp with 94% similarity]
src/gromacs/mdrunutility/multisim.h [moved from src/gromacs/mdrun/multisim.h with 77% similarity]
src/gromacs/mdtypes/commrec.h
src/gromacs/taskassignment/resourcedivision.cpp
src/gromacs/taskassignment/taskassignment.cpp
src/programs/mdrun/mdrun.cpp