When writing TNG include file closing in wallcycle.
authorMagnus Lundborg <lundborg.magnus@gmail.com>
Tue, 15 Jul 2014 13:54:49 +0000 (15:54 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 1 Sep 2014 19:07:39 +0000 (21:07 +0200)
commit867084344e764d2a9959895615f0bfa77b751e72
treeebbb6e43ec0657335dde7438ca16058032396831
parent88dc658b890c3a8516463cbd105cbc1c1a8d16f4
When writing TNG include file closing in wallcycle.

If there is an unwritten frame set when closing a TNG file
it will be written to disk. This includes compressing the
data (when writing compressed output), which can take a
significant amount of time if the system is large.
This should be included in the wallcycle count to make it
more fair.

Change-Id: Ida43fe73b8bc1b0c1326e286a4bff647410da45f
src/gromacs/fileio/mdoutf.c
src/gromacs/fileio/mdoutf.h
src/gromacs/fileio/trajectory_writing.c
src/gromacs/fileio/trajectory_writing.h
src/gromacs/legacyheaders/sim_util.h
src/gromacs/mdlib/minimize.c
src/gromacs/mdlib/sim_util.c
src/programs/mdrun/md.c