[gmx-users] mdrun generate a lot of files with #

[Justin Lemkul]

On 5/23/13 12:53 PM, mu xiaojia wrote:
> Dear users,
>
> I have used gromacs a while, however, sometime, when I run it on
> supercomputer-clusters, I saw mdrun will generate a lot of files with "#",
> which occupied a lot of space, does anyone know why and how to avoid it?
>
> Thanks
>
> example, my command"mdrun_mpi -s -deffnm job -cpi -append"
>
> then besides ordinary md result files,  it will also generate things like:
>
> #job.xtc.1#   #job.xvg.1#  job
>

These are backups of previous runs that have been issued with the same command. 
  All Gromacs commands have this behavior - rather than overwriting your files, 
it backs them up.  Either clean up your directories prior to issuing your 
commands, or use unique file names or directories.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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