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

[Mark Abraham]

Or take your backup life into your own hands and set the environment
variable GMX_MAXBACKUP=-1

Mark


On Thu, May 23, 2013 at 7:04 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
> --
> ==============================**==========
>
> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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