[gmx-users] How to suppress the screen info & how to overwrite files?

Da-Wei Li lidawei at gmail.com
Fri Aug 12 20:05:08 CEST 2011


It is possible that the terminal that used to run gromacs does not have
GMX_MAXBACKUP set up.  if you use some queue software, put "export
GMX_MAXBACKUP=0" in the submitting script or even put it into your .bashrc
file.

On Fri, Aug 12, 2011 at 1:53 PM, Hiroshi Fujisaki <fujisaki at nms.ac.jp>wrote:

> Dear Justin,
>
> Thanks for your prompt reply and help.
> I understood about the first item, but even if I type
> export GMX_MAXBACKUP=0 (bash)
> it does not seem to work. What is the recommended
> procedure? Is there any problem with revision?
>
> I appreciate your help.
>
> Best wishes,
>
> > Hiroshi Fujisaki wrote:
> > > Dear gromacs users,
> > >
> > > I am using gromacs 4.0.7 or higher and I would like to
> > > ask you two simple questions.
> > >
> > > For a certain purpose, I use gromacs (grompp or mdrun)
> > > many times, and  the same information appear on the
> > > screen, which might make the computational process slow.
> > > How can I suppress such information on the screen?
> > >
> >
> > Use the -quiet option or redirect all screen output with &>/dev/null.
> >
> > > The other question is, when using gromacs many times,
> > > it writes many backup files with "sharp", which would be
> > > messy or make the process slow. How can I overwrite files
> > > in gromacs?
> > >
> >
> > Try setting the environment variable GMX_MAXBACKUP to zero.
> >
> > -Justin
> >
> > --
> > ========================================
> >
> > Justin A. Lemkul
> > Ph.D. Candidate
> > ICTAS Doctoral Scholar
> > MILES-IGERT Trainee
> > 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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> --
> Hiroshi Fujisaki <fujisaki at nms.ac.jp>
> Department of Physics
> Nippon Medical School
> 2-297-2 Kosugi-cho, Nakahara, Kawasaki,
> Kanagawa 211-0063, Japan
> Tel: +81-44-733-3496
> Fax: +81-44-722-1231
>
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