[gmx-users] mdrun -v output

Chandan Choudhury iitdckc at gmail.com
Tue Jun 19 05:00:14 CEST 2012


Thanks Peter for the clarification.

Chandan

--
Chandan kumar Choudhury
NCL, Pune
INDIA


On Tue, Jun 19, 2012 at 2:27 AM, Peter C. Lai <pcl at uab.edu> wrote:

> It actually depends on your shell/environment :-P
>
> On sun grid engine and derivatives, the you can have the scheduler capture
> the stdout and stderr output through the -o and -e parameters,
> respectively.
>
> On 2012-06-18 05:28:11PM +0530, Chandan Choudhury wrote:
> > On Mon, Jun 18, 2012 at 12:43 PM, Javier Cerezo <jcb1 at um.es> wrote:
> >
> > >  Information messages, such as those shown on the screen during mdrun
> are
> > > output to stderr. So if you want to get them you should redirect as
> follows:
> > >
> > > mdrun -v -s md.tpr 2> verbose.txt
> > >
> > > In the case where you may need to get all output (from both stdout and
> > > stderr) you should use:
> > >
> > > mdrun -v -s md.tpr &> verbose.txt
> > >
> >
> > Thanks. It is actually  mdrun -v -s md.tpr >& verbose.txt
> >
> > >
> > > Javier
> > >
> > > El 18/06/12 08:49, Chandan Choudhury escribió:
> > >
> > >
> > > Dear gmx users,
> > >
> > > Is it possible to redirect the output of mdrun -v to a file while
> > > submitting the job using pbs script?
> > >  mdrun -v -s md.tpr > verbose.txt
> > > donot produce output (to file verbose.txt) while the job is running.
> > >
> > > Chandan
> > >
> > > --
> > > Chandan kumar Choudhury
> > > NCL, Pune
> > > INDIA
> > >
> > >
> > >
> > > --
> > > Javier CEREZO BASTIDA
> > > PhD Student
> > > Physical Chemistry
> > > Universidad de Murcia
> > > Murcia (Spain)
> > > Tel: (+34)868887434
> > >
> > > --
> > > gmx-users mailing list    gmx-users at gromacs.org
> > > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > > Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > > Please don't post (un)subscribe requests to the list. Use the
> > > www interface or send it to gmx-users-request at gromacs.org.
> > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
>
> > --
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
>
> --
> ==================================================================
> Peter C. Lai                    | University of Alabama-Birmingham
> Programmer/Analyst              | KAUL 752A
> Genetics, Div. of Research      | 705 South 20th Street
> pcl at uab.edu                     | Birmingham AL 35294-4461
> (205) 690-0808                  |
> ==================================================================
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120619/0e04e590/attachment.html>


More information about the gromacs.org_gmx-users mailing list