[gmx-users] General Questions abdout gromacs

[Viswanadham Sridhara]

Or if you are connected to some cluster(running on different machine),
mpirun command should work.
Otherwise nohup mdrun -s -f -o.... & should work.

On 11/21/05, David Mobley <dmobley at gmail.com> wrote:
>
> I don't think & leaves processes running if you log off; it just runs them
> in the background.
>
> Maybe try "nohup mdrun (usual options) &".
>
>
>
> On 11/21/05, Sven Huttenhouse <mdsimulation at hotmail.com> wrote:
> >
> >
> > Thank you Dr. Erik
> >
> > I used the following command:
> > mdrun -nive 0 -v -s ............ ener.edr &
> > and then I closed the x window I used and re opened it again. I tried to
> > see
> > what programs are running in the cluster using top but I didn't find the
> >
> > mdrun running.
> >
> > did I used the right command? should there be a space between ".edr" and
> > "&"?
> > any suggestion??
> >
> >
> > kind regards
> > Sven
> >
> > >From: Erik Lindahl < lindahl at sbc.su.se>
> > >Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> > >To: Discussion list for GROMACS users < gmx-users at gromacs.org>
> > >Subject: Re: [gmx-users] General Questions abdout gromacs
> > >Date: Mon, 21 Nov 2005 19:33:44 +0100
> > >
> > >Hi Sven,
> > >
> > >On Nov 21, 2005, at 6:11 PM, Sven Huttenhouse wrote:
> > >
> > >>
> > >>Thank you all for replying
> > >>
> > >>What is the command that I have to use to run the mdrun in the
> > backgroun?
> > >
> > >Personally, I like the free program "GNU screen" that you can compile
> > if
> > >it isn't already installed. This gives you access to multiple virtual
> > >terminals that can be detached and later reattached to see the output.
> > >
> > >Alternatively you can just use "&" at the end of a command to run it in
> >
> > >the background.
> > >
> > >>where can I learn (read more) about LINCS or SHAKE??
> > >>
> > >
> > >See the manual. Gromacs constraints use LINCS by default.
> > >
> > >Cheers,
> > >
> > >Erik
> > >
> > >-----------------------------------------------------------
> > >Erik Lindahl <lindahl at sbc.su.se>
> > >Assistant Professor, Stockholm Bioinformatics Center
> > >Stockholm University, SE 106 91 Stockholm
> > >Phone: +46 8 5537 8564 Fax: +46 8 5537 8214
> > >
> > >
> > >
> > >
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--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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