Re: [AMBER] running of the sander in background in parallel state

From: Brian Radak <radak004.umn.edu>
Date: Mon, 28 Nov 2011 17:26:21 -0500

Another way (maybe equivalent to nohup?) is to put the "wait" command at
the end of the script.

On Mon, Nov 28, 2011 at 1:16 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Leila,
>
> Try:
>
> nohup mpirun -np 2 $AMBERHOME/exe/sander.MPI -ng 2 -groupfile
> model_step1.group </dev/null &
>
> A lot of mpi implementations require you to redirect standard in from dev
> null when running in the background. You also need the nohup in the front
> so
> the job doesn't quit when you close the shell.
>
> All the best
> Ross
>
> > -----Original Message-----
> > From: leila karami [mailto:karami.leila1.gmail.com]
> > Sent: Sunday, November 27, 2011 3:30 AM
> > To: amber
> > Subject: [AMBER] running of the sander in background in parallel state
> >
> > Dear amber users
> >
> > I study TUTORIAL A6.
> >
> > I want to do section of [mpirun -np 2 $AMBERHOME/exe/sander.MPI -ng 2
> > -groupfile model_step1.group] in background.
> >
> >
> > I know, in serial state of amber,
> >
> > The ampersand will background the job. for example
> >
> > $AMBERHOME/exe/sander -O -i min.in -o min_protein.out -p
> > protein.prmtop -c protein.inpcrd -r protein_min.crd &
> >
> > I did 2 states:
> >
> > 1) mpirun -np 2 $AMBERHOME/exe/sander.MPI -ng 2 -groupfile
> > model_step1.group &
> >
> > 2) in model_step1.group file, I put & in the end
> >
> > unfortunately, none of them were not true.
> >
> > please guide me about that.
> >
> > best regards.
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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>



-- 
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 Brian Radak                                             :     BioMaPS
Institute for Quantitative Biology
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Received on Mon Nov 28 2011 - 14:30:03 PST
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