[Pw_forum] submits jobs to node already in use

[Jonas Baltrusaitis]

Axel, I mentioned PBS so qsub was implied. 

Machinefile is where it's supposed to be mpiexec -n 4 -machinefile $PBS_NODEFILE

So I am not sure what's happening, if I submit say cpmd job it just goes to a different node, whereas pwscf to the same which already has a job running

If I submit another pwscf with a simple script, not the one I adopted from Examples 2 and 9, it submits it to an independent node. It must be within my script, I guess Rocks forum was right after all. I'll have to look through it carefully

Jonas


--- On Tue, 5/5/09, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> wrote:

> From: Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>
> Subject: Re: [Pw_forum] submits jobs to node already in use
> To: jasius_1 at yahoo.com, "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Tuesday, May 5, 2009, 8:29 PM
> On Tue, 2009-05-05 at 17:30 -0700, Jonas Baltrusaitis wrote:
> > Funny story, if I submit any job with mpiexec -n 4
> -machinefile
> 
> where is the machinefile??
> 
> >  /../pw.x -rmpool 0 -nodes 1 -procs 4 via PBS to a 4
> core processor I
> 
> this must be a specialty of how your machine is set up. if
> you submit
> to a PBS queue, you don't use mpiexec, but rather use
> qsub.
> mpiexec (or mpirun) is being called from within the job
> script
> that you submit to qsub.
> 
> >  can't see the exact number of cores running, e.g.
> with qstat -n I see
> >  only    compute-0-1/0, instead of usual
> compute-0-1/0, compute-0-1/1,
> >  compute-0-1/2, compute-0-1/4.
> 
> again. this has nothing at all to do with Q-E. there is no
> code in
> Q-E that knows anything about any batch system (and it
> should not).
> 
> > It gets even worse if I want to submit any other pwscf
> job to my 16
> >  node cluster. It get's submitted to exactly the
> same node, e.g. I run
> >  8 processes on a 4 core node and obviously no
> performance
> > 
> > I inquired at Rocks forum, they claim it must be
> related with how Q-E
> >  submits jobs. Has anybody seen that before?
> 
> that is wrong advice. 
> 
> cheers,
>    axel.
> 
> 
> > 
> > Jonas Baltrusaitis
> > University of Iowa
> > 
> > 
> > 
> >       
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> 
> -- 
> =======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu  
> http://www.cmm.upenn.edu
>    Center for Molecular Modeling   --   University of
> Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia,
> PA 19104-6323
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