[Pw_forum] << running QE in parallel >>

I. Camps i_camps at yahoo.com.br
Mon Aug 31 13:59:30 CEST 2009


Dear Gabriele,

I just follow the steps in the README:
1-) Went to the example folder
2-) ./run_example

Doing this, the example script run but in serial mode.

When I run the input files directly from the prompt using the same command
in the script (i.e. using the environment_variables), I went to parallel
mode.

So, I am afraid that the problem is how my bash interpreter "understand" the
commands in the script. I am running Ubuntu 9.04 64bits up-dated.

Regards,

Camps
___
Jonathan Swift<http://www.brainyquote.com/quotes/authors/j/jonathan_swift.html>
- "May you live every day of your life."

On Mon, Aug 31, 2009 at 4:16 AM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>
> I. Camps wrote:
> > SOLVED!
>
> And so, where is the problem exactly? I've often used the example scripts
> in parallel by
> setting the environment variables in environment_variables file and I could
> always run
> without any problem.
>
> >
> > The problem is the script run_example.
>
> Please, try to idenfity where the problem is (if any)? I think that the
> scripts usually
> work fine. It is not clear to me the procedure you followed to run the
> script the first
> time (when you could not run with more processes).
>
>
> Regards,
>
> Gabriele
>
> > If I run the input file directly from the prompt using
> >
> > $PARA_PREFIX pw.x $PARA_POSTFIX < al001.rx.in > al001.rx.out
> >
> > I get the following output:
> >
> > ***************************
> >      Program PWSCF     v.4.1    starts ...
> >      Today is 28Aug2009 at 12:34:42
> >
> >      Parallel version (MPI)
> >
> >      Number of processors in use:       4
> >      R & G space division:  proc/pool =    4
> >
>
>
> --
>
>
> o ------------------------------------------------ o
> | Gabriele Sclauzero, PhD Student                  |
> | c/o:   SISSA & CNR-INFM Democritos,              |
> |        via Beirut 2-4, 34014 Trieste (Italy)     |
> | email: sclauzer at sissa.it                         |
> | phone: +39 040 3787 511                          |
> | skype: gurlonotturno                             |
> o ------------------------------------------------ o
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