[Pw_forum] << running QE in parallel >>

[Gabriele Sclauzero]

I. Camps wrote:
> Dear Gabriele,
> 
> I just follow the steps in the README:
> 1-) Went to the example folder
> 2-) ./run_example


You may need to modify the environment_variables file in the examples/ directory before 
step 2. This file is sourced (i.e. read and interpreted) at the beginning of all 
example??/run_example scripts and this sets some environment variables. To understand if 
the variables have been set correctly just place something like
echo "$PARA_PREFIX pw.x $PARA_POSTFIX"
at the beginning of run_example (after environment_variables file has been sourced) and 
you will see.

HTH

GS
> 
> 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 
> <mailto: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
>     <http://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 <mailto:sclauzer at sissa.it>              
>               |
>     | phone: +39 040 3787 511                          |
>     | skype: gurlonotturno                             |
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-- 


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