[Pw_forum] MPI error and wf_collect

[Cyrille Barreteau]

Paolo,

I have attached to my email a file containing the list of the different
files contained in the "outdir" directory (which in my case is tmp)

You will see that *.igk_nproc *.wfc_nproc (nproc=1,2,3...64) files
do exist... together with a lot of others..
These files do not exist in the case of wf_collect=.false.

Let me also add that this test calculation contains 128 k points
and was run on 16 nodes and 64 processors.

  cyrille

-- 
==================================================================
Cyrille Barreteau  | phone : +33 (0)1 69 08 29 51
CEA Saclay         | fax   : +33 (0)1 69 08 84 46
DSM/DRECAM/SPCSI   | email cyrille.barreteau at cea.fr
Batiment 462       |
91191 Gif sur Yvette Cedex  FRANCE
          ~~~~~~~~~~~~~~~~~~~~~~~~
http://www-drecam.cea.fr/spcsi/index.php
http://www-drecam.cea.fr/Images/Pisp/cbarreteau/cbarreteau_fr.html
http://www-drecam.cea.fr/Phocea/Membres/Cours/index.php
================================================================== 



Paolo Giannozzi wrote:

>
> On Jun 1, 2007, at 17:22 , Cyrille Barreteau wrote:
>
>> Moreover I thought that everything should be put in a single file
>> when wf_collect=.true.
>
>
> wf_collect=.true. collects Kohn-Sham orbitals for each k-point
> into a single file, but there is a file per k-point (stored into the
> K*****/ directories). Everything you need is in the .save/ directory.
>
>> In case of wf_collect=.true. I got the following files:
>> *.igk_nproc *.wfc_nproc files
>> and *.save directory which contains  K*****(number of Kpoints)  
>> directories
>
>
> _nproc = _1, _2, _3, ..., or _nproc = _nproc ? I cannot find any place
> in the code where such files are written.
>
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum



-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: tmp_directory.txt
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070605/fdc61e0c/attachment.txt>