[Pw_forum] problem with parallel ph.x

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Tue Jul 31 15:52:29 CEST 2007


On Tue, 31 Jul 2007, Paolo Giannozzi wrote:

PG> 
PG> On Jul 29, 2007, at 7:43 , Ezad Shojaee wrote:
PG> 
PG> > the input files for scf and phonon calculation are attached
PG> 
PG> this is what I get on a sp5 machine, with the CVS version of
PG> the code: http://www.fisica.uniud.it/~giannozz/public/ph.tar.gz
PG> It is only part of the calculation, but it looks correct to me, or
PG> at least I cannot see the anomalies you get

same here on x86_64 with intel 9.1, and openmpi.

ezad,
since you are using separate diretory for temporary files,
are you sure that you don't accidentally run two jobs with
the same 'prefix'?
also i noticed that the job creates a lot of disk i/o.
i would suggest to check the machine hosting the disk(s)
for i/o errors in the kernel log.

cheers,
   axel.


PG> 
PG> Paolo
PG> ---
PG> Paolo Giannozzi, Democritos and University of Udine, Italy
PG> 
PG> 
PG> _______________________________________________
PG> Pw_forum mailing list
PG> Pw_forum at pwscf.org
PG> http://www.democritos.it/mailman/listinfo/pw_forum
PG> 

-- 
=======================================================================
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
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.




More information about the users mailing list