[Pw_forum] PW is frozen

[TRINITE Virginie]

Thanks for your reply. I will try the new version of espresso.
But I did not use k parallelization. I use default parallelization (which is with npool=1, if I remember correctly).

Best Regards

Virginie Trinité

-----Message d'origine-----
De : pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] De la part de Paolo Giannozzi
Envoyé : mardi 2 avril 2013 21:44
À : PWSCF Forum
Objet : Re: [Pw_forum] PW is frozen

On Fri, 2013-03-29 at 10:38 +0100, TRINITE Virginie wrote:

> I find a very strange behavior of pw.x: It run endlessly without 
> output anything and with no error, and I have  finally to kill it
> 
> This behavior appears by using 6 processors for Iron calculation

your input works for me on 6 processors (more exactly, 6 processes on 2 processors), with slightly different pseudopotentials. V.5.0 may run into strange problems on some machines with k-point parallelization (details in the Doc/release-notes file).
If this is not your case, it is hard to say what the problem can be without the possibility to make a few tests and to see what is really happening and under which exact conditions. Apart from trying a more recent version, you might consider a poor-man (or poor-woman) debugging by inserting print statements in the main program until you figure out where it hangs

Paolo
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222