[Pw_forum] Re: Pw_forum digest, Vol 1 #398 - 1 msg

eleonora spano eleonora.spano at mater.unimib.it
Fri Sep 24 09:34:18 CEST 2004


Dear Antonio, 

yes it is possible. 
>From my personal experience, and also because I checked inside the code,
in order to get results for the el-ph. calculation you have to perform 
the phonon calculation in one single run.  Each time you restart a
phonon calculation the   G.dVscf*  is re-written. The only possibility 
for you to get results, if you run the job with the time limit (6h
Cineca), is to modify the code.

Regards,

Eleonora

On Fri, 2004-09-24 at 07:36, pw_forum-request at pwscf.org wrote:
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> Today's Topics:
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>    1. Re: error reading fildvscf (Antonio Sanna)
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> --__--__--
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> Message: 1
> Subject: Re: [Pw_forum] error reading fildvscf
> From: Antonio Sanna <asanna at did.dsf.unica.it>
> To: pw_forum at pwscf.org
> Date: 23 Sep 2004 10:20:17 +0200
> Reply-To: pw_forum at pwscf.org
> 
> On Mon, 2004-09-20 at 11:45, Paolo Giannozzi wrote:
> > On Wednesday 15 September 2004 13:17, Antonio Sanna wrote:
> > 
> > > I'm trying to calculate electron-phonon coupling, but after saved the
> > > dynamical matrix and the first order variation of the potentials (no
> > > errors received), when I launch the electron-phonon calculation (elph =
> > > .true.) in some cases I obtain this error message:
> > 
> > "some cases" =  "some specific case, reproducibly", or "randomly" ?
> > 
> > > Someone knows what I'm doing wrong?
> > 
> > first of all, check if enough disk space is available
> > 
> > Paolo
> > -- 
> > Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
> > Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
> > Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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> 
> I launch my jobs from the scratch directory of sp4 at CINECA, so there
> is a lot of available space. Nevertheless, comparing the 'filedvscf'
> that gives this error with that obtained in my PC, it seems that is
> truncated. 
> It's possible that the error appears because I recovered these jobs
> sopped by the time limit (at sp4 I use the parallel script with a
> wall_clock_limit of 6 hours)? 
> Thank you 
> Antonio 
> 
> 
>    
> 
> 
> 
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> End of Pw_forum Digest
-- 
Eleonora Spano, PhD
Universita' di MIlano Bicocca
via Cozzi, 53
22153 Milano





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