[Pw_forum] ph.x taking a lot of time to run!

[Elie Moujaes]

Thanks very much for the reply. It kind of made me relax. I knew that 8 points are not enough but I just wanted to check if I do get results or not after of course running q2r.x and matdyn.x later.

 

 

Thank you again

 

Elie
 
> Date: Tue, 6 Apr 2010 12:45:17 +0800
> From: ouuing at gmail.com
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] ph.x taking a lot of time to run!
> 
> Generally, the dynamics calculation will cost a long time. so you need
> much better claculation source. I think 8 points perhaps are not
> enough. nq1=4,nq2=4,na3=4, perhaps more is better.
> 
> best regards.
> 
> On Tue, Apr 6, 2010 at 2:10 AM, Elie Moujaes <elie.moujaes at hotmail.co.uk> wrote:
> > Dear PWSCF users,
> >
> > Hope you all had a happy Easter. I am running the ph.x code for graphene(and
> > Thankfully no errors are encountered). it is just that it IS taking a really
> > long time to produce the dynamical matrices on the q grid I specified which
> > is:
> >
> > nq1= 2, nq2=2, nq3=2 (a total of 8 points).. It is taking like an our to
> > produce the .dyn files for every q point. I do not think it should require
> > that much time. Is there something I might be missing?
> >
> >
> > Thank you
> >
> > Elie Moujaes
> > University of Nottingham
> > NG7 2RD
> > UK
> >
> > ________________________________
> > Get a new e-mail account with Hotmail - Free. Sign-up now.
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
> >
> 
> 
> 
> -- 
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
> Hanyu Liu(刘寒雨),
> MS.
> State key Laboratory of Superhard Materials, Jilin University, China
> Email: liuhanyu08 at mails.jlu.edu.cn ouuing at gmail.com
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
 		 	   		  
_________________________________________________________________
http://clk.atdmt.com/UKM/go/197222280/direct/01/
We want to hear all your funny, exciting and crazy Hotmail stories. Tell us now
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100406/9eb9701e/attachment.html>