[Pw_forum] Error in phonon calculation

Eyvaz Isaev eyvaz_isaev at yahoo.com
Thu Nov 18 15:47:18 CET 2010


Well, 

Then most likely, a compiler error. If I remember correctly, recently similar 
error with IOTK and the last Intel Compiler was posted. Try earlier version of 
IFC, gfortran, or g95 . 


I did not suggest that the convergence criteria might cause the error, I just 
noticed "it is VERY high".

Bests,
Eyvaz.




________________________________
From: Ali Tavana <tavana.ali at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Thu, November 18, 2010 3:13:27 PM
Subject: Re: [Pw_forum] Error in phonon calculation


Dear Prof. Isaev,

Thank you very much for your response. I tried what you suggested but it didn't 
solve my problem.

- I use ifort (actually Intel Parallel Studio xe) on a core i7 processor (no 
networking)
- Strong convergence criteria is because of the convergency tests . No 
correlation have been seen between it's value and the occurring error ;)

The error still exists...

sincerely yours,
Ali

-- 
Ali Tavana
PhD Candidate,
Magnet Research Lab. (MRL)
Sharif University of Technology,
Tehran, Iran.
Tel: +98 21 6616 4544
Fax:+98 21 4446 0799



      
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