[Wien] segmentation fault error for beta-cristobalite

[Torsten Andersen]

Dear Mr. Abrahamson,

if you have ensured that the shell limits are removed, try add some swap 
space - you might be running out of memory. Does it work with 1 (one) 
k-point?

Best regards,
Torsten Andersen.

Joel Abrahamson wrote:
> Dear WIEN users,
> I am trying to model beta-cristobalite (SiO2), but the
> SCF cycle keeps crashing in LAPW0. The dayfile looks
> like this:
> 
> start       (Thu Jul  1 22:31:14 CDT 2004) with lapw0
> (20/20 to go)
> 
>>  lapw0       (22:31:14) Segmentation fault
> 
> 7.3u 0.1s 0:07.74 96.7% 0+0k 0+0io 285pf+0w
> 
> 
>>  stop error
> 
> 
> Oddly enough, I was able to model alpha-quartz SiO2
> without ever encountering this error. Models of TiC,
> fcc Ni, and Al2O3 also worked fine.
> When I tried to run calculations for HfO2 and Ta2O5, I
> got a similar looking dayfile, except the segmentation
> fault was in LAPW2.
> Does anyone have ideas about what might be behind
> this?
> 
> Here are my system specs:
> AMD Athlon processor 2.5 GHz
> 512 MB memory
> Debian Linux
> IFC 90 compiled LAPACK
> 
> My struct file for cristobalite is attached.
> Sincerely,
> 
> =====
> Joel Abrahamson
> Advanced Materials Research Laboratory
> University of Illinois-Chicago
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/