[DFTB-Plus-User] MODES (normal modes tool): probable bug for big enough system

[Bálint Aradi]

On 12/14/2012 08:16 PM, Ol Ga wrote:
> Dear DFTB+ Users and Developers,
> 
> 
> Once more question related to MODES (normal modes tool).
> I tried to calculate vibrational frequencies with this tool. However,
> the program (both precompiled binaries or compiled by
> composer_xe_2011_sp1.7.256)  aborted every time when I tried to carry
> out calculations with 800 and more atomic systems. For small systems -
> no problem, but for systems of my current interest I observed only
> "segmenation fault" message.
> 
> I would kindly ask you to suggest me how to overcome such a problem.
> 
> 
> Thank you in advance.

Set the stack size to unlimited in your shell. E.g.

 ulimit -s unlimited

in BASH:

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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