[DFTB-Plus-User] waveplot - memory corruption

[Bálint Aradi]

On 10/08/2012 10:57 AM, R.Perez Garcia wrote:
> No, I am afraid modifying the NrOfCachedGrids does not work for me.
> I tried from 1 to 20 in both machines. In teh cluster until 8 it is
> "aborted" after the box conversion into Bohrs (thank you Dr. Nénon) and
> for the rest te error still "memory corruption"...
> Thank you for your kind help.

 Hm, probably waveplot has somewhere still an error with pointer
allocation inside. I'll try to debug it this week. Could you eventually
send me directly the following:

 Your complete DFTB+ input (including SK files) and your complete
waveplot input (including the basis definitions), so that I can try to
reproduce it.

 Thanks in advance.

  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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