[DFTB-Plus-User] waveplot - memory corruption

[Bálint Aradi]

Dear Dazhi Tan,

I'd suggest to open an issue on GitHub

https://github.com/dftbplus/dftbplus/

so that you might be able to upload relevant files. The NrOfCachedGrids 
should not really affect memory corruption. It is more likely a problem 
with array boundaries somewhere.

Also, in case you compiled the code yourself, please try it with the 
Conda version as well, as it might be easier for us to reproduce the 
bug, if it also happens with that version.

Best regards,

Bálint



On 24.02.23 14:04, Dazhi Tan wrote:
> Dear DFTB specialists
> 
> I am now conducting some Waveplot calculations. However, when I run 
> waveplot_in.hsd file, there is a problem “memory corruption: 0x09d1cd08 
> ***”.
> I have increased “NrOfCachedGrids”from -1 to 10, but it doesn’t work. 
> Could you please help me solve this problem. Thank you very much.
> 
> Best regards
> 
> Dazhi Tan
> 
> 
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-- 
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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