[DFTB-Plus-User] DFTB+ 20.1 memory leakage

[Bálint Aradi]

Dear Jian,

I'd like to investigate this issue more in detail. Would it be possible
that you

- try to reduce the size of your system in order to find the smallest
system reproducing the memory issue

- send me a self-containing input of this smallest system, so that I can
test it. Either create an issue on GitHub and upload the input files
there, or send me them directly (aradi at uni-bremen.de) if you don't want
to expose them to the public. (Also let me know, which compiler, MPI,
libraries etc. you were using.)

I'd then check it with all the compiler/MPI-framework combinations we
use for the regular testing. However, it would be crucial that the
system to investigate is as small a possible.

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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