[DFTB-Plus-User] DFTB+ 19.1 memory leakage

[Bálint Aradi]

Dear Paul,

I am really wondering where the memory leak comes from. We eliminated
all allocated pointers in the main part of the code long ago to avoid
memory leaks.

* Could you eventually try to compile a non-mpi DFTB+ without any
extensions (e.g. no ELSI/ELPA) and try your system with it? Does it
still show memory leaks? Or alternatively, could you try it with the
binary from the website?

* If the official non-mpi binary also shows this behaviour, could you
then send me (off-list) your geometry, so that I can try to reprocude
the case myself?

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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