[DFTB-Plus-User] large-scale calculations_output overflow records and "cannot allocate memory error message"

[Bálint Aradi]

> Is this builder of DFTB+ ( without ELSI sovers) as perform as which uses
> the ELSI ?

The ELSI solver is known to perform  better for large systems than the
standard ScaLAPACK solver (or even as Intel MKL).

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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