[DFTB-Plus-User] DFTB+ installation

[Bernard Ramos]

 Thank you, Sir.
    On Tuesday, August 13, 2019, 03:34:18 PM GMT+8, Bálint Aradi <aradi at uni-bremen.de> wrote:  
 
 On 12.08.19 22:00, Bernard Ramos via DFTB-Plus-User wrote:
> I have a related question though. How do I configure DFTB+ to use OpenBlas?

By specifying -lopenblas for the LIB_LAPACK variable.

Anyway, I'd recommend you to use the binary from the web-site whenever
possible. That is linked against an even faster LAPACK/BLAS
implementation, so you you should get better performance than with OpenBlas.

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/

_______________________________________________
DFTB-Plus-User mailing list
DFTB-Plus-User at mailman.zfn.uni-bremen.de
https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190814/a63bc1cd/attachment.html>