[DFTB-Plus-User] DFTB+ installation

Bernard Ramos ramosbernard81 at yahoo.com
Wed Aug 14 16:35:50 CEST 2019

 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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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