[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 44, Issue 3

[Bálint Aradi]

Dear Naga,

> Thank you so much for your reply, We have both libraries (intel and open
> blas open mp), and could you please let me know how can I link them to
> run it on multiple processors. I didn't find any documentation and
> please let me know the details.

You find examples in the sys/make.* architecture dependant makefiles.
Otherwise, I'd strongly recommend you to contact your local system
administrator for help, especially if you plan to go for the
MPI-parallel compilation.

If you want to run an OpenMP-threaded DFTB+, you may also consider to
download the binary from the website. Although this may be not the most
performant options, it may save unexperienced users the trouble of
compilation.

  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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