[DFTB-Plus-User] ARPACK related installation issue..DFTB+-18.1

[siddheshwar chopra]

Dear Sir,
Thanks for this important information. It saved my lot of time.
Sir, I currently have installed lapack, blas etc. from synaptic manager,
but, I feel optimizing them for an efficient running now. Hence I have
downloaded lapack 3.8, scalapack 2.0.2, and OpenBLAS 0.3.0 versions. I am
willing to compile them and optimize them for the system. And then I wish
to link them for dftb+ installation. Is it fine?
My aim is to be able to use the dftb+ code very efficiently.

Any suggestions are welcomed.
Thank you for your time,
Kind Regards,

On Fri 22 Jun, 2018 8:33 pm Bálint Aradi, <aradi at uni-bremen.de> wrote:

> Dear Siddheshwar,
> >
> > Do these lines mean that excited state calcs. are possible ONLY in
> > serial mode? Please help. If thats the case then, excited state
> > optimization would be a tough task perhaps.
>
> Unfortunately, the excited state calculations are indeed not
> MPI-parallelized yet.
>
>   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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