[QE-users] dynmat not parallelized?

[Paolo Giannozzi]

On Tue, Oct 30, 2018 at 3:42 PM JAY Antoine <Antoine.JAY at isae-supaero.fr>
wrote:

Dear all,
> I need to compute the ASR on systems with 1000 frequencies.
> My first try takes 2 days.
> Does the dynmat program has a parallel version?
>

no

Is it relevant to use a parallel version?
>

with "simple" ASR, a parallel version should never be useful, not even for
1000 frequencies: the diagonalization of a 1000x1000 matrix is feasible in
a few seconds. More sophisticated ASR may take a lot of time, though.

Paolo


> Thanks,
>
> Antoine Jay
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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