[QE-users] parallel nd phonon diagonalization?

Paolo Giannozzi p.giannozzi at gmail.com
Fri Sep 24 22:26:46 CEST 2021


I think -nd is used only for the initial calculation of the needed
Kohn-Sham \psi_{k+q} states. There is little dense-matrix linear algebra in
the phonon code.

Paolo

On Fri, Sep 24, 2021 at 8:26 PM Ronald Cohen <rcohen at carnegiescience.edu>
wrote:

> It is not obvious to me if -nd parallelization works with dfpt in ph.x. Is
> ELPA used? What is the best parallelization strategy for effective charges
> in large systems? phonons? Thanks for any advice.
>
> Sincerely,
>
> Ron
>
> ---
> Ronald Cohen
> Extreme Materials Initiative
> Carnegie Institution for Science
> 5251 Broad Branch Rd., N.W.
> Washington, D.C. 20015
> rcohen at carnegiescience.edu
> office: 202-478-8937
> skype: ronaldcohen
> twitter: @recohen3
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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