[Pw_forum] ZGEMM or MATMUL for MPI environment
Paolo Giannozzi
p.giannozzi at gmail.com
Wed Aug 31 21:51:52 CEST 2016
If the matrix S is not distributed (and if you have a copy of it on each
processor), MATMUL (evc, S) will be distributed exactly in the same way as
evc
Paol
On Wed, Aug 31, 2016 at 9:16 PM, Ilya Ryabinkin <igryabinkin at gmail.com>
wrote:
> Colleagues:
> I'm wondering what should I use to get the matrix product evc*S, where
> evc = evc(npw, nbnd)
> is a collection of MOs and
> S = S(nbnd, nbnd)
> if my code is executed on several MPI nodes?
>
> I see that for for nproc >1
>
> npw is actually npw/nproc, which brings a question what is happening
> in the MATMUL(evc, S)
>
>
> Ilya
>
> --
> *******************************************************
> Ilya Ryabinkin
> Postdoctoral Scholar
> Physical and Environmental Sciences
> University of Toronto Scarborough
> http://www.utsc.utoronto.ca/~aizmaylov/Members.html
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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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