[Pw_forum] ZGEMM or MATMUL for MPI environment

[Paolo Giannozzi]

S is not distributed: CALL calbec( npw, evcold, evc, S ) computes
  S(ibnd,jbnd) = \sum_{i=1}^npw evcold^*(i,ibnd) evc(i,jbnd)

Paolo

On Wed, Aug 31, 2016 at 9:54 PM, Ilya Ryabinkin <igryabinkin at gmail.com>
wrote:

> > 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
>
> How do I know if it is distributed? I got it through
>
>  CALL calbec( npw, evcold, evc, S )
>
> --
> I.
>
> >
> > 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
> >> *******************************************************
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://pwscf.org/mailman/listinfo/pw_forum
> >
> >
> >
> >
> > --
> > 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
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> *******************************************************
>                     Ilya Ryabinkin
>                  Postdoctoral Scholar
>           Physical and Environmental Sciences
>            University of Toronto Scarborough
>   http://www.utsc.utoronto.ca/~aizmaylov/Members.html
> *******************************************************
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160831/9d81148f/attachment.html>