[Pw_forum] ZGEMM or MATMUL for MPI environment

[Ilya Ryabinkin]

So, the bottom line: ZGEMM and MATMUL should give the same, right?

--
I.

On Wed, Aug 31, 2016 at 4:13 PM, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 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
>> >> *******************************************************
>> >> _______________________________________________
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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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>>
>>
>>
>> --
>> *******************************************************
>>                     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
*******************************************************