[Pw_forum] ZGEMM or MATMUL for MPI environment
Ilya Ryabinkin
igryabinkin at gmail.com
Wed Aug 31 21:54:33 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
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
*******************************************************
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