[Pw_forum] ZGEMM or MATMUL for MPI environment

Ilya Ryabinkin igryabinkin at gmail.com
Wed Aug 31 21:16:42 CEST 2016


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
*******************************************************



More information about the users mailing list