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
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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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