[Pw_forum] Fatal error in PMPI_Group_incl, possibly related to ScaLAPACK libraries

Paolo Giannozzi p.giannozzi at gmail.com
Wed Dec 7 15:01:16 CET 2016

On Tue, Dec 6, 2016 at 7:02 PM, Ryan Herchig <rch at mail.usf.edu> wrote:

> Including the -nd 1 flag seems to have fixed the problem

"fixed" not really: -nd 1 disables parallelization of dense-matrix
diagonalization, a useful feature that is supposed to work. In order
to verify whether there is something weird in the code or in your
machine, a test job that can be run in a reasonable amount of time is

> Thank you for telling me about that, I have never heard of that flag.

there is some information on how to submit parallel jobs and on the
various parallelization levels in Sec. 3 of the general user guide and
in Sec.4 of PWscf user guide

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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