[QE-users] Problem with Band Structure Post-processing calculation

Paolo Giannozzi p.giannozzi at gmail.com
Wed Apr 6 15:13:51 CEST 2022


On Wed, Apr 6, 2022 at 3:02 PM Jasleen Kaur via users <
users at lists.quantum-espresso.org> wrote:


> Could you please look into this and let me know if I am missing anything.
>

you are missing something quite obvious: don't you see that there are N
processes, each running on 1 processor? This typically happens when you run
with a MPI run-time software (mpirun, mpiexec, whatever) that is
incompatible with the MPI libraries used in compilation. This may or may
not be the origin of your problem, but it has to be fixed anyway.

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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