[QE-users] problem in cp.x parallel calculation version 6.4 and 6.3

Zahra Nourbakhsh z.nourbakhsh at gmail.com
Thu May 7 01:23:18 CEST 2020


Dear experts,

I have just started BOMD calculations using the QE package.

I found that for QE version 6.3.0 and 6.4.1, the cp.x command does not work
properly when I run it parallel and increase/decrease the number of cores.
I have run the same input from scratch, but the results are core dependent!

But this issue does not exist for version 6.1.0 and using this version, my
results are the same for any numbers of cores.

I have asked our cluster supporting team about this issue but they believe
that it comes from QE. Does anyone have any suggestions?

Yours sincerely,
Zara
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