[QE-users] Calculation Error with pw.x on compute Canada cluster

Paolo Giannozzi p.giannozzi at gmail.com
Sat Apr 17 14:11:08 CEST 2021


On Sat, Apr 17, 2021 at 8:15 AM Rutika Savaliya <
rutika.savaliya at mail.mcgill.ca> wrote:

My calculation starts and ends abrutly after 2 or 3 iterations. I wanted to
> know if the issue is regarding my input file or the version of quantum
> espresso.
>

most likely, none of the above. Hard to say more without an output and a
traceback that traces back instead of obsessively repeating "unknown"

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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