[QE-users] HSE06 restart

Aleksandra Oranskaia aleksandra.oranskaia at kaust.edu.sa
Thu Mar 7 10:14:43 CET 2019


Hello dear developers of QE,

Could you please share any hints on restarting HSE06 calculations?
 
I usually put > 30min more in job submission scripts than I set max_seconds in QE input, but it still does not help.
>From all my HSE06 jobs only twice the output of the stopped job was written correctly and only once the job successfully restarted, in all dozen cases I was loosing core-hours from my project allocation :-(

I would appreciate any advice on this issue.

Thanks in advance,
Alex.
___
Aleksandra Oranskaia (M.Sc.)
ChemS PhD student, KAUST
Phone: +966 50 1335254
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