[QE-users] disk space consumption

Konstantin Glazyrin konstantin.glazyrin at desy.de
Wed Aug 30 08:35:01 CEST 2023


Dear All,
I am new with QE, trying out our HPC facility, I apologize in advance for
any double posting.

Our HPC facility has some restrictions for the disk space. I am trying to
relax an experimentally solved structure in "scf" mode first. The procedure
of testing/optimizing for ecut takes ~20 GB for 2 points from my 30 GB
quota. What are the typical values I should consider for the disk space
consumption when working with QE? What could be a typical quota I should
consider as comfortable when working with QE?

Thank you!
best wishes,
             Konstantin

-- 
Beamline Scientist
DESY, FS-PE, bldg. 47c, L115
Notkestrasse 85
22607 Hamburg, Germany
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