[Pw_forum] Can I get away with restart_mode="restart" in this case? max_seconds did not end the calculation right.

Joshua Davis davis101 at chemistry.msu.edu
Mon Feb 15 17:55:35 CET 2016


Dear pwscf fourm,

I am currently trying to run an HSE calculation on my university's high
performance cluster.  To make sure the density and wave-functions are
written properly before scheduled session ends I usually use max_seconds to
stop the calculation.  The max_seconds function did stop the calculation
and was ended by the scheduler.  Can I still  use the wave-function files
even though the calculation did not end right?

The default disk_io is set to the default "low".  I did try to use disk_io
= "high", but I ran into "davcio (10)"

----------------------------------------------------------------------------------------------------------------
Joshua D. Davis

Graduate Assistant
Michigan State University

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