From: René Hafner TUK (hamburge_at_physik.uni-kl.de)
Date: Wed Mar 24 2021 - 08:13:04 CDT
Dear NAMD Maintainers,
I work on cluster with SLURM batch system.
I am currently testing replica simulations and
experience the issue that when the replica simulation ends with
an error or I cancel the job via scancel (since I am only testing...)
the node gets "closed" with the error that "*kill task failed*".
(it then takes intervention by cluster admins to reopen/reboot the node
but thats local policy I guess)
Have you ever experienced this?
Is there a way to savely end the replica runs even when an error occurs?
Do I have to collect processIDs to kill the replica runs myself before
the submission script (containing the call to charmrun namd2... ) ends ?
-- -- Dipl.-Phys. René Hafner TU Kaiserslautern Germany
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