[CP2K-user] [CP2K:11404] Error in convergence for cp2k 6.1.0

Tiziano Müller tiziano... at chem.uzh.ch
Tue Mar 12 12:47:29 UTC 2019

Hi Rajdeep Paul,

Since you didn't attach the input file nor the complete output we have
to guess:
>From the EXIT STRING "Bus error (signal 7)" and your description that
the error occurs spuriously I would guess it to be a problem either on
the hardware/node side or a problem with the generated machine code
(compiler, support libraries). To rule out the latter I would suggest to
run the regtests and maybe some benchmark. On the other hand you might
just want to talk to your local IT guys.


Am 12.03.19 um 12:36 schrieb Rajdeep Paul:
> I was using cp2k 6.1.0 for energy calculation for different broken
> symmetry of a molecule. Abruptly the application takes a long time for
> calculating an OT and after few long OT the application terminates. This
> issue is neither affected by a specific node in the cluster nor by the
> memory allotted during the job. I checked the input file and there is no
> issue. For the same input file the job can also terminate normally and
> also sometimes it is terminating like in the screenshot. There is
> nothing printed in the error file also. If anyone can assist me in this
> issue it will be a great help for me.
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Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
tiziano... at chem.uzh.ch

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