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

[Tiziano Müller]

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.

Best,
Tiziano

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
www.chem.uzh.ch
tiziano... at chem.uzh.ch