CRAZY crashes without error
Matthijs Lasure
mlasu... at gmail.com
Sun Oct 15 19:05:35 UTC 2017
Hi all,
I'm a newcomer to CP2K, and I have a problem with a MD simulation of
chloropropanoic acid.
I'm trying to do a 60.000 steps simulation, very simular to the tutorial
simulation with travis.
(http://www.travis-analyzer.de/files/travis_ir_raman.pdf, as found under
the howto section)
Whilst the example ran fine, this one crashed now three times without an
error in the output file.
The output from the job manager just speaks of a process terminating
unexpected (see the .o file). No additional information is provided.
I've also noticed that the calculation time per step has tenfolded shortly
before the crash. Could this be related?
Included are the job information files, the time graph, input file and last
500 lines of the output.
Thanks in advance,
With kind regards,
Matthijs Lasure
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