v7.1 crashing when loading QS

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Jerry Tanoury

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Sep 4, 2021, 10:44:41 AM9/4/21
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Hi,
I'm having some odd behavior when running CP2K MD jobs: they sometimes crash at the beginning of the job when going to the QS step, and sometimes they do not.  I cannot track this down.  Typically, when I launch a job I get the output file and error file attached.  However, when I re-submit the job, it runs as expected after the 3rd or 4th try.  I'm not sure where to look for the problem.  I have also attached my arch file and an input file.  

I would very much appreciate any help in tracking this down.  It's becoming quite frustrating.

Thank you so much,
Jerry
cp2k.output
Anion-R-pyrComplex-NVT.inp
error_file.18861602
Anion-R-pyrComplex-NVT.inp

Jerry Tanoury

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Sep 4, 2021, 10:53:27 AM9/4/21
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Oops, I failed to add the arch file.
intel.popt

Jerry Tanoury

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Sep 4, 2021, 12:01:13 PM9/4/21
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PLEASE DISREGARD THIS POST.  I accidently chose the wrong forum.  My apologies for causing any confusion.  This can be deleted from this forum.

Thank you,
Jerry

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