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I am trying to run a Quantum espresso job on a cluster. However, the job, after running for a few seconds, ends abruptly and goes into 'E' status and returns an incomplete output. There is no error in the Quantum espresso program itself, as there is no error in the incomplete output file. However, a mail with the message "Post job file processing error." appears and nothing more. I've attached the script, input, output and mail here. Why does this error appear and what can I do?

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    $\begingroup$ Usually, queuing systems on clusters allow for logfiles containing stdout and stderr of the jobs, e.g. see bsub call here lsf-job-submission-stdout-stderr-redirection. You should use these files to analyze why the job terminates. Additionally does this happen also with a test system and / or does your job run on your own machine? $\endgroup$
    – Bort
    Jun 21 at 15:19
  • $\begingroup$ Duplicate on Matter Modeling $\endgroup$
    – Tyberius
    Jun 22 at 1:37
  • $\begingroup$ The general StackExchange requirement to ask for debugging help is to provide a minimal, complete, and working example to reproduce the problem. This is also a good first step in self-debugging, to try and find a minimal version of your job that produce essentially the same behavior (relatively immediate termination mail response citing "Post job file processing error"). $\endgroup$
    – hardmath
    Jun 22 at 4:49
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    $\begingroup$ Additionally, this doesn't seem to happen for other users or small test jobs, or similar smaller jobs running on my own machine. $\endgroup$ Jun 22 at 16:14
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    $\begingroup$ I vote to close. This is a problem either with QE or the local cluster environment. I will also note that the output shows that the same program is run multiple times, each of which believes that it is running on one MPI process. Your MPI environment may not be set up correctly. I think you need to talk to your cluster administrators. $\endgroup$ Jun 23 at 0:20

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