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Mopac .out file missing from temp directory #2023

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aiscarruthers opened this issue Sep 7, 2020 · 5 comments
Closed

Mopac .out file missing from temp directory #2023

aiscarruthers opened this issue Sep 7, 2020 · 5 comments

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@aiscarruthers
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aiscarruthers commented Sep 7, 2020

Context

I'm trying to get use the QM functionality and I'm recieving this error message after a few other traceback lines:

File "/anaconda3/envs/rmg_env/lib/python3.7/site-packages/rmgpy/qm/mopac.py", line 146, in run
shutil.copy(tempOutFile, self.output_file_path)
File "/anaconda3/envs/rmg_env/lib/python3.7/shutil.py", line 248, in copy
copyfile(src, dst, follow_symlinks=follow_symlinks)
File "/anaconda3/envs/rmg_env/lib/python3.7/shutil.py", line 120, in copyfile
with open(src, 'rb') as fsrc:
FileNotFoundError: [Errno 2] No such file or directory: '/tmp/tmpk6hoa3b1/ICJNOTNMGFCUFQ-UHFFFAOYSA-N.out'

What's confusing about this to me is that MOPAC2016.exe is not throwing any error message and neither is the "stdout, stderr = process.comunicate(input=comand)" line but for some reason, the .out file is not being created (or is somehow being deleted?). I did a search through all of my directories to see if maybe the .out file was being placed in some other directory but this isn't the case.

Question

Is there something I can do to fix this on my installation? I was reluctant to report this as a bug because I wasn't sure if I had installed something incorrectly.

Installation Information

Describe your installation method and system information if applicable.

  • Ubuntu subsystem on windows 10
  • Binary installation wt anaconda
  • RMG version information:
    • RMG v 3.0.0
    • RMG-database v 3.0.0
@mjohnson541
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You're running RMG v3.0.0 with RMG-database v1.0.2? I would've thought they'd be incompatible. Can you try running RMG v3.0.0 with RMG-database v3.0.0?

@aiscarruthers
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Sorry, yes this was an error, I've since checked and they are both v3.0.0 I'll change the original question.

@ajocher
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ajocher commented Sep 8, 2020

Did you run into this error in the first run in a fresh directory, or did you rerun in the same directory? Can you try running the same case in a fresh directory?

@aiscarruthers
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Previously I was trying to run a custom case but have since tried using the Hexadiene example and the error is the same but for a different species. This error appears on both fresh attempts in new directories and reruns.

@JacksonBurns
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This installation method is no longer supported and the latest versions of MOPAC (#2417) do not have this issue. Closing as stale.

@JacksonBurns JacksonBurns closed this as not planned Won't fix, can't repro, duplicate, stale May 12, 2023
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4 participants