-
Notifications
You must be signed in to change notification settings - Fork 227
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Mopac .out file missing from temp directory #2023
Comments
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? |
Sorry, yes this was an error, I've since checked and they are both v3.0.0 I'll change the original question. |
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? |
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. |
This installation method is no longer supported and the latest versions of MOPAC (#2417) do not have this issue. Closing as stale. |
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.
The text was updated successfully, but these errors were encountered: