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An AssertionError on Saving current model core to Chemkin file #2714

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Academics32 opened this issue Sep 12, 2024 · 2 comments
Open

An AssertionError on Saving current model core to Chemkin file #2714

Academics32 opened this issue Sep 12, 2024 · 2 comments

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@Academics32
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Academics32 commented Sep 12, 2024

After model enlargement:
The model core has 128 species and 4066 reactions
The model edge has 11941 species and 29093 reactions

Completed initial enlarge edge step.
Saving current model core to Chemkin file...
Traceback (most recent call last):
File "/home/ubuntu/miniconda3/envs/rmg_env/bin/rmg.py", line 118, in
main()
File "/home/ubuntu/miniconda3/envs/rmg_env/bin/rmg.py", line 112, in main
rmg.execute(**kwargs)
File "/home/ubuntu/miniconda3/envs/rmg_env/lib/python3.7/site-packages/rmgpy/rmg/main.py", line 749, in execute
self.save_everything()
File "/home/ubuntu/miniconda3/envs/rmg_env/lib/python3.7/site-packages/rmgpy/rmg/main.py", line 1849, in save_everything
self.notify()
File "/home/ubuntu/miniconda3/envs/rmg_env/lib/python3.7/site-packages/rmgpy/util.py", line 113, in notify
observer.update(self)
File "rmgpy/chemkin.pyx", line 2396, in rmgpy.chemkin.ChemkinWriter.update
File "rmgpy/chemkin.pyx", line 2292, in rmgpy.chemkin.save_chemkin_files
File "rmgpy/chemkin.pyx", line 2268, in rmgpy.chemkin.save_chemkin
File "rmgpy/chemkin.pyx", line 2107, in rmgpy.chemkin.save_chemkin_file
File "rmgpy/chemkin.pyx", line 1875, in rmgpy.chemkin.write_kinetics_entry
AssertionError

This AssertionError comes when I use seed mechanism in input.py file. Can someone please help me?

@Academics32
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I am completely stuck at this point. Can someone please help me to move forward.

@JacksonBurns
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It looks like you are failing one of the assert statement checks in this function but I can't tell which one since the line numbers don't match up. You might be running an outdated version of RMG-Py, so I recommend upgrading.

Those functions should also give more descriptive output about why they failed - check your terminal and logfiles to see if there is anything else.

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