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Commented out the reset of the job_dict conformers #634

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@calvinp0 calvinp0 commented Apr 3, 2023

The current workaround is to remove the reset of the self.job_dict[label]['conformers']

@alongd was there a specific reason for this line of code originally?

@calvinp0 calvinp0 requested review from alongd and kfir4444 April 3, 2023 12:32
@calvinp0 calvinp0 linked an issue Apr 3, 2023 that may be closed by this pull request
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codecov bot commented Apr 3, 2023

Codecov Report

Merging #634 (2bdc254) into main (fac0c4e) will increase coverage by 0.01%.
The diff coverage is 0.00%.

@@            Coverage Diff             @@
##             main     #634      +/-   ##
==========================================
+ Coverage   73.04%   73.05%   +0.01%     
==========================================
  Files          99       99              
  Lines       26191    26190       -1     
  Branches     5484     5484              
==========================================
+ Hits        19131    19133       +2     
+ Misses       5697     5695       -2     
+ Partials     1363     1362       -1     
Impacted Files Coverage Δ
arc/job/adapters/ts/heuristics.py 82.31% <0.00%> (ø)
arc/main.py 48.50% <0.00%> (ø)
arc/scheduler.py 20.19% <ø> (+0.01%) ⬆️

... and 1 file with indirect coverage changes

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@calvinp0 calvinp0 force-pushed the 632-receiving-keyerror-3-during-arc-restart branch from 9f5be31 to 2bdc254 Compare April 9, 2023 09:16
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alongd commented Apr 15, 2023

I think we assume that if we're in process_conformers, then all conformers have finished running. When a specific job finished, we remove it from the job_dict[label][<job id>] dict, but conformers have another level in this dict of job_dict[label][conformers][<job id>], so we reset the entire thing.

Does commenting this out solve the reset issues? I'd like to understand it better, but if so, please remove the line instead of commenting it out.

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Receiving KeyError: 3 during ARC Restart
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