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SP calculation attempt during composite jobs #138

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mjohnson541 opened this issue Jun 15, 2019 · 1 comment
Closed

SP calculation attempt during composite jobs #138

mjohnson541 opened this issue Jun 15, 2019 · 1 comment

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@mjohnson541
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There seems to be some path for a composite job (at least a restarted composite job) that causes it to attempt to a sp calculation, which automatically triggers an error. Might be related to ARC's troubleshooting recipes.

After restart:
Traceback (most recent call last):
File "../../ARC.py", line 74, in
main()
File "../../ARC.py", line 68, in main
arc_object.execute()
File "/Users/mattjohnson/RMGCODE/ARC/arc/main.py", line 619, in execute
adaptive_levels=self.adaptive_levels)
File "/Users/mattjohnson/RMGCODE/ARC/arc/scheduler.py", line 327, in init
self.run_sp_job(species.label)
File "/Users/mattjohnson/RMGCODE/ARC/arc/scheduler.py", line 716, in run_sp_job
label))
arc.arc_exceptions.SchedulerError: run_sp_job() was called for O=COCOO which has a composite method level of theory

@alongd alongd mentioned this issue Jun 18, 2019
@alongd
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alongd commented Jun 18, 2019

Thanks!! Should be solved by #139, let me know if the issue still persists

@alongd alongd closed this as completed Jun 21, 2019
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