search

ReactionMechanismGenerator / ARC

ARC - Automatic Rate Calculator
https://reactionmechanismgenerator.github.io/ARC/index.html
MIT License
42 stars 21 forks source link

Queue change - PBS #719

Closed calvinp0 closed 4 months ago

calvinp0 commented 7 months ago

A new troubleshoot function that will recognise, on PBS, if the job failed due to exceeding the walltime. If this is the case, it will then first check to see if the user has provided multiple queue names and times to use. If so, it will then check if the provided times of these queues are sufficient. If not, it will then query PBS to determine if there are queues available that provide the user sufficient time

codecov[bot] commented 7 months ago

Codecov Report

Attention: 46 lines in your changes are missing coverage. Please review.

Comparison is base (ca95070) 73.67% compared to head (144462d) 73.82%.

:exclamation: Current head 144462d differs from pull request most recent head bb545c5. Consider uploading reports for the commit bb545c5 to get more accurate results

Files Patch % Lines
arc/job/trsh.py 50.00% 18 Missing and 11 partials :warning:
arc/scheduler.py 0.00% 8 Missing :warning:
arc/job/adapter.py 80.00% 1 Missing and 5 partials :warning:
arc/job/adapters/psi_4.py 0.00% 2 Missing :warning:
arc/job/local.py 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #719 +/- ## ========================================== + Coverage 73.67% 73.82% +0.14% ========================================== Files 99 99 Lines 27199 27346 +147 Branches 5690 5717 +27 ========================================== + Hits 20040 20187 +147 + Misses 5759 5733 -26 - Partials 1400 1426 +26 ``` | [Flag](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/719/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/ReactionMechanismGenerator/ARC/pull/719/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator) | `73.82% <83.91%> (+0.14%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ReactionMechanismGenerator#carryforward-flags-in-the-pull-request-comment) to find out more.

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.