PhononWorkChain: add max concurrent running pw workchains
#84
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Fixes #52 Add the `settings.max_concurrent_base_workchains` input to the `PhononWorkChain` to run only up to a maximum number of PwBaseWorkChain at the same time. This is particularly useful for low symmetry materials where many displacements are generated. This avoids to overload both the AiiDA daemon and especially the HPC. Moreover, this even allows for running on the local machine (where AiiDA is installed) this workflow.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #84 +/- ##
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+ Coverage 86.59% 86.77% +0.17%
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Files 34 34
Lines 2491 2502 +11
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+ Hits 2157 2171 +14
+ Misses 334 331 -3
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@cpignedoli here you go! A bit late, but they say better late than never :D |
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Fixes #52
Add the
settings.max_concurrent_base_workchainsinput to thePhononWorkChainto run only up to a maximum number of PwBaseWorkChain at the same time. This is particularly useful for low symmetry materials where many displacements are generated. This avoids to overload both the AiiDA daemon and especially the HPC. Moreover, this even allows for running on the local machine (where AiiDA is installed) this workflow.