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Allow increase of `maxiter` for OptimizationDatasets

Open dotsdl opened this issue 3 years ago • 0 comments

Is your feature request related to a problem? Please describe.

It is often the case that the initial maxiter setting for geometry optimization datasets is set too low on submission, resulting in many OptimizationRecords that will never complete unless the maxiter is set higher.

Describe the solution you'd like

Because this setting is entirely a compute parameter, and has no bearing on the final result (except for completion, as noted), we would like to be able to alter this on an existing OptimizationDataset, or at the very least increase it, after submission.

This may be tricky, as existing tasks associated with each OptimizationRecord would need to be either altered or replaced with the new maxiter.

Describe alternatives you've considered

Currently, we often re-submit the compute spec with a higher number of iterations specified on the dataset. This is rather wasteful, as it will re-compute for cases already completed in addition to those that haven't.

Additional context

dotsdl avatar Nov 24 '20 02:11 dotsdl