Closed dotsdl closed 12 months ago
I don't see a way to do this with individual records. However, you can now set additional_keywords
on entries in an OptimizationDataset. These are merged with the specification keywords when creating records for a particular entry. So those records would be recalculated, but at least already-completed entries wouldn't be recomputed.
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 manyOptimizationRecord
s that will never complete unless themaxiter
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 newmaxiter
.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