Any way to access the run_stats of a task?

Materials Project
1

I am interested in the timing (and memory usage) data of calculations / tasks (similar to the data in the tail of the OUTCAR). But, I can’t find an exposed API field for this information. I believe “run_stats” was previously used internally to store this information but I don’t think it’s available via the API.

  • Is there currently any way to access this information?
  • Will access be made available in the future?
2

Hey @Anubhav_Jain, the run_stats field was removed from the data schema used in the API. It’s still in the TaskDoc that stores results from atomate2 (superset of the API’s data schema)

The rationale being that it’s very hard to extract meaningful statistics from older calculations, especially when older MP calcs used no parallelization optimization (NCORE, KPAR, NSIM) and on hardware which is no longer around (Cori)

The older tasks collection with run_stats and other legacy fields is still available on AWS