qp.analyze.checkup.check_all_jobs

qp.analyze.checkup.check_all_jobs(method, output, delete_queued)[source]

Classify all QM jobs by status and generate summary reports.

Scans the output directory for submitted jobs, classifies each as done, running, queued, backlog, charge error, memory error, or unknown, and writes checkup/failure_modes.csv and checkup/job_status.csv.

Parameters:

  • method (str) – DFT method name (subdirectory under each chain directory).

  • output (str) – Path to the top-level output directory.

  • delete_queued (bool) – If True, delete .submit_record files for unfinished jobs so they can be resubmitted.

Returns:

(failure_counts, author_counts) where failure_counts maps status labels to counts and author_counts maps author names to job counts.

Return type:

tuple of (dict, dict)