qp.manager.submit.manage_jobs

qp.manager.submit.manage_jobs(output, job_count, method, scheduler)[source]

Orchestrate job preparation and submission.

Main entry point for the job submission workflow. Prepares up to job_count unsubmitted jobs and submits them to the specified scheduler.

Parameters:

  • output (str) – Path to the output directory containing cluster subdirectories.

  • job_count (int) – Maximum number of jobs to submit in this batch.

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

  • scheduler (str) – Scheduler type ('slurm' or 'sge').

Notes

This function calls sys.exit(0) upon completion.