jaguar_timer Command Help

Command: $SCHRODINGER/utilities/jaguar_timer

usage: jaguar_timer [-h] [-ncpus NCPUS]
                                           [-max_jobs MAX_JOBS] [-no_limit]
                                           [-distributed_scan]
                                           [-optimized_cpu_assignments | -uniform_cpu_assignments]
                                           input_files [input_files ...]

Given a Jaguar input file (or multiple Jaguar input files) and optionally the
number of CPUs, use a machine learning model to print an estimate of the walltime
for the associated Jaguar job(s).

positional arguments:
  input_files

options:
  -h, --help            show this help message and exit
  -ncpus NCPUS          Number of CPUs that will be used for the Jaguar job.
  -max_jobs MAX_JOBS    Maximum number of subjobs that will run
                        simultaneously.
  -no_limit             Allow any number of input files to be processed.
  -distributed_scan     For rigid/relaxed scan, estimate walltime assuming
                        distributed_scan.py will be used to launch scan
                        points.
  -optimized_cpu_assignments
                        Assignment of CPU cores is optimized to reduce total
                        wall-time.
  -uniform_cpu_assignments
                        Assignment of CPU cores is done uniformly.