w_run

w_run starts or continues a weighted ensemble simualtion.

Overview

Usage:

w_run [-h] [-r RCFILE] [--quiet | --verbose | --debug] [--version]
             [--oneseg ] [--wm-work-manager WORK_MANAGER]
             [--wm-n-workers N_WORKERS] [--wm-zmq-mode MODE]
             [--wm-zmq-info INFO_FILE] [--wm-zmq-task-endpoint TASK_ENDPOINT]
             [--wm-zmq-result-endpoint RESULT_ENDPOINT]
             [--wm-zmq-announce-endpoint ANNOUNCE_ENDPOINT]
             [--wm-zmq-heartbeat-interval INTERVAL]
             [--wm-zmq-task-timeout TIMEOUT] [--wm-zmq-client-comm-mode MODE]

Command-Line Options

See the command-line tool index for more information on the general options.

Segment Options

::

--oneseg: Only propagate one segment (useful for debugging propagators)

Example

A simple example for using w_run (mostly taken from odld example that is available in the main WESTPA distribution):

w_run &> west.log

This commands starts up a serial weighted ensemble run and pipes the results into the west.log file. As a side note --debug option is very useful for debugging the code if something goes wrong.

westpa.cli.core.w_run module

westpa.cli.core.w_run.make_work_manager(): Using cues from the environment, instantiate a pre-configured work manager.

westpa.cli.core.w_run.entry_point()

westpa.cli.core.w_run.run_simulation()