adaptivemd.WorkerScheduler

class adaptivemd.WorkerScheduler(resource, verbose=False)

A single instance worker scheduler to interprete Task objects

Parameters:

• resource (Resource) – the resourse this scheduler should use.
• verbose (bool) – if True the worker will report lots of stuff

__init__(resource, verbose=False)

A single instance worker scheduler to interprete Task objects

Parameters:

• resource (Resource) – the resourse this scheduler should use.
• verbose (bool) – if True the worker will report lots of stuff

Methods

__init__(resource[, verbose])	A single instance worker scheduler to interprete Task objects
add_event(event)
advance()	Advance checking if tasks are completed or failed
cancel_events()	Remove all pending events and stop them from further task execution
change_state(new_state)
enter([project])	Call a preparations to use a scheduler
exit()	Shut down the scheduler
flatten_location(obj)
get_path(f)	Get the schedulers representation of the path in Location object
on(condition)	Shortcut for creation and appending of a new Event
release_queued_tasks()	Release captured tasks scheduled for execution (if not started yet)
remove_task(task)
replace_prefix(path)	Interprete adaptive paths and replace prefixes with real os paths
shut_down([wait_to_finish])	Do a controlled shutdown.
stage_generators()	Prepare files and folder for all generators
stage_in(staging)
stage_project()	Create paths necessary for the current project
stop_current()	Stop execution of the current task immediately
submit(submission)	Submit a Task or a Trajectory
task_to_script(task)	Convert a task to an executable bash script
trigger()	Trigger a check of state changes that leads to task execution
unroll_staging_path(location)	Convert a staging location into an adaptiveMD location
wait()	Wait until no more units are running and hence no more state changes

Attributes

current_task_dir	Return the current path to the worker directory :returns: the path or None if no task is executed at the time :rtype: str or None
folder_name
generators	Return the generators of the attached project
is_idle
path
staging_area_location

__init__(resource, verbose=False)

A single instance worker scheduler to interprete Task objects

Parameters:

• resource (Resource) – the resourse this scheduler should use.
• verbose (bool) – if True the worker will report lots of stuff

task_to_script(task)

Convert a task to an executable bash script

Parameters:task (Task) – the Task instance to be converted Returns:a list of bash commands Return type:list of str

submit(submission)

Submit a Task or a Trajectory

Parameters:submission ((list of) Task or Trajectory) – Returns:the list of tasks actually executed after looking at all objects Return type:list of Task

current_task_dir

Return the current path to the worker directory :returns: the path or None if no task is executed at the time :rtype: str or None

stop_current()

Stop execution of the current task immediately

Returns:if True the current task was cancelled, False if there was no task running Return type:bool

advance()

Advance checking if tasks are completed or failed

Needs to be called in regular intervals. Usually by the main worker instance

release_queued_tasks()

Release captured tasks scheduled for execution (if not started yet)

You can prefetch tasks (although not recommended for single workers) and this releases not started jobs back to the queue

enter(project=None)

Call a preparations to use a scheduler

Parameters:project (Project) – the project the worker should execute for

stage_project()

Create paths necessary for the current project

stage_generators()

Prepare files and folder for all generators

replace_prefix(path)

Interprete adaptive paths and replace prefixes with real os paths

Parameters:path (str) – the path with an adaptiveMD prefix Returns:the path without any adaptiveMD prefixes Return type:str

shut_down(wait_to_finish=True)

Do a controlled shutdown. Cancel all units and wait until they finish.

Parameters:wait_to_finish (bool) – if True default the function will block until all tasks report finish