CalculationBackend¶
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class
openff.evaluator.backends.
CalculationBackend
(number_of_workers=1, resources_per_worker=None)[source]¶ An abstract base representation of an openff-evaluator calculation backend. A backend is responsible for coordinating, distributing and running calculations on the available hardware. This may range from a single machine to a multinode cluster, but not across multiple cluster or physical locations.
Notes
All estimator backend classes must inherit from this class, and must implement the start, stop, and submit_task method.
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__init__
(number_of_workers=1, resources_per_worker=None)[source]¶ Constructs a new CalculationBackend object.
- Parameters
number_of_workers (int) – The number of works to run the calculations on. One worker can perform a single task (e.g run a simulation) at once.
resources_per_worker (ComputeResources, optional) – The number of resources to request per worker.
Methods
__init__
([number_of_workers, …])Constructs a new CalculationBackend object.
start
()Start the calculation backend.
stop
()Stop the calculation backend.
submit_task
(function, *args, **kwargs)Submit a task to the compute resources managed by this backend.
Attributes
Returns whether this backend has been started yet.
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