meld.remd.worker.WorkerReplicaExchangeRunner

class meld.remd.worker.WorkerReplicaExchangeRunner(step, max_steps)[source]

Bases: object

This class coordinates running replica exchange on the workers.

__init__(step, max_steps)[source]

Initialize a WorkerReplicaExchangeRunner

Parameters
  • step (int) – current step

  • max_steps (int) – number of steps to run

Methods

__init__(step, max_steps)

Initialize a WorkerReplicaExchangeRunner

run(communicator, system_runner)

Continue running worker jobs until done.

Attributes

max_steps

number of steps to run

step

current step

property max_steps: int

number of steps to run

Return type

int

run(communicator, system_runner)[source]

Continue running worker jobs until done.

Parameters
  • communicator (ICommunicator) – a communicator object for talking to the leader

  • system_runner (IRunner) – a system runner object for actually running the simulations

Return type

None

property step: int

current step

Return type

int