gmx::CheckpointHandler Class Reference

#include <gromacs/mdlib/checkpointhandler.h>

Description

Class handling the checkpoint signal.

Master rank sets the checkpointing signal periodically All ranks receive checkpointing signal and set the respective flag

Public Member Functions
	CheckpointHandler (compat::not_null< SimulationSignal * > signal, bool simulationsShareState, bool neverUpdateNeighborList, bool isMaster, bool writeFinalCheckpoint, real checkpointingPeriod)
	CheckpointHandler constructor. More...
void	setSignal (gmx_walltime_accounting *walltime_accounting) const
	Decides whether a checkpointing signal needs to be set. More...
void	decideIfCheckpointingThisStep (bool bNS, bool bFirstStep, bool bLastStep)
	Decides whether a checkpoint shall be written at this step. More...
bool	isCheckpointingStep () const
	Query decision in decideIfCheckpointingThisStep()

Constructor & Destructor Documentation

gmx::CheckpointHandler::CheckpointHandler	(	compat::not_null< SimulationSignal * >	signal,
		bool	simulationsShareState,
		bool	neverUpdateNeighborList,
		bool	isMaster,
		bool	writeFinalCheckpoint,
		real	checkpointingPeriod
	)

CheckpointHandler constructor.

Needs a non-null pointer to the signal which is reduced by compute_globals, and (const) references to data it needs to determine whether a signal needs to be set or handled.

Member Function Documentation

void gmx::CheckpointHandler::decideIfCheckpointingThisStep ( bool  bNS, bool  bFirstStep, bool  bLastStep  )

inline

Decides whether a checkpoint shall be written at this step.

Checkpointing is done if this is not the initial step, and

• a signal has been set and the current step is a neighborlist creation step, or
• the current step is the last step and a the simulation is writing configurations.

Todo:

Change these bools to enums to make calls more self-explanatory

void gmx::CheckpointHandler::setSignal ( gmx_walltime_accounting *  walltime_accounting ) const

inline

Decides whether a checkpointing signal needs to be set.

Checkpointing signal is set based on the elapsed run time and the checkpointing interval.

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The documentation for this class was generated from the following files:

• src/gromacs/mdlib/checkpointhandler.h
• src/gromacs/mdlib/checkpointhandler.cpp