Description

Infrastructure element responsible for PME load balancing.

This encapsulates the function call to PME load balancing, which is important for performance but outside of the current scope of the modular simulator project. This relies on legacy data structures for the state.

This element does not implement the ISimulatorElement interface, as the Simulator is calling it explicitly between task queue population steps. This allows elements to be aware of any changes before deciding what functionality they need to run.

Public Member Functions
	PmeLoadBalanceHelper (bool isVerbose, StatePropagatorData statePropagatorData, FILE fplog, t_commrec cr, const MDLogger &mdlog, const t_inputrec inputrec, gmx_wallcycle wcycle, t_forcerec fr)
	Constructor.

void	setup ()
	Initialize the load balancing object.

void	run (Step step, Time time)
	Do load balancing.

void	teardown ()
	Final printout and deconstruction of the load balancing object.

bool	pmePrinting () const
	Whether PME load balancing printing is active. More...

const pme_load_balancing_t *	loadBalancingObject ()
	Direct access to the load balancing object - used by reset counter.

Public Member Functions inherited from gmx::INeighborSearchSignallerClient
virtual	~INeighborSearchSignallerClient ()=default
	Standard virtual destructor.

Static Public Member Functions
static bool	doPmeLoadBalancing (const MdrunOptions &mdrunOptions, const t_inputrec inputrec, const t_forcerec fr, const SimulationWorkload &simWorkload)
	Whether we're doing PME load balancing.

Additional Inherited Members

Member Function Documentation

bool gmx::PmeLoadBalanceHelper::pmePrinting ( ) const

Whether PME load balancing printing is active.

Todo:: Check this!

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

src/gromacs/modularsimulator/pmeloadbalancehelper.h
src/gromacs/modularsimulator/pmeloadbalancehelper.cpp

Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Member Function Documentation