gmx_multisim_t Struct Reference

#include <gromacs/mdrunutility/multisim.h>

Description

Coordinate multi-simulation resources for mdrun.

Todo:

Change this to class

Public Member Functions
	gmx_multisim_t (int numSimulations, int simulationIndex, MPI_Comm mainsComm, MPI_Comm simulationComm)
	Constructor. More...
	~gmx_multisim_t ()
	Destructor.

Public Attributes
int	numSimulations_ = 1
	The number of simulations in the set of multi-simulations.
int	simulationIndex_ = 0
	The index of the simulation that owns this object within the set.
MPI_Comm	mainRanksComm_ = MPI_COMM_NULL
	The MPI communicator between main ranks of simulations, valid only on main ranks.
MPI_Comm	simulationComm_ = MPI_COMM_NULL
	The MPI communicator between ranks of this simulation.

Constructor & Destructor Documentation

gmx_multisim_t::gmx_multisim_t	(	int	numSimulations,
		int	simulationIndex,
		MPI_Comm	mainsComm,
		MPI_Comm	simulationComm
	)

Constructor.

Parameters

[in]	numSimulations	The number of simulations in the MPI world.
[in]	simulationIndex	The index of this simulation in the set of simulations.
[in]	mainsComm	On main ranks, the communicator among main ranks; otherwise MPI_COMM_NULL.
[in]	simulationComm	The communicator among ranks of this simulation.

Assumes ownership of the communicators if they are neither MPI_COMM_WORLD nor MPI_COMM_NULL. If so, upon destruction will call MPI_Comm_free on them.

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

• src/gromacs/mdrunutility/multisim.h
• src/gromacs/mdrunutility/multisim.cpp