gmx::DomainDecompositionBuilder Class Reference

#include <gromacs/domdec/builder.h>

Description

Builds a domain decomposition management object.

This multi-phase construction needs first a decision about the duty(s) of each rank, and then perhaps to be advised of GPU streams for transfer operations.

Classes
class	Impl
	Impl class for DD builder. More...

Public Member Functions
	DomainDecompositionBuilder (const MDLogger &mdlog, t_commrec *cr, const DomdecOptions &options, const MdrunOptions &mdrunOptions, const gmx_mtop_t &mtop, const t_inputrec &ir, const MDModulesNotifiers &notifiers, const matrix box, ArrayRef< const RangePartitioning > updateGroupingPerMoleculeType, bool useUpdateGroups, real maxUpdateGroupRadius, ArrayRef< const RVec > xGlobal, bool useGpuForNonbonded, bool useGpuForPme, bool useGpuForUpdate, bool useGpuDirectHalo, bool canUseGpuPmeDecomposition)
	Constructor.
	~DomainDecompositionBuilder ()
	Destructor.
std::unique_ptr< gmx_domdec_t >	build (LocalAtomSetManager *atomSets, const gmx_localtop_t &localTopology, const t_state *localState, ObservablesReducerBuilder *observablesReducerBuilder)
	Build the resulting DD manager. More...

Member Function Documentation

std::unique_ptr< gmx_domdec_t > gmx::DomainDecompositionBuilder::build	(	LocalAtomSetManager *	atomSets,
		const gmx_localtop_t &	localTopology,
		const t_state *	localState,
		ObservablesReducerBuilder *	observablesReducerBuilder
	)

Build the resulting DD manager.

localState is used for printing distances in case bonded interactions can not be assigned. Pass nullptr when multiple local states are used (e.g. during EM).

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

• src/gromacs/domdec/builder.h
• src/gromacs/domdec/domdec.cpp