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, const MpiComm &mpiCommSimulation, 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.
bool	thisRankHasPPDuty () const
	Returns whether this rank will compute particle-particle interactions.
bool	thisRankHasPmeDuty () const
	Returns whether this rank computes PME mesh interactions, also returns true when PME is not in use.
std::unique_ptr< gmx_domdec_t >	build (LocalAtomSetManager *atomSets, bool haveFillerParticlesInLocalState, ObservablesReducerBuilder *observablesReducerBuilder)
	Build the resulting DD manager.

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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