Gromacs  2023.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions
gmx::DomainDecompositionBuilder Class Reference

#include <gromacs/domdec/builder.h>


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.

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)
 ~DomainDecompositionBuilder ()
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.

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