Gromacs  2018.8
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Files
Spatial domain decomposition (for parallelization over MPI)
+ Collaboration diagram for Spatial domain decomposition (for parallelization over MPI):

Description

Manages the decomposition of the simulation volume over MPI ranks to try to distribute work evenly with minimal communication overheads.

Todo:
Get domdec stuff out of mdtypes/commrec.h
Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

Files

file  dlbtiming.h
 This file declares functions for timing the load imbalance due to domain decomposition.
 
file  domdec.h
 This file declares functions for mdrun to call to manage the details of its domain decomposition.
 
file  domdec_network.h
 This file declares functions for (mostly) the domdec module to use MPI functionality.
 
file  domdec_struct.h
 Declares structures related to domain decomposition.
 
file  ga2la.h
 Defines structures and functions for mapping from global to local atom indices. The functions are performance critical and should be inlined.