Gromacs
2018
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Manages the decomposition of the simulation volume over MPI ranks to try to distribute work evenly with minimal communication overheads.
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. | |