The CP2K project : input section RS_GRID

Section RS_GRID

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MM%POISSON%EWALD%RS_GRID.

Set options that influence how the realspace grids are being distributed in parallel runs. This section can be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

DISTRIBUTION_TYPE
DISTRIBUTION_TYPE DISTRIBUTED
Parallelization strategy.
This optional keyword expects a keyword. Default value: AUTOMATIC
valid keywords:
  • AUTOMATIC: Use heuristic rules to decide between distributed and replicated
  • DISTRIBUTED: Force a distributed setup if possible
  • REPLICATED: Force a replicated setup
DISTRIBUTION_LAYOUT
DISTRIBUTION_LAYOUT
Specifies the number of slices in the x, y and z directions.-1 specifies that any number of slices is OK.If a given distribution can not be satisfied, a replicated grid will result.Also see LOCK_DISTRIBUTION.
This optional keyword expects precisely 3 integers. Default value: -1 -1 -1
MAX_DISTRIBUTED_LEVEL
MAX_DISTRIBUTED_LEVEL 1
If the multigrid-level of a grid is larger than the parameter, it will not be distributed in the automatic scheme.
This optional keyword expects an integer. Default value: 2
LOCK_DISTRIBUTION
LOCK_DISTRIBUTION TRUE
Expert use only, only basic QS deals correctly with a non-default value.If the distribution is locked, a grid will have the same distribution asthe next finer multigrid (provided it is distributed).If unlocked, all grids can be distributed freely.
This optional keyword expects a logical. Default value: T
MEMORY_FACTOR
MEMORY_FACTOR 4.0
A grid will only be distributed if the memory usage for that grid (including halo) is smaller than a replicated grid by this parameter.
This optional keyword expects a real. Default value: 2.0000000000000000E+00
HALO_REDUCTION_FACTOR
HALO_REDUCTION_FACTOR 0.5
Can be used to reduce the halo of the distributed grid (experimental features).
This optional keyword expects a real. Default value: 1.0000000000000000E+00


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