RS_GRID

Section can be repeated.

Set options that influence how the realspace grids are being distributed in parallel runs. [Edit on GitHub]

Keywords

DISTRIBUTION_LAYOUT
DISTRIBUTION_TYPE
HALO_REDUCTION_FACTOR
LOCK_DISTRIBUTION
MAX_DISTRIBUTED_LEVEL
MEMORY_FACTOR

Keyword descriptions

DISTRIBUTION_LAYOUT

Type: integer[3]
Default: -1 -1 -1
Usage: DISTRIBUTION_LAYOUT

Description: 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.

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DISTRIBUTION_TYPE

Type: enum
Default: AUTOMATIC
Usage: DISTRIBUTION_TYPE DISTRIBUTED

Description: Parallelization strategy.

Valid values:

AUTOMATIC Use heuristic rules to decide between distributed and replicated
DISTRIBUTED Force a distributed setup if possible
REPLICATED Force a replicated setup

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HALO_REDUCTION_FACTOR

Type: real
Default: 1.00000000E+000
Usage: HALO_REDUCTION_FACTOR 0.5

Description: Can be used to reduce the halo of the distributed grid (experimental features).

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LOCK_DISTRIBUTION

Type: logical
Default: T
Usage: LOCK_DISTRIBUTION TRUE

Description: 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 as the next finer multigrid (provided it is distributed). If unlocked, all grids can be distributed freely.

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MAX_DISTRIBUTED_LEVEL

Type: integer
Default: 2
Usage: MAX_DISTRIBUTED_LEVEL 1

Description: If the multigrid-level of a grid is larger than the parameter, it will not be distributed in the automatic scheme.

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MEMORY_FACTOR

Type: real
Default: 2.00000000E+000
Usage: MEMORY_FACTOR 4.0

Description: A grid will only be distributed if the memory usage for that grid (including halo) is smaller than a replicated grid by this parameter.

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