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: integer[3] = -1 -1 -1

Usage: 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. [Edit on GitHub]

DISTRIBUTION_TYPE: enum = AUTOMATIC

Usage: DISTRIBUTION_TYPE DISTRIBUTED

Valid values:

• AUTOMATIC Use heuristic rules to decide between distributed and replicated

• DISTRIBUTED Force a distributed setup if possible

• REPLICATED Force a replicated setup

Parallelization strategy. [Edit on GitHub]

HALO_REDUCTION_FACTOR: real = 1.00000000E+000

Usage: HALO_REDUCTION_FACTOR 0.5

Can be used to reduce the halo of the distributed grid (experimental features). [Edit on GitHub]

LOCK_DISTRIBUTION: logical = T

Usage: 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 as the next finer multigrid (provided it is distributed). If unlocked, all grids can be distributed freely. [Edit on GitHub]

MAX_DISTRIBUTED_LEVEL: integer = 2

Usage: 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. [Edit on GitHub]

MEMORY_FACTOR: real = 2.00000000E+000

Usage: 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. [Edit on GitHub]