Section RS_GRID

• Set options that influence how the realspace grids are being distributed in parallel runs.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / POISSON / EWALD / RS_GRID

• This section can be repeated.

• Subsections

  • none

• Keywords

  • DISTRIBUTION_LAYOUT
  • DISTRIBUTION_TYPE
  • HALO_REDUCTION_FACTOR
  • LOCK_DISTRIBUTION
  • MAX_DISTRIBUTED_LEVEL
  • MEMORY_FACTOR

• Keyword descriptions

  DISTRIBUTION_LAYOUT
  	DISTRIBUTION_LAYOUT {Integer} {Integer} {Integer}
  	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 keyword cannot be repeated and it expects precisely 3 integers.
  	Default values: -1 -1 -1

  DISTRIBUTION_TYPE
  	DISTRIBUTION_TYPE {Keyword}
  	Parallelization strategy.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: AUTOMATIC
  	List of valid keywords: AUTOMATIC Use heuristic rules to decide between distributed and replicated DISTRIBUTED Force a distributed setup if possible REPLICATED Force a replicated setup

  HALO_REDUCTION_FACTOR
  	HALO_REDUCTION_FACTOR {Real}
  	Can be used to reduce the halo of the distributed grid (experimental features).
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000

  LOCK_DISTRIBUTION
  	LOCK_DISTRIBUTION {Logical}
  	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 keyword cannot be repeated and it expects precisely one logical.
  	Default value: .TRUE.

  MAX_DISTRIBUTED_LEVEL
  	MAX_DISTRIBUTED_LEVEL {Integer}
  	If the multigrid-level of a grid is larger than the parameter, it will not be distributed in the automatic scheme.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 2

  MEMORY_FACTOR
  	MEMORY_FACTOR {Real}
  	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 keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E+000