DISTRIBUTION

can be used used to tune the parallel distribution of the data [Edit on GitHub]

Keywords

Keyword descriptions

2D_MOLECULAR_DISTRIBUTION

Type: logical
Default: F
Lone keyword: T
Usage: 2D_MOLECULAR_DISTRIBUTION TRUE

Description: Distribute the atoms so that atoms belonging to a given molecule are on the same CPU for the 2D distribution. This might give rise to a worse distribution but reduces memory needs of finding the optimal distribution.

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BASIC_CLUSTER_OPTIMIZATION

Type: logical
Default: F
Lone keyword: T
Usage: BASIC_CLUSTER_OPTIMIZATION TRUE

Description: Creates a distribution with spatial info, using recursively KMEANS clustering.

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BASIC_OPTIMIZATION

Type: logical
Default: T
Lone keyword: T
Usage: BASIC_OPTIMIZATION TRUE

Description: Creates a distribution based on a few heuristics using only minimal memory and CPU time.

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BASIC_SPATIAL_OPTIMIZATION

Type: logical
Default: F
Lone keyword: T
Usage: BASIC_SPATIAL_OPTIMIZATION TRUE

Description: Creates a distribution with spatial info, using only minimal memory and CPU time.

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COST_MODEL

Type: enum
Default: BLOCK_COUNT
Usage: COST_MODEL BLOCK_COUNT

Description: The cost model that needs to be minimized

Valid values:

  • BLOCK_COUNT the number of blocks

  • BLOCK_SURFACE the number of blocks weighted by the number elements per block

  • BLOCK_LMAX the number of blocks weighted by the sum of the lmax

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SKIP_OPTIMIZATION

Type: logical
Default: F
Lone keyword: T
Usage: SKIP_OPTIMIZATION TRUE

Description: Do not optimize the distribution, go for something very simple. Might be useful if the optimization, which scales quadratically in system size, is too expensive.

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SYMMETRIC

Type: logical
Default: T
Lone keyword: T
Usage: SYMMETRIC TRUE

Description: Take the symmetry of the distribution_2d into account.

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