LOAD_BALANCE

References: Guidon2008

Parameters influencing the load balancing of the HF [Edit on GitHub]

Subsections

PRINT

Keywords

BLOCK_SIZE
NBINS
RANDOMIZE

Keyword descriptions

BLOCK_SIZE

Type: integer
Default: -1
Usage: BLOCK_SIZE 4

Description: Determines the blocking used for the atomic quartet loops. A proper choice can speedup the calculation. The default (-1) is automatic.

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NBINS

Type: integer
Default: 64
Usage: NBINS 32

Description: Number of bins per process used to group atom quartets.

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RANDOMIZE

Type: logical
Default: F
Usage: RANDOMIZE TRUE

Description: This flag controls the randomization of the bin assignment to processes. For highly ordered input structures with a bad load balance, setting this flag to TRUE might improve.

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