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: integer = -1

Usage: BLOCK_SIZE 4

Determines the blocking used for the atomic quartet loops. A proper choice can speedup the calculation. The default (-1) is automatic. [Edit on GitHub]

NBINS: integer = 64

Usage: NBINS 32

Number of bins per process used to group atom quartets. [Edit on GitHub]

RANDOMIZE: logical = F

Usage: RANDOMIZE TRUE

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. [Edit on GitHub]