KPAR: Difference between revisions

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{{TAG|NPAR}},
{{TAG|NPAR}},
{{TAG|LPLANE}},
{{TAG|LPLANE}},
{{TAG|LSCALU}},
{{TAG|NSIM}}
{{TAG|NSIM}}



Revision as of 21:22, 25 September 2012

KPAR = [integer]
Default: KPAR = 1 

Description: KPAR determines the number of k-points that are to be treated in parallel (available as of VASP.5.3.2).


The set of k-points is distributed over KPAR groups of compute cores, in a round-robin fashion. This means that a group of N=(# of cores/KPAR) compute cores together work on an individual k-point (choose KPAR such that it is an integer divisor of the total number of cores). Within this group of N cores that share the work on an individual k-point, the usual parallelism over bands and/or plane wave coefficients applies (as set by means of the NCORE and NPAR tags).

Note: the data is not distributed additionally over k-points.

Related Tags and Sections

NCORE, NPAR, LPLANE, LSCALU, NSIM


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