KPAR: Difference between revisions
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{{TAG|NCORE}}, | {{TAG|NCORE}}, | ||
{{TAG|NPAR}}, | {{TAG|NPAR}}, | ||
{{TAG|LPLANE}} | {{TAG|LPLANE}}, | ||
{{TAG|NSIM}} | |||
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Revision as of 21:04, 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.