KPAR: Difference between revisions
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The set of '''k'''-points is distributed over {{TAG|KPAR}} groups of compute cores, in a round-robin fashion. | The set of '''k'''-points is distributed over {{TAG|KPAR}} groups of compute cores, in a round-robin fashion. | ||
This means that a number of | This means that a number of ''N''=(# of cores/{{TAG|KPAR}}) compute cores together work on an individual '''k'''-point (choose {{TAG|KPAR}} such that it is an integer divisor of the total number of cores). | ||
Within this group of | 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 {{TAG|NCORE}} and {{TAG|NPAR}} tags). | ||
'''Note''': the data is not distributed additionally over '''k'''-points. | '''Note''': the data is not distributed additionally over '''k'''-points. | ||
Revision as of 19:57, 25 September 2012
KPAR = [integer]
Default: KPAR = 1
Description: KPAR is the number of k-points that are to be treated in parallel.
The set of k-points is distributed over KPAR groups of compute cores, in a round-robin fashion. This means that a number 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.