Keyword type



This keyword determines the parallelization strategy used. Available options are:

The Default setting is appropriate in most situations.

The Kpoint option is available only when the number of processors is a factor of the number of k-points.

The Gvector option is appropriate for calculations involving large systems where often only one k-point is used.

The Mixed option is available when the number of processors and the number of k-points have a common factor (for example 6 k-points and 4 processors).

The differences in the scaling properties of the different schemes dictate the number of processors that should be used. For example, a calculation that uses 16 k-points is likely to finish faster on 4 processors (using Kpoint distribution) than on 6 processors (using Mixed distribution) and most likely faster than on 9 processors (using Gvector distribution).




See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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