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Parallel fast Fourier transforms for electronic structure
Peter D. Haynes - Michel Côté
Theory of Condensed Matter, Cavendish Laboratory, Madingley
Road, Cambridge, CB3 0HE, U.K.
We present a new method for performing fast Fourier transforms for
electronic structure calculations on parallel computers which
minimises the latency cost involved in communication between nodes. We
compare the new and traditional methods in theory and in practice, and
thus suggest the conditions under which the new method will be more
efficient than current methods.
PACS numbers: 71.15.Ap, 02.70.Hm