Macs in Chemistry

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Gigaelement FFTs on x86-based Apple clusters

Gigaelement FFTs on x86-based Apple clusters
Abstract: This paper is an update to previous work on the use of computational nodes for very large Fast Fourier Transforms (FFTs). Test code has been updated for Intel-based hardware — again using the OS X Accelerate framework for all component-FFTs — while new performance measurements are provided for a canonical x86 hardware configuration. These more modern tests exhibit considerable speed advantages. A performance example is this: One can sustain > 2 gigaflops real-time for double-precision gigaelement (length-230-complex) FFTs on a 4-machine cluster.
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