Abstract
We present a simple out-of-core algorithm for computing the Fast-Fourier Transform (FFT) needed to determine the two-dimensional potential of surface crystals with large-scale features, like faults, at ultra-high resolution, with around 109 grid points. This algorithm represents a proof of concept that a simple and easy-to-code, out-of-core algorithm can be easily implemented and used to solve large-scale problems on low-cost hardware. The main novelties of our algorithm are: (1) elapsed and I/O times decrease with the number of single records (lines) being read; (2) only basic reading and writing routines is necessary for making the out-of-core access. Our method can be easily extended to 3D and be applied to many grand-challenge problems in science and engineering, such as fluid dynamics.
Original language | English (US) |
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Pages (from-to) | 198-208 |
Number of pages | 11 |
Journal | Computer Physics Communications |
Volume | 168 |
Issue number | 3 |
DOIs | |
State | Published - Jun 15 2005 |
Keywords
- Crystal lattice
- Out-of-core FFT
- Poisson equation