Opendda: A novel high-performance computational framework for the discrete dipole approximation

James Mc Donald, Aaron Golden, S. Gerard Jennings

Research output: Contribution to journalArticle

17 Scopus citations

Abstract

This work presents a highly optimized computational framework for the Discrete Dipole Approximation, a numerical method for calculating the optical properties associated with a target of arbitrary geometry that is widely used in atmospheric, astrophysical and industrial simulations. Core optimizations include the bit-fielding of integer data and iterative methods that complement a new Discrete Fourier Transform (DFT) kernel, which efficiently calculates the matrix' vector products required by these iterative solution schemes. The new kernel performs the requisite 3-D DFTs as ensembles of 1-D transforms, and by doing so, is able to reduce the number of constituent 1-D transforms by 60% and the memory by over 80%. The optimizations also facilitate the use of parallel techniques to further enhance the performance. Complete OpenMP-based shared-memory and MPI-based distributed-memory implementations have been created to take full advantage of the various architectures. Several benchmarks of the new framework indicate extremely favorable performance and scalability.

Original languageEnglish (US)
Pages (from-to)42-61
Number of pages20
JournalInternational Journal of High Performance Computing Applications
Volume23
Issue number1
DOIs
StatePublished - Mar 1 2009

Keywords

  • CG-FFT
  • Discrete dipole approximation
  • Matrix-vector product
  • Optimization
  • Parallel algorithm

ASJC Scopus subject areas

  • Software
  • Theoretical Computer Science
  • Hardware and Architecture

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