Automatic Generation of FFT for Translations of Multipole Expansions in Spherical Harmonics
2008 (English)In: The international journal of high performance computing applications, ISSN 1094-3420, E-ISSN 1741-2846, Vol. 22, no 2, 219-230 p.Article in journal (Refereed) Published
The fast multipole method (FMM) is an efficient algorithm for calculating electrostatic interactions in molecular simulations and a promising alternative to Ewald summation methods. Translation of multipole expansion in spherical harmonics is the most important operation of the fast multipole method and the fast Fourier transform (FFT) acceleration of this operation is among the fastest methods of improving its performance. The technique relies on highly optimized implementation of fast Fourier transform routines for the desired expansion sizes, which need to incorporate the knowledge of symmetries and zero elements in the input arrays. Here a method is presented for automatic generation of such, highly optimized, routines.
Place, publisher, year, edition, pages
2008. Vol. 22, no 2, 219-230 p.
fast multipole method, particle dynamics, spherical harmonics, fast Fourier transform, automatic code generation
Computer and Information Science
IdentifiersURN: urn:nbn:se:kth:diva-59782DOI: 10.1177/1094342008090915ISI: 000257940100007OAI: oai:DiVA.org:kth-59782DiVA: diva2:476313
QC 201201132012-01-112012-01-112012-01-13Bibliographically approved