Flexibly imposing periodicity in kernel independent FMM

A multipole-to-local operator approach

Wen Yan, Michael Shelley

Research output: Contribution to journalArticle

Abstract

An important but missing component in the application of the kernel independent fast multipole method (KIFMM) is the capability for flexibly and efficiently imposing singly, doubly, and triply periodic boundary conditions. In most popular packages such periodicities are imposed with the hierarchical repetition of periodic boxes, which may give an incorrect answer due to the conditional convergence of some kernel sums. Here we present an efficient method to properly impose periodic boundary conditions using a near-far splitting scheme. The near-field contribution is directly calculated with the KIFMM method, while the far-field contribution is calculated with a multipole-to-local (M2L) operator which is independent of the source and target point distribution. The M2L operator is constructed with the far-field portion of the kernel function to generate the far-field contribution with the downward equivalent source points in KIFMM. This method guarantees the sum of the near-field & far-field converge pointwise to results satisfying periodicity and compatibility conditions. The computational cost of the far-field calculation observes the same O(N) complexity as FMM and is designed to be small by reusing the data computed by KIFMM for the near-field. The far-field calculations require no additional control parameters, and observes the same theoretical error bound as KIFMM. We present accuracy and timing test results for the Laplace kernel in singly periodic domains and the Stokes velocity kernel in doubly and triply periodic domains.

Original languageEnglish (US)
Pages (from-to)214-232
Number of pages19
JournalJournal of Computational Physics
Volume355
DOIs
StatePublished - Feb 15 2018

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multipoles
far fields
periodic variations
Boundary conditions
operators
near fields
boundary conditions
Costs
kernel functions
compatibility
point sources
boxes
repetition
time measurement
costs

Keywords

  • Ewald summation
  • Kernel independent fast multipole method
  • Periodic boundary conditions

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)
  • Computer Science Applications

Cite this

Flexibly imposing periodicity in kernel independent FMM : A multipole-to-local operator approach. / Yan, Wen; Shelley, Michael.

In: Journal of Computational Physics, Vol. 355, 15.02.2018, p. 214-232.

Research output: Contribution to journalArticle

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