A Fully Traceless Cartesian Multipole Formulation for the Distributed Fast Multipole Method. (arXiv:1811.06332v1 [physics.comp-ph])
<a href="http://arxiv.org/find/physics/1/au:+Coles_J/0/1/0/all/0/1">Jonathan P. Coles</a>, <a href="http://arxiv.org/find/physics/1/au:+Bieri_R/0/1/0/all/0/1">Rebekka Bieri</a>
We present efficient operators for the fast multipole method (FMM) based on
totally symmetric and traceless Cartesian multipole tensors, which have been
designed to translate well into computer code. Using the traceless tensor form
significantly reduces memory usage and network communication traffic for
large-scale applications in molecular dynamics and astrophysics. We have also
developed a software generator that symbolically produces, verifies, and
optimizes code for the FMM operators. The generator can easily produce
different forms of the operators more suitable to specific applications. In
realistic tests of biophysical simulations we observe a 20% speed-up,
demonstrating the efficiency and improved performance of these routines
compared to non-traceless tensor operators.
We present efficient operators for the fast multipole method (FMM) based on
totally symmetric and traceless Cartesian multipole tensors, which have been
designed to translate well into computer code. Using the traceless tensor form
significantly reduces memory usage and network communication traffic for
large-scale applications in molecular dynamics and astrophysics. We have also
developed a software generator that symbolically produces, verifies, and
optimizes code for the FMM operators. The generator can easily produce
different forms of the operators more suitable to specific applications. In
realistic tests of biophysical simulations we observe a 20% speed-up,
demonstrating the efficiency and improved performance of these routines
compared to non-traceless tensor operators.
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