Parallel three-dimensional nonequispaced fast Fourier transforms and their application to particle simulation Starting from an approved serial algorithm, we develop a new parallel algorithm for calculating nonequispaced fast Fourier transforms on massively parallel distributed memory architectures. We demonstrate how to deal with the inherent load imbalance of the serial algorithm due to the use of oversampled FFT. This algorithm has been implemented in a new open source software library called PNFFT. Furthermore, we derive a new parallel distributed memory algorithm for the fast computation of fully Coulomb interactions in a charged particle system with nonperiodic boundary conditions based on a particle-mesh approximation scheme. We show that an appropriate adjustment of the underlying parallel nonequispaced fast Fourier transform circumvents severe load imbalance due to particle scaling. To prove the high scalability of our algorithms we provide performance results on a BlueGene/P system using up to 65536 cores.
Keywords for this software
References in zbMATH (referenced in 7 articles , 1 standard article )
Showing results 1 to 7 of 7.
- Plonka, Gerlind; Potts, Daniel; Steidl, Gabriele; Tasche, Manfred: Numerical Fourier analysis (2018)
- Hofmann, Michael; Nestler, Franziska; Pippig, Michael: NFFT based Ewald summation for electrostatic systems with charges and dipoles (2017)
- Keim, Christopher; Wendland, Holger: A high-order, analytically divergence-free approximation method for the time-dependent Stokes problem (2016)
- Nestler, Franziska: Automated parameter tuning based on RMS errors for nonequispaced FFTs (2016)
- Nestler, Franziska: An NFFT based approach to the efficient computation of dipole-dipole interactions under various periodic boundary conditions (2016)
- Nestler, Franziska; Pippig, Michael; Potts, Daniel: Fast ewald summation based on NFFT with mixed periodicity (2015)
- Pippig, Michael; Potts, Daniel: Parallel three-dimensional nonequispaced fast Fourier transforms and their application to particle simulation (2013)