Parallel-in-time method for calculation of long-range electrostatic interactions
Numerical Analysis
2013-10-21 v2 Distributed, Parallel, and Cluster Computing
Computational Physics
Abstract
Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space simulations, we suggest to calculate the bottleneck---the long-range interactions---parallel in time. This technical report aims to present the combination of parareal method and multilevel summation method. We thoroughly describe both methods and reasons for their particular combination. We also propose several optimizations that should provide the acceleration by an order of magnitude.
Cite
@article{arxiv.1309.1889,
title = {Parallel-in-time method for calculation of long-range electrostatic interactions},
author = {Jana Pazúriková and Luděk Matyska},
journal= {arXiv preprint arXiv:1309.1889},
year = {2013}
}