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@misc{1137465,
author = {Pazúriková, Jana and Matyska, Luděk},
keywords = {molecular dynamics; long-range interaction; parallel in time},
language = {eng},
publisher = {arXiv},
title = {Parallel methods for calculation of long-range electrostatic interactions},
url = {http://arxiv.org/pdf/1309.1889v2.pdf},
year = {2013}
}
TY - GEN
ID - 1137465
AU - Pazúriková, Jana - Matyska, Luděk
PY - 2013
TI - Parallel methods for calculation of long-range electrostatic interactions
PB - arXiv
KW - molecular dynamics
KW - long-range interaction
KW - parallel in time
UR - http://arxiv.org/pdf/1309.1889v2.pdf
L2 - http://arxiv.org/pdf/1309.1889v2.pdf
N2 - 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.
ER -
PAZÚRIKOVÁ, Jana a Luděk MATYSKA. \textit{Parallel methods for calculation of long-range electrostatic interactions}. Online. arXiv, 2013. 18 s. [citováno 2024-04-24]
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