Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions

Theresa Werner, Ivo Kabadshow, Matthias Werner

2022

Abstract

Molecular dynamics simulations (MDS), no matter in which form, have always spent a lot of effort on the time-consuming part of direct particle-to-particle interactions (O(N 2 )). Even if the interaction radius of each particle is limited, it remains the most time-critical part, especially when increasing the number of compute nodes to calculate on. This Systematic Literature Review (SLR) focuses on the spatial decomposition approach to MDS and ways to optimize its data exchange. We gathered and compared available concepts related to range-limited interactions and investigated whether they show similarities and how those can be categorized. Based on the findings, we can summarize that all communication schemes are derived from the same basic idea, the so-called shift communication. The concepts differ in which data is communicated and how nodes calculate the forces between particle pairs. Two categories can be distinguished here: home-box-centric and neutral territory methods.

Paper Citation

in Harvard Style

Werner T., Kabadshow I. and Werner M. (2022). Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions. In Proceedings of the 12th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH, ISBN 978-989-758-578-4, pages 218-225. DOI: 10.5220/0011144400003274

in Bibtex Style

@conference{simultech22,
author={Theresa Werner and Ivo Kabadshow and Matthias Werner},
title={Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions},
booktitle={Proceedings of the 12th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,},
year={2022},
pages={218-225},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0011144400003274},
isbn={978-989-758-578-4},
}

in EndNote Style

TY - CONF

JO - Proceedings of the 12th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,
TI - Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions
SN - 978-989-758-578-4
AU - Werner T.
AU - Kabadshow I.
AU - Werner M.
PY - 2022
SP - 218
EP - 225
DO - 10.5220/0011144400003274