Accelerating Molecular Dynamics with the Lennard-Jones potential for FPGAs
Publikation: Bidrag til bog/antologi/rapport › Konferencebidrag i proceedings › Forskning › fagfællebedømt
The requirements for more advanced, longer, and more precise molecular dynamics simulations are greater than ever. Even though we are better at optimizing and have more computational power than previously, there is also a continuing need to make simulations even faster, more reliable, and cheaper to run. In this paper, we are presenting a method for running a molecular dynamics simulation on an FPGA device by using Synchronous Message Exchange. The molecular dynamics simulation presented in this paper is a basic simulation using the Lennard-Jones potential. It is a work in progress, but the results are promising compared to a Python implementation using matrix calculations. We present a proof of concept of an initial solution and its performance provides results that make us believe that a full molecular dynamics implementation would be feasible and competitive.
Originalsprog | Engelsk |
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Titel | Proceedings - 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 |
Antal sider | 8 |
Forlag | IEEE |
Publikationsdato | 2021 |
ISBN (Elektronisk) | 9781728166834 |
DOI | |
Status | Udgivet - 2021 |
Begivenhed | 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 - Virtual, San Diego, USA Varighed: 25 apr. 2021 → 28 apr. 2021 |
Konference
Konference | 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 |
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Land | USA |
By | Virtual, San Diego |
Periode | 25/04/2021 → 28/04/2021 |
Bibliografisk note
Funding Information:
This work was supported in parts by PRACE 6IP.
Publisher Copyright:
© 2021 IEEE.
ID: 282095449