Architecture of an FPGA accelerator for molecular dynamics simulation using OpenCL

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

11 Citations (Scopus)

Abstract

Molecular dynamics (MD) simulations are very important to study physical properties of the atoms and molecules. However, a huge amount of processing time is required to simulate a few nano-seconds of an actual experiment. Although the hardware acceleration using FPGAs provides promising results, huge design time and hardware design skills are required to implement an accelerator successfully. In this paper, we propose an FPGA accelerator designed using C-based OpenCL. We achieved over 4.6 times of speed-up compared to CPU-based processing, by using only 36% of the Stratix V FPGA resources. Maximum of 18.4 times speed-up is possible by using 80% of the FPGA resources.

Original languageEnglish
Title of host publication2016 IEEE/ACIS 15th International Conference on Computer and Information Science, ICIS 2016 - Proceedings
EditorsKuniaki Uehara, Masahide Nakamura
PublisherInstitute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)9781509008063
DOIs
Publication statusPublished - 2016 Aug 23
Event15th IEEE/ACIS International Conference on Computer and Information Science, ICIS 2016 - Okayama, Japan
Duration: 2016 Jun 262016 Jun 29

Publication series

Name2016 IEEE/ACIS 15th International Conference on Computer and Information Science, ICIS 2016 - Proceedings

Conference

Conference15th IEEE/ACIS International Conference on Computer and Information Science, ICIS 2016
Country/TerritoryJapan
CityOkayama
Period16/6/2616/6/29

Keywords

  • hardware acceleration
  • molecular dynamics simulation
  • OpenCL for FPGA
  • scientific computing

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