---
_id: '5417'
abstract:
- lang: eng
  text: "Molecular Dynamic (MD) simulations are computationally intensive and accelerating
    them using specialized hardware is a topic of investigation in many studies. One
    of the routines in the critical path of MD simulations is the three-dimensional
    Fast Fourier Transformation (FFT3d). The potential in accelerating FFT3d using
    hardware is usually bound by bandwidth and memory. Therefore, designing a high
    throughput solution for an FPGA that overcomes this problem is challenging.\r\nIn
    this thesis, the feasibility of offloading FFT3d computations to FPGA implemented
    using OpenCL is investigated. In order to mask the latency in memory access, an
    FFT3d that overlaps computation with communication is designed. The implementa-
    tion of this design is synthesized for the Arria 10 GX 1150 FPGA and evaluated
    with the FFTW benchmark. Analysis shows a better performance using FPGA over CPU
    for larger FFT sizes, with the 643 FFT showing a 70% improvement in runtime using
    FPGAs.\r\nThis FFT3d design is integrated with CP2K to explore the potential in
    accelerating molecular dynamic simulations. Evaluation of CP2K simulations using
    FPGA shows a 41% improvement in runtime in FFT3d computations over CPU for larger
    FFT3d designs."
author:
- first_name: Arjun
  full_name: Ramaswami, Arjun
  id: '49171'
  last_name: Ramaswami
  orcid: https://orcid.org/0000-0002-0909-1178
citation:
  ama: Ramaswami A. <i>Accelerating Molecular Dynamic Simulations by Offloading Fast
    Fourier Transformations to FPGA</i>. Universität Paderborn; 2018.
  apa: Ramaswami, A. (2018). <i>Accelerating Molecular Dynamic Simulations by Offloading
    Fast Fourier Transformations to FPGA</i>. Universität Paderborn.
  bibtex: '@book{Ramaswami_2018, title={Accelerating Molecular Dynamic Simulations
    by Offloading Fast Fourier Transformations to FPGA}, publisher={Universität Paderborn},
    author={Ramaswami, Arjun}, year={2018} }'
  chicago: Ramaswami, Arjun. <i>Accelerating Molecular Dynamic Simulations by Offloading
    Fast Fourier Transformations to FPGA</i>. Universität Paderborn, 2018.
  ieee: A. Ramaswami, <i>Accelerating Molecular Dynamic Simulations by Offloading
    Fast Fourier Transformations to FPGA</i>. Universität Paderborn, 2018.
  mla: Ramaswami, Arjun. <i>Accelerating Molecular Dynamic Simulations by Offloading
    Fast Fourier Transformations to FPGA</i>. Universität Paderborn, 2018.
  short: A. Ramaswami, Accelerating Molecular Dynamic Simulations by Offloading Fast
    Fourier Transformations to FPGA, Universität Paderborn, 2018.
date_created: 2018-11-07T16:08:32Z
date_updated: 2022-01-12T16:32:23Z
ddc:
- '000'
department:
- _id: '27'
- _id: '518'
file:
- access_level: closed
  content_type: application/pdf
  creator: arjunr
  date_created: 2020-06-15T11:29:38Z
  date_updated: 2020-06-15T11:29:38Z
  file_id: '17093'
  file_name: masterthesis.pdf
  file_size: 1297585
  relation: main_file
  success: 1
file_date_updated: 2020-06-15T11:29:38Z
has_accepted_license: '1'
keyword:
- 'FFT: FPGA'
- CP2K
- OpenCL
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
project:
- _id: '1'
  name: SFB 901
- _id: '4'
  name: SFB 901 - Project Area C
- _id: '14'
  name: SFB 901 - Subproject C2
publisher: Universität Paderborn
status: public
supervisor:
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
title: Accelerating Molecular Dynamic Simulations by Offloading Fast Fourier Transformations
  to FPGA
type: mastersthesis
user_id: '49171'
year: '2018'
...