Cart (Loading....) | Create Account
Close category search window
 

Compiled hardware acceleration of Molecular Dynamics code

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$31 $13
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

2 Author(s)
Villarreal, J. ; Dept. of Comput. Sci. & Eng., Univ. of California, Riverside, CA ; Najjar, W.A.

The objective of molecular dynamics (MD) simulations is to determine the shape of a molecule in a given biomolecular environment. These simulations are very demanding computationally, where simulations of a few milliseconds can take days or months depending on the number of atoms involved. Therefore, MD simulations are a prime candidate for FPGA-based code acceleration. We have investigated the possible acceleration of the commonly used MD program NAMD. This code is highly optimized for software based execution and does not benefit from an FPGA-based acceleration as written. We have therefore developed a modified version, based on the calculations NAMD performs, that streams a set of data through a highly pipelined circuit on the FPGA. We have used the ROCCC compiler toolset to generate the circuit and implemented it on the SGI Altix 4700 fitted with a RASC RC100 blade.

Published in:

Field Programmable Logic and Applications, 2008. FPL 2008. International Conference on

Date of Conference:

8-10 Sept. 2008

Need Help?


IEEE Advancing Technology for Humanity About IEEE Xplore | Contact | Help | Terms of Use | Nondiscrimination Policy | Site Map | Privacy & Opting Out of Cookies

A not-for-profit organization, IEEE is the world's largest professional association for the advancement of technology.
© Copyright 2014 IEEE - All rights reserved. Use of this web site signifies your agreement to the terms and conditions.