Scheduled System Maintenance:
On May 6th, single article purchases and IEEE account management will be unavailable from 8:00 AM - 5:00 PM ET (12:00 - 21:00 UTC). We apologize for the inconvenience.
By Topic

Dynamic load balancing schemes for computing accessible surface area of protein molecules

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

3 Author(s)
Suh, E. ; Center for Inf. Technol., Nat. Inst. of Health, Bethesda, MD, USA ; Narahari, B. ; Simha, R.

This paper presents an experimental study of dynamic load balancing methods for a parallelized solution to a well-known problem in computational molecular biology: computing the accessible surface areas (ASA) of proteins. The main contribution is a better understanding of how certain techniques for load estimation and redistribution must be combined carefully for effectiveness and how these combinations need to change during the course of a computation. In particular, the Shrake-Rupley ASA algorithm is implemented and three aspects of dynamic load balancing are studied: how to estimate load imbalance (the estimation problem); when to invoke load redistribution (the invocation problem); and how to load balance (the mapping problem). The results in this paper show that a dynamically-selected mix of algorithms in each category that adapts to changing structure within the protein works better than a static periodic application of a static mix of algorithms

Published in:

High Performance Computing, 1998. HIPC '98. 5th International Conference On

Date of Conference:

17-20 Dec 1998