By Topic

Performance analysis and optimization of a parallel carbon molecular dynamic code on a Cray T3E

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)
Horoi, M. ; Dept. of Phys., Central Michigan Univ., Mount Pleasant, MI, USA ; Enbody, R.J.

An analysis of the primary factors influencing the performance of a parallel implementation on a Cray T3E of a Carbon Molecular Dynamics code developed at Department of Physics and Astronomy at Michigan State University is presented. We show that classical load-sharing techniques combined with careful analysis of Amdahl's law can be successfully used to significantly increase the performance of the code. This report describes the quantitative analysis of these factors and the solutions used to diminish or eliminate their effects. By slightly modifying the code we reduced its sequential portion to less than 0.1%. We also demonstrate that the MPI collective communications implementation on the Cray T3E dramatically reduces the communication overhead for our code. In the end, a speedup of 170 was obtained using 256 Cray T3E processing elements. These results create the prospect of simulating the dynamics of 1,000-atom nanotubes in the microsecond regime (≈1,000,000 time steps)

Published in:

Parallel Processing, 1998. Proceedings. 1998 International Conference on

Date of Conference:

10-14 Aug 1998