Title
Design and performance analysis of a distributed HPC molecular dynamics code on distributed resources
Abstract
Molecular Dynamics (MD) is an important step towards understanding the behavior of biological systems. Even though, the state-of-the-art computational resource and techniques have made it feasible to do large-scale MD simulations, MD remains a very compute-intensive job, especially for large realistic systems. Thus there exists interest in developing and understanding the performance of MD code on multiple distributed HPC resources. To realize this goal, we have developed a preliminary parallel and distributed MD code and benchmarked it on the LONI (Louisiana Optical Network Interface) grid, which uses dedicated light-path networks to connect supercomputers across Louisiana.
Year
DOI
Venue
2008
10.1145/1341811.1341835
Mardi Gras Conference
Keywords
Field
DocType
performance analysis,molecular dynamics,louisiana optical network interface,hpc molecular dynamics code,hpc resource,large-scale md simulation,compute-intensive job,large realistic system,biological system,md code,important step,light-path network,biological systems,molecular dynamic
Computer science,Molecular dynamics,Grid,Computational resource,Network interface,Distributed computing
Conference
Citations 
PageRank 
References 
0
0.34
1
Authors
2
Name
Order
Citations
PageRank
Promita Chakraborty122.11
S. Jha27921539.19