Title
Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.
Abstract
In this article a procedure is derived to obtain a performance gain for molecular dynamics (MD) simulations on existing parallel clusters. Parallel clusters use a wide array of interconnection technologies to connect multiple processors together, often at different speeds, such as multiple processor computers and networking. It is demonstrated how to configure existing programs for MD simulations to efficiently handle collective communication on parallel clusters with processor interconnections of different speeds.
Year
DOI
Venue
2004
10.1021/ci034261e
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Field
DocType
Volume
Cluster (physics),Computer science,Parallel computing,Collective communication,Molecular dynamics,Interconnection
Journal
44
Issue
ISSN
Citations 
2
0095-2338
3
PageRank 
References 
Authors
0.78
0
3
Name
Order
Citations
PageRank
Urban Borstnik1263.43
Milan Hodoscek2609.90
Dusanka Janezic320534.72