Name
Title | ||
|---|---|---|
Studying Protein Folding On The Grid: Experiences Using Charmm On Npaci Resources Under Legion |
Abstract | ||
|---|---|---|
One benefit of a computational Grid is the ability to run high-performance applications over distributed resources simply and securely. We demonstrated this benefit with an experiment in which we studied the protein-folding process with the CHARMM molecular simulation package over a Grid managed by Legion, a Grid operating system. High-performance applications can take advantage of Grid resources if the Grid operating system provides both low-level functionality as well as high-level services. We describe the nature of services provided by Legion for high-performance applications. Our experiences indicate that human factors continue to play a crucial role in the configuration of Grid resources, underlying resources can be problematic, Grid services must tolerate underlying problems or inform the user, and high-level services must continue to evolve to meet user requirements. Our experiment not only helped a scientist perform an important study, but also showed the viability of an integrated approach such as Legion's for managing a Grid. Copyright (C) 2004 John Wiley Sons, Ltd. |
Year | DOI | Venue |
|---|---|---|
2004 | 10.1002/cpe.763 | CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE |
Keywords | Field | DocType |
Legion, computational grid, CHARMM, protein folding | Grid computing,Molecular simulation,Computer science,Semantic grid,User requirements document,Grid,Grid resources,Distributed computing | Journal |
Volume | Issue | ISSN |
16 | 4 | 1532-0626 |
Citations | PageRank | References |
17 | 1.26 | 3 |
Authors | ||
7 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Anand Natrajan | 1 | 144 | 12.79 |
| Michael Crowley | 2 | 36 | 9.89 |
| Nancy Wilkins-Diehr | 3 | 249 | 38.15 |
| Marty Humphrey | 4 | 1922 | 147.55 |
| Anthony D. Fox | 5 | 79 | 5.18 |
| Andrew S. Grimshaw | 6 | 1021 | 223.78 |
| Charles L. Brooks III | 7 | 1198 | 126.06 |