Name
Title | ||
|---|---|---|
Scaling molecular dynamics to 3000 processors with projections: a performance analysis case study |
Abstract | ||
|---|---|---|
Some of the most challenging applications to parallelize scalably are the ones that present a relatively small amount of computation per iteration. Multiple interacting performance challenges must be identified and solved to attain high parallel efficiency in such cases. We present a case study involving NAMD, a parallel molecular dynamics application, and efforts to scale it to run on 3000 processors with Tera-FLOPS level performance. NAMD is implemented in Charm++, and the performance analysis was carried out using "projections", the performance visualization/analysis tool associated with Charm++. We will showcase a series of optimizations facilitated by projections. The resultant performance of NAMD led to a Gordon Bell award at SC2002. |
Year | DOI | Venue |
|---|---|---|
2003 | 10.1007/3-540-44864-0_3 | International Conference on Computational Science |
Keywords | Field | DocType |
performance analysis,high parallel efficiency,analysis tool,resultant performance,performance visualization,gordon bell award,performance analysis case study,tera-flops level performance,case study,parallel molecular dynamics application,multiple interacting performance challenge,visual analysis,molecular dynamic | Load balancing (computing),Visualization,Computer science,Parallel computing,Molecular dynamics,Scaling,Distributed computing,Idle time,Computation | Conference |
Volume | ISSN | ISBN |
2660 | 0302-9743 | 3-540-40197-0 |
Citations | PageRank | References |
20 | 2.69 | 5 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Laxmikant V. Kalé | 1 | 1903 | 168.50 |
| Sameer Kumar | 2 | 112 | 10.03 |
| Gengbin Zheng | 3 | 829 | 55.03 |
| Chee Wai Lee | 4 | 61 | 7.16 |