Scaling applications to massively parallel machines using projections performance analysis tool (2005)
| Venue: | In Future Generation Computer Systems Special Issue on: Large-Scale System Performance Modeling and Analysis |
| Citations: | 7 - 4 self |
BibTeX
@INPROCEEDINGS{Kalé05scalingapplications,
author = {Laxmikant V. Kalé and Gengbin Zheng and Chee Wai Lee and Sameer Kumar},
title = {Scaling applications to massively parallel machines using projections performance analysis tool},
booktitle = {In Future Generation Computer Systems Special Issue on: Large-Scale System Performance Modeling and Analysis},
year = {2005},
pages = {347--358},
publisher = {Elsevier Science Publishers}
}
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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 case studies involving NAMD, a parallel classic molecular dynamics application for large biomolecular systems, and CPAIMD, Car-Parrinello ab initio molecular dynamics application, and efforts to scale them to large number of processors. Both applications are 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 with unprecedented speedup on 3,000 processors with teraflops level peak performance. We also explore the techniques for applying the performance visualization/analysis tool on future generation extreme-scale parallel machines and discuss the scalability issues with Projections. 1
