Scaling Molecular Dynamics to 3000 Processors with Projections: A Performance Analysis Case Study.
Laxmikant V. KaléSameer KumarGengbin ZhengChee Wai LeePublished in: International Conference on Computational Science (2003)
Keyphrases
- molecular dynamics
- case study
- high performance computing
- molecular dynamics simulations
- parallel algorithm
- scientific data
- parallel computing
- three dimensional
- computing systems
- massively parallel
- software development
- grid computing
- protein folding
- computing environments
- energy efficiency
- computing resources
- information systems