A Fast Parallel Implementation of Molecular Dynamics with the Morse Potential on a Heterogeneous Petascale Supercomputer.
Qiang WuCanqun YangFeng WangJingling XuePublished in: IPDPS Workshops (2012)
Keyphrases
- parallel implementation
- molecular dynamics
- high performance computing
- message passing interface
- massively parallel
- parallel computers
- parallel computing
- molecular dynamics simulations
- scientific data
- computing systems
- hardware and software
- computer architecture
- building blocks
- parallel implementations
- data analysis
- grid computing
- distributed computing
- floating point
- energy efficiency
- fluid flow
- response time