Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.
Xiaohua ZhangSergio E. WongFelice C. LightstonePublished in: J. Comput. Chem. (2013)
Keyphrases
- high performance computing
- message passing interface
- multithreading
- parallel computing
- massively parallel
- parallel machines
- processing units
- shared memory
- parallel programming
- computing systems
- computer architecture
- parallel computers
- computing resources
- grid computing
- databases
- field programmable gate array
- parallel computation
- parallel architectures
- computing environments
- energy efficiency
- graphics processing units
- fault tolerance
- real time
- message passing
- intelligent agents
- parallel execution
- image segmentation