Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers.
Barbara CollignonRoland SchulzJeremy C. SmithJérôme BaudryPublished in: J. Comput. Chem. (2011)
Keyphrases
- message passing interface
- parallel implementation
- graphics processing units
- parallel computers
- parallel algorithm
- parallel processing
- massively parallel
- parallel programming
- distributed memory
- high performance computing
- parallel architectures
- message passing
- shared memory
- parallel execution
- parallel computing
- parallel computation
- general purpose
- efficient implementation
- high end
- real time
- computer systems
- hardware design
- data management
- programming language
- query processing