AMBERCUBE MD, parallelization of Amber's molecular dynamics module for distributed-memory hypercube computers.
Stephen E. DeBoltPeter A. KollmanPublished in: J. Comput. Chem. (1993)
Keyphrases
- distributed memory
- molecular dynamics
- shared memory
- parallel algorithm
- parallel implementation
- parallel computation
- ibm sp
- high performance computing
- scientific data
- multiprocessor systems
- molecular dynamics simulations
- parallel computing
- protein folding
- parallel computers
- data parallelism
- parallel machines
- computer systems
- fluid flow
- massively parallel
- coarse grained
- parallel programming