HPF Parallelization of a Molecular Dynamics Code: Strategies and Performances.
Beniamino Di MartinoMassimo CelinoVittorio RosatoPublished in: HPCN Europe (1999)
Keyphrases
- distributed memory
- molecular dynamics
- implementation details
- shared memory
- highly optimized
- scientific data
- molecular dynamics simulations
- parallel implementation
- source code
- parallel machines
- protein folding
- databases
- data generation
- high performance computing
- coarse grained
- message passing
- fine grained
- general purpose
- pairwise
- image sequences