Performance metrics in a hybrid MPI-OpenMP based molecular dynamics simulation with short-range interactions.
Anirban PalAbhishek AgarwalaSoumyendu RahaBaidurya BhattacharyaPublished in: J. Parallel Distributed Comput. (2014)
Keyphrases
- molecular dynamics
- high performance computing
- short range
- long range
- molecular dynamics simulations
- long range interactions
- massively parallel
- wireless communication
- parallel computing
- computing systems
- computing resources
- fault tolerance
- grid computing
- scientific data
- computing environments
- image sequences
- parallel programming
- parallel algorithm
- fine grained