Performance metrics in a hybrid MPI-OpenMP based molecular dynamics simulation with short-range interactions.
Anirban PalAbhishek AgarwalaSoumyendu RahaBaidurya BhattacharyaPublished in: CoRR (2015)
Keyphrases
- molecular dynamics
- high performance computing
- short range
- long range
- long range interactions
- molecular dynamics simulations
- massively parallel
- wireless communication
- computing systems
- parallel computing
- computing resources
- grid computing
- fault tolerance
- energy efficiency
- computing environments
- machine learning
- fluid flow
- computer systems
- resource management
- fault tolerant
- load balancing
- conditional random fields
- graph cuts