Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor.
Eric J. BylaskaMathias JacquelinWibe A. de JongJeff R. HammondMichael KlemmPublished in: ISC Workshops (2017)
Keyphrases
- distributed environment
- molecular dynamics
- intel xeon
- high performance computing
- molecular dynamics simulations
- massively parallel
- grid computing
- intelligent agents
- parallel computing
- computing systems
- peer to peer
- fault tolerance
- computing resources
- energy efficiency
- formal methods
- computing environments
- energy consumption