Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor.
Mathias JacquelinWibe A. de JongEric J. BylaskaPublished in: IPDPS (2017)
Keyphrases
- molecular dynamics
- highly scalable
- computer architecture
- high performance computing
- multi core processors
- molecular dynamics simulations
- parallel architectures
- graphics processing units
- scientific data
- parallel computing
- parallel processing
- protein folding
- massively parallel
- single instruction multiple data
- parallel programming
- parallel computers
- fluid flow
- computing systems
- computer systems
- theoretical analysis
- fault tolerance
- computing resources
- distributed systems
- energy efficiency
- databases