Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes.
Emanuele VitaliDavide GadioliGianluca PalermoAndrea BeccariCarlo CavazzoniCristina SilvanoPublished in: CoRR (2019)
Keyphrases
- high performance computing
- molecular dynamics
- massively parallel
- scientific computing
- mobile applications
- shortest path
- directed graph
- fault tolerance
- parallel computing
- dna computing
- user experience
- graph structure
- three dimensional
- computing systems
- grid computing
- drug discovery
- shared memory
- energy efficiency
- query processing