Maximizing resource usage in multifold molecular dynamics with rCUDA.
Javier PradesBaldomero ImbernónCarlos ReañoJorge Peña-GarcíaJosé Pedro Cerón-CarrascoFederico SillaHoracio Pérez SánchezPublished in: Int. J. High Perform. Comput. Appl. (2020)
Keyphrases
- resource usage
- molecular dynamics
- resource management
- resource allocation
- resource consumption
- high performance computing
- molecular dynamics simulations
- protein folding
- scientific data
- real time
- databases
- resource sharing
- data generation
- fluid flow
- massively parallel
- solution quality
- response time
- management system
- data analysis
- database