Breaking Down the Parallel Performance of GROMACS, a High-Performance Molecular Dynamics Software.
Måns I. AnderssonNatarajan Arul MuruganArtur PodobasStefano MarkidisPublished in: CoRR (2022)
Keyphrases
- molecular dynamics
- distributed memory
- software systems
- high performance computing
- scientific data
- software development
- source code
- distributed systems
- data collection
- massively parallel
- shared memory
- molecular dynamics simulations
- coarse grained
- software developers
- cost effective
- fine grained
- computer systems
- data processing
- data management