Application benchmark codes and cases

Phase 1

Gromacs
- EAG1 membrane protein (strong scaling)
- Membrane protein Aquaporin (throughput)
Nek5000
- Pipe simulation case (strong scaling)
VASP
- Standard case GaAsBi with 512 atoms (throughput)
PowerFLOW
- BC_01 (throughput)
Synthetic benchmarks

Scania option

Converge
- Scania test case (strong scaling)
- This benchmark will only be used to decide size of the option for the collaboration with Scania.

Phase 2

Gromacs
- EAG1 membrane protein (strong scaling)
- Membrane protein Aquaporin (throughput)
PyFR
- NACA0021 Aerofoil single precision (strong scaling)
- NACA0021 Aerofoil double precision (strong scaling)
CP2K-Quickstep
- Linear scaling DFT, standard case (throughput)
Synthetic benchmarks