Conclusion

This small single-node benchmark demonstrates containerization using community images. The benchmarks are extracted from the gromacs-on-pcluster workshop. Please hop there to dive deeper.

execution spec instance Ranks x Threads ns/day
sarus gromacs@2021.1 ~mpi c5n.18xl 36 x 2 5.5
sarus gromacs@2021.1 ~mpi c5n.18xl 72 x 1 5.7
sarus gromacs@2021.1 +cuda ~mpi fftw precision=float g4dn.8xl 1 x 32 6.3

Complete picture

The table from May 2021 looks like this. Again, visit the conclusions in gromacs-on-pcluster for more insights.

# execution spec instance Ranks x Threads ns/day
1 native gromacs@2021.1 c5n.18xl 18 x 4 4.7
2 native gromacs@2021.1 c5n.18xl 36 x 2 5.3
3 native gromacs@2021.1 c5n.18xl 72 x 1 5.5
4 native gromacs@2021.1 ^intel-mkl c5n.18xl 36 x 2 5.4
5 native gromacs@2021.1 ^intel-mkl c5n.18xl 72 x 1 5.5
6 native gromacs@2021.1 ~mpi c5n.18xl 36 x 2 5.5
7 native gromacs@2021.1 ~mpi c5n.18xl 72 x 1 5.7
8 native gromacs@2021.1 +cuda ~mpi g4dn.8xl 1 x 32 6.3
9 sarus gromacs@2021.1 ~mpi c5n.18xl 36 x 2 5.5
10 sarus gromacs@2021.1 ~mpi c5n.18xl 72 x 1 5.7
11 sarus gromacs@2021.1 +cuda ~mpi fftw precision=float g4dn.8xl 1 x 32 6.3