More recent benchmarks than gmxbench-3.0.tar.gz?

User discussions
1

GROMACS version: 2019.5
GROMACS modification: No
Dear Gromacs users,
we are looking for benchmark cases to evaluate the scalability of Gromacs on a cluster with several hundreds of nodes. Our search only brought up gmxbench-3.0.tar.gz from 2015. The corresponding page referring to that tarball on www.gromacs.org seems to be obsolete. So, is there a more recent benchmark suite to evaluate Gromacs? Thank you!

2

Have a look here

https://www.mpibpc.mpg.de/grubmueller/bench

Find a benchmarking tool here

https://mdbenchmark.readthedocs.io/en/latest/

Also, have a look at this paper that did some more extensive benchmarking with GPUs

3

Very serendipitous find!

Thank you!

4

See this benchmark archive: https://zenodo.org/record/3893789
(supplementary info for https://aip.scitation.org/doi/full/10.1063/5.0018516)

5

Thanks @pszilard !

I’ve been looking for the STMV coordinates, parameters and job parameters for a while.