hpc-uk / archer-benchmarks

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Add smaller (more typical) GROMACS benchmark #10

Closed aturner-epcc closed 5 years ago

aturner-epcc commented 6 years ago

The large GROMACS benchmark may not be representative of GROMACS performance for typical jobs (although it allows for scaling out to higher core counts). We should add a more typical GROMACS benchmark, for example GluCl:

http://www.gromacs.org/About_Gromacs/Benchmarks

aturner-epcc commented 5 years ago

Using 1400k atom benchmark from HECBioSim: http://www.hecbiosim.ac.uk/benchmarks