[gmx-users] Announcement: Large biomolecule benchmark report

Szilárd Páll szilard.pall at cbr.su.se
Fri Mar 16 01:35:15 CET 2012

I fully agree with David, it's great to have independent benchmarks!

In fact, already the the previous version of the report has been of
great use for us, we have referred to the results in a few occasions.


On Thu, Mar 15, 2012 at 2:37 PM, Hannes Loeffler
<Hannes.Loeffler at stfc.ac.uk> wrote:
> Dear all,
> we proudly announce our third benchmarking report on (large)
> biomolecular systems carried out on various HPC platforms.  We have
> expanded our repertoire to five MD codes (AMBER, CHARMM, GROMACS,
> LAMMPS and NAMD) and to five protein and protein-membrane systems
> ranging from 20 thousand to 3 million atoms.
> Please find the report on
> http://www.stfc.ac.uk/CSE/randd/cbg/Benchmark/25241.aspx
> where we also offer the raw runtime data.  We also plan to release
> the complete joint benchmark suite at a later date (as soon as we
> have access to a web server with sufficient storage space).
> We are open to any questions or comments related to our reports.
> Kind regards,
> Hannes Loeffler
> STFC Daresbury
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