Thanks a a lot to you and also to Szilárd for your feedback and
encouragement. I am very happy to see that this work is indeed useful
especially to developers.
We have no plans to make this into a 'proper' publication. I am not
sure how much interested the simulation community would be because,
You should absolutely publish this. it would be of great interest. You
can mitigate your chances of running into problems with the overview
by sending a version of the manuscript to the developers of each
software and asking them to provide a short paragraph, each of which
you could
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
On 2012-03-15 14:37, Hannes Loeffler 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
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.
--
Szilárd
On Thu, Mar 15, 2012 at 2:37 PM, Hannes Loeffler
hannes.loeff...@stfc.ac.uk
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