[gmx-users] GROMACS 2018 first beta released

Åke Sandgren ake.sandgren at hpc2n.umu.se
Tue Nov 28 22:00:00 CET 2017

First tests hints at ~10% better performance on Broadwell CPUs compared
to 2016.4 on the ion_channel case we got from Erik L.

This using the same compiler toolchain version.

Will test more tomorrow :-)

On 11/28/2017 07:09 PM, Mark Abraham wrote:
> 2018 will look and work, and most importantly to get feedback from you
> about how well things work. While we try our hardest to keep the quality of
> GROMACS as high as possible, we’re human, we overlook things while doing
> other things, and we need your many pairs of eyes to help build a tool that
> we can all use to do good science! We really need you to test your kinds of
> simulation on your hardware, both for correctness and performance. This is
> particularly important if you are using "interesting" hardware or
> compilers, because we can't test all of them!

Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se

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