[gmx-developers] Gromacs 5.0 benchmarks

[kevin chen]

Hi Vedran,

Thanks for sharing!

Kevin


On Thu, Jul 7, 2016 at 6:36 AM, Vedran Miletić <vedran at miletic.net> wrote:

> On 07/06/2016 05:54 PM, Kevin Chen wrote:
>
>> Dear GROMACS developers,
>>
>> We are currently in the process of benchmarking GROMACS5.1.2 on our
>> local HPC systems. There are some nice results posted online
>> (http://www.gromacs.org/@api/deki/files/240/=gromacs-5.0-benchmarks.pdf).
>> I
>> was wondering if anybody can kindly share the files (such as, pdbs,
>> mdps, tops and tprs) used for those tests? We’d like to see if we could
>> reproduce any of those results.
>>
>>
>>
>> Thank you in advance!
>>
>>
>>
>> Kevin Chen
>>
>>
> Hi Kevin,
>
> for benchmarking, the following files may be what you are looking for:
> ftp://ftp.gromacs.org/pub/benchmarks/
>
> Regards,
> Vedran
>
> --
> Vedran Miletić
> vedran.miletic.net
>
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