<div dir="ltr">Hi,<div><br></div><div>Yes we've had a few requests for these. I can share e.g. the .tpr files easily enough but attempting to reproduce them requires driver scripts to scan parameters, etc. and I don't have time right now to make those usable in the hands of others on arbitrary HPC platforms and job schedulers. What's the purpose of the benchmarking? Are you better served by getting examples of actual .tpr files used by your users, and using those?</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Thu, Jul 7, 2016 at 12:43 PM Vedran Miletić <<a href="mailto:vedran@miletic.net">vedran@miletic.net</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">On 07/06/2016 05:54 PM, Kevin Chen wrote:<br>
> Dear GROMACS developers,<br>
><br>
> We are currently in the process of benchmarking GROMACS5.1.2 on our<br>
> local HPC systems. There are some nice results posted online<br>
> (<a href="http://www.gromacs.org/@api/deki/files/240/=gromacs-5.0-benchmarks.pdf" rel="noreferrer" target="_blank">http://www.gromacs.org/@api/deki/files/240/=gromacs-5.0-benchmarks.pdf</a>). I<br>
> was wondering if anybody can kindly share the files (such as, pdbs,<br>
> mdps, tops and tprs) used for those tests? We’d like to see if we could<br>
> reproduce any of those results.<br>
><br>
><br>
><br>
> Thank you in advance!<br>
><br>
><br>
><br>
> Kevin Chen<br>
><br>
<br>
Hi Kevin,<br>
<br>
for benchmarking, the following files may be what you are looking for:<br>
<a href="ftp://ftp.gromacs.org/pub/benchmarks/" rel="noreferrer" target="_blank">ftp://ftp.gromacs.org/pub/benchmarks/</a><br>
<br>
Regards,<br>
Vedran<br>
<br>
--<br>
Vedran Miletić<br>
<a href="http://vedran.miletic.net" rel="noreferrer" target="_blank">vedran.miletic.net</a><br>
--<br>
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