<div dir="ltr">Hi,<div><br></div><div>regressiontests are fine for me with OpenCL. But if you are still testing release-5-1 code against master-branch regressiontests, that won't work, whether for OpenCL or not.</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Mon, Dec 7, 2015 at 10:17 PM Szilárd Páll <<a href="mailto:pall.szilard@gmail.com">pall.szilard@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_extra"><div class="gmail_quote">On Mon, Dec 7, 2015 at 12:15 PM, Szilárd Páll <span dir="ltr"><<a href="mailto:pall.szilard@gmail.com" target="_blank">pall.szilard@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_extra"><span><div>On Fri, Dec 4, 2015 at 7:54 PM, Szilárd Páll <span dir="ltr"><<a href="mailto:pall.szilard@gmail.com" target="_blank">pall.szilard@gmail.com</a>></span> wrote:<br></div></span><div class="gmail_quote"><span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_extra"><span><div><div>On Fri, Dec 4, 2015 at 7:26 PM, Vedran Miletić <span dir="ltr"><<a href="mailto:rivanvx@gmail.com" target="_blank">rivanvx@gmail.com</a>></span> wrote:<br></div></div></span><div class="gmail_quote"><span><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><span>2015-12-04 18:13 GMT+01:00 Szilárd Páll <<a href="mailto:pall.szilard@gmail.com" target="_blank">pall.szilard@gmail.com</a>>:<br>
> Sounds good, is there anything on our side we can help with?<br>
><br>
> Cheers,<br>
><br>
> --<br>
> Szilárd<br>
<br>
</span>Just making sure OpenCL works correctly with AMD and NVIDIA<br>
proprietary drivers is enough, so I can consider it a perfectly<br>
working black box.<br></blockquote><div><br></div></span><div>I hope that those cases are covered by our CI setup, but I better verify.</div></div></div></div></blockquote><div><br></div></span><div>Unfortunately we still don't have CI verification of OpenCL builds. There is a manual-trigger test project, but nothing gets tested automatically.</div></div></div></div></blockquote><div><br></div></div></div></div><div dir="ltr"><div class="gmail_extra"><div class="gmail_quote"><div>Additionally, some of the regressiontests don't even pass which is worrying. I'll get back to this later.</div></div></div></div><div dir="ltr"><div class="gmail_extra"><div class="gmail_quote"><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_extra"><div class="gmail_quote"><div><br></div><div>I'll try to look into this, but I'm very up-to-date with the state of the jenkins setup. </div><span><div><br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div class="gmail_extra"><div class="gmail_quote"><span><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<br>
When I get GROMACS to run, I will require help with testing<br>
correctness and performance measurements.<br></blockquote><div><br></div></span><div>I can certainly help with that. If the regressiontests pass (make check) most likely everything is fine.</div><div>One more tip in case if you need it: for a quick correctness check I suggest running a few steps (>0, e.g. 1-5) and diff-ing the energy terms printed in the log file (increase frequency using nstlog in the mdp) against a known to be correct mdrun. Slightly more elaborate is to, instead of diff-ing, use gmxcheck to check output (e.g. energy or force) against a reference output.</div><div><br></div><div>Cheers,</div><div>--</div><div><div><div>Szilárd</div></div></div><span><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<div><div><br>
Regards,<br>
Vedran<br>
<br>
--<br>
Vedran Miletić<br>
<a href="http://vedranmileti.ch/" rel="noreferrer" target="_blank">http://vedranmileti.ch/</a><br>
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