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<p class="MsoNormal">Hello,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am wondering if there is any existing benchmark, unit or isolated test for the gmx_pme_do function as there is for the nonbonded-benchmark
<a href="https://manual.gromacs.org/documentation/current/onlinehelp/gmx-nonbonded-benchmark.html">
https://manual.gromacs.org/documentation/current/onlinehelp/gmx-nonbonded-benchmark.html</a>.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">In some of the simulations on single node this functions is using more than 20% of the total cycles (measured with perf record). I am trying to search something isolated and small to do tests with simulators.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Additionally I would like to know:<o:p></o:p></p>
<p class="MsoListParagraph" style="text-indent:-.25in;mso-list:l0 level1 lfo1"><![if !supportLists]><span style="mso-list:Ignore">1.<span style="font:7.0pt "Times New Roman"">
</span></span><![endif]>Solves the nbnxn_kernel_cpu the nonbonded short range force term?<o:p></o:p></p>
<p class="MsoListParagraph" style="text-indent:-.25in;mso-list:l0 level1 lfo1"><![if !supportLists]><span style="mso-list:Ignore">2.<span style="font:7.0pt "Times New Roman"">
</span></span><![endif]>Solves the gmx_do_pme the nonbonded long range force term?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Thanks a lot, Guido.<b><span lang="DE" style="font-size:10.0pt;color:#666666"><o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;color:#666666"><o:p> </o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;color:#666666">Mobile: +49 15904451229<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;color:#666666">Email: guido.giuntoli@huawei.com<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;color:#666666"><o:p> </o:p></span></b></p>
<p class="MsoNormal"><span style="color:#1F497D"><img border="0" width="70" height="71" id="Picture_x0020_1" src="cid:image001.png@01D75D1A.61C34900" alt="HW_POS_RBG_Vertical-300ppi"><b><o:p></o:p></b></span></p>
<p class="MsoNormal">HUAWEI TECHNOLOGIES Duesseldorf GmbH<br>
Hansaallee 205, 40549 Dusseldorf, Germany, <a href="http://www.huawei.com/"><b><span style="color:blue">www.huawei.com</span></b></a><br>
Registered Office: Düsseldorf, Register Court Düsseldorf, HRB 56063, <br>
Managing Director: Li Peng, Li Jian, Shi Yanli<b><span style="font-size:8.0pt;font-family:"Arial",sans-serif;color:gray"><o:p></o:p></span></b></p>
<p class="MsoNormal"><span lang="DE">Sitz der Gesellschaft: Düsseldorf, Amtsgericht Düsseldorf, HRB 56063,
<br>
Geschäftsführer: Li Peng, Li Jian, Shi Yanli<o:p></o:p></span></p>
<p class="MsoNormal"><b><span lang="EN-GB" style="font-size:9.0pt">-----------------------------------------------------------------------------------------------</span></b><span style="color:#1F497D"><o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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