<div dir="ltr">This could indeed be important for jobs in general if they auto-detect the hardware.<div><br></div><div>The way containerization work, you will always see that there&#39;s e.g. 96 hardware threads on the server, and it is quite possible to start 96 threads (or more) - but the cgroups mechanism in the Linux kernel will limit the actual CPU usage to the limits set (e.g. 4, with our max allowed value being 8 or 16, I think).  That could then lead to a job trying to run 96 threads, but only having resources equivalent to two physical cores (4 threads).</div><div><br></div><div>Cheers,</div><div><br></div><div>Erik</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Sep 29, 2020 at 11:09 AM Paul bauer &lt;<a href="mailto:paul.bauer.q@gmail.com">paul.bauer.q@gmail.com</a>&gt; wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex">
  
    
  
  <div>
    <div>Eric, one question, how do you set the
      total number of ranks for your jobs in the python script?<br>
      <br>
      I think the issue might be that you are oversubscribing because
      you are trying to use the whole kubernetes cluster, slowing
      everything down.</div>
    <div><br>
    </div>
    <div>Cheers<br>
      <br>
      Paul<br>
      <br>
      P.s.: <a href="https://gitlab.com/gromacs/gromacs/-/merge_requests/594" target="_blank">https://gitlab.com/gromacs/gromacs/-/merge_requests/594</a> Is
      ready now and works as intended.<br>
    </div>
    <div><br>
    </div>
    <div>On 28/09/2020 21:15, Erik Lindahl
      wrote:<br>
    </div>
    <blockquote type="cite">
      
      <div dir="ltr">PS:<br>
        <div><br>
        </div>
        <div>Note that there are two settings: The *request* you set for
          CPU and memory is guaranteed when you execute (although we
          count each hardware thread as a CPU), while the limit is
          something you ask for, but aren&#39;t guaranteed.</div>
        <div><br>
        </div>
        <div>Cheers,</div>
        <div><br>
        </div>
        <div>Erik</div>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Mon, Sep 28, 2020 at 9:14
          PM Erik Lindahl &lt;<a href="mailto:erik.lindahl@gmail.com" target="_blank">erik.lindahl@gmail.com</a>&gt; wrote:<br>
        </div>
        <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex">
          <div dir="ltr">Hi,
            <div><br>
            </div>
            <div>Given that several other test containers finish in ~2
              minutes, I think it&#39;s relatively unlikely that random
              fluctuating resource contention would systematically
              always affect the gmxapi test every time it is run, but no
              other jobs :-)</div>
            <div><br>
            </div>
            <div>The whole point of k8s/docker is that the runtime
              environment is standardized; what performance do you see
              if you run the same container e.g. on your laptop,
              desktop, or any other cloud resource when assigning two
              hardware threads to it?</div>
            <div><br>
            </div>
            <div>Cheers,</div>
            <div><br>
            </div>
            <div>Erik</div>
          </div>
          <br>
          <div class="gmail_quote">
            <div dir="ltr" class="gmail_attr">On Mon, Sep 28, 2020 at
              8:38 PM Eric Irrgang &lt;<a href="mailto:ericirrgang@gmail.com" target="_blank">ericirrgang@gmail.com</a>&gt;
              wrote:<br>
            </div>
            <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex"><br>
              &gt; On Sep 28, 2020, at 6:00 PM, Erik Lindahl &lt;<a href="mailto:erik.lindahl@gmail.com" target="_blank">erik.lindahl@gmail.com</a>&gt;
              wrote:<br>
              &gt; <br>
              &gt; - gmx-api. They both take 12-15 minutes on two cores,
              and there are four of them. <br>
              <br>
              I think there is something wrong with the way resources
              are detected in the CI Kubernetes environment that is
              causing oversubscription. I think at least 90% of that
              time is due to resource contention. The jobs only take a
              few seconds when run locally. I&#39;ve mentioned this a couple
              of times to Paul and Mark but we haven&#39;t been able to
              prioritize it. It sounds like Mark and I may take a closer
              look in October, but I can&#39;t troubleshoot effectively
              because the run-time environment is opaque to me.<br>
              <br>
              Otherwise, I agree.<br>
              <br>
              -- <br>
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            </blockquote>
          </div>
          <br clear="all">
          <div><br>
          </div>
          -- <br>
          <div dir="ltr">
            <div dir="ltr">
              <div>
                <div dir="ltr">
                  <div>
                    <div dir="ltr">
                      <div>
                        <div dir="ltr">
                          <div>Erik Lindahl &lt;<a href="mailto:erik.lindahl@dbb.su.se" target="_blank">erik.lindahl@dbb.su.se</a>&gt;</div>
                          <div>Professor of Biophysics, Dept.
                            Biochemistry &amp; Biophysics, Stockholm
                            University</div>
                          <div>Science for Life Laboratory, Box 1031,
                            17121 Solna, Sweden</div>
                        </div>
                      </div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
          </div>
        </blockquote>
      </div>
      <br clear="all">
      <div><br>
      </div>
      -- <br>
      <div dir="ltr">
        <div dir="ltr">
          <div>
            <div dir="ltr">
              <div>
                <div dir="ltr">
                  <div>
                    <div dir="ltr">
                      <div>Erik Lindahl &lt;<a href="mailto:erik.lindahl@dbb.su.se" target="_blank">erik.lindahl@dbb.su.se</a>&gt;</div>
                      <div>Professor of Biophysics, Dept. Biochemistry
                        &amp; Biophysics, Stockholm University</div>
                      <div>Science for Life Laboratory, Box 1031, 17121
                        Solna, Sweden</div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
          </div>
        </div>
      </div>
      <br>
      <fieldset></fieldset>
    </blockquote>
    <p><br>
    </p>
    <pre cols="72">-- 
Paul Bauer, PhD
GROMACS Development Manager
KTH Stockholm, SciLifeLab
0046737308594</pre>
  </div>

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* For (un)subscribe requests visit<br>
<a href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers" rel="noreferrer" target="_blank">https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers</a> or send a mail to <a href="mailto:gmx-developers-request@gromacs.org" target="_blank">gmx-developers-request@gromacs.org</a>.</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div>Erik Lindahl &lt;<a href="mailto:erik.lindahl@dbb.su.se" target="_blank">erik.lindahl@dbb.su.se</a>&gt;</div><div>Professor of Biophysics, Dept. Biochemistry &amp; Biophysics, Stockholm University</div><div>Science for Life Laboratory, Box 1031, 17121 Solna, Sweden</div></div></div></div></div></div></div></div></div>