<div dir="ltr">IIRC there did not seem to be enough use cases for parallel analysis  at the time (considering the limitations?), but I&#39;m not sure. Unless I&#39;m remembering incorrectly, only independent per-frame processing was possible, right?<div> <br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature">--<br>Szilárd</div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, Aug 14, 2018 at 9:37 AM Kutzner, Carsten &lt;<a href="mailto:ckutzne@gwdg.de">ckutzne@gwdg.de</a>&gt; wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Roland,<br>
<br>
thanks a lot, this seems like a good starting point for building<br>
an MPI-parallel tool! Is there any specific reason why this <br>
patch is lying dormant? Any road blocks, or just lack of<br>
resources?<br>
<br>
Best regards,<br>
  Carsten<br>
<br>
<br>
&gt; On 14. Aug 2018, at 01:22, Schulz, Roland &lt;<a href="mailto:roland.schulz@intel.com" target="_blank">roland.schulz@intel.com</a>&gt; wrote:<br>
&gt; <br>
&gt; Hi,<br>
&gt; <br>
&gt; We done some work on this at UT/ORNL in 2012/13. You find this at <br>
&gt; <a href="https://gerrit.gromacs.org/c/1316/" rel="noreferrer" target="_blank">https://gerrit.gromacs.org/c/1316/</a> . As far as I know no one has done anything since.<br>
&gt; <br>
&gt; Roland<br>
&gt; <br>
&gt;&gt; -----Original Message-----<br>
&gt;&gt; From: <a href="mailto:gromacs.org_gmx-developers-bounces@maillist.sys.kth.se" target="_blank">gromacs.org_gmx-developers-bounces@maillist.sys.kth.se</a><br>
&gt;&gt; [mailto:<a href="mailto:gromacs.org_gmx-developers-bounces@maillist.sys.kth.se" target="_blank">gromacs.org_gmx-developers-bounces@maillist.sys.kth.se</a>] On<br>
&gt;&gt; Behalf Of Kutzner, Carsten<br>
&gt;&gt; Sent: Thursday, August 9, 2018 7:46 AM<br>
&gt;&gt; To: &lt;<a href="mailto:gmx-developers@gromacs.org" target="_blank">gmx-developers@gromacs.org</a>&gt; GROMACS development &lt;gmx-<br>
&gt;&gt; <a href="mailto:developers@gromacs.org" target="_blank">developers@gromacs.org</a>&gt;<br>
&gt;&gt; Subject: [gmx-developers] Parallelism in trajectory analysis tools<br>
&gt;&gt; <br>
&gt;&gt; Hi,<br>
&gt;&gt; <br>
&gt;&gt; what is the status of using any type of parallelism to speed up trajectory<br>
&gt;&gt; analysis tools?<br>
&gt;&gt; <br>
&gt;&gt; I guess OpenMP should be no problem, but what about MPI?<br>
&gt;&gt; <br>
&gt;&gt; What are the plans here / what would be preferred in future patches?<br>
&gt;&gt; <br>
&gt;&gt; Thanks!<br>
&gt;&gt;  Carsten<br>
&gt;&gt; <br>
&gt;&gt; --<br>
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--<br>
Dr. Carsten Kutzner<br>
Max Planck Institute for Biophysical Chemistry<br>
Theoretical and Computational Biophysics<br>
Am Fassberg 11, 37077 Goettingen, Germany<br>
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