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<div class="moz-cite-prefix">Hi,<br>
<br>
It looks like the few kernels routines needed for the CPU
non-bonded kernels are not present (yet). Erik Lindahl is the one
who implemented the SIMD for Power8, I don't know if he has these
routines already.<br>
But with a GPU this doesn't matter, since those kernels will run
on the GPU. All other things on the CPU should use Power8 SIMD.<br>
<br>
Cheers,<br>
<br>
Berk<br>
<br>
On 06/18/2015 02:50 PM, Baker D.J. wrote:<br>
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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’m not sure that this is the correct place
to send my question, however please bear with me and help me
to redirect my enquiry if necessary.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">We recently received delivery of two Power8
machines—one of the machines has a K40 GPU installed. I have
read that interesting reports that Gromacs performs well on
Power8 systems, especially if there’s a GPU card available. I
have been doing some experiments, and so far I’ve have been
very disappointed by the performance of Gromacs. At this stage
I am just working on one of the “water” examples (1536). I am
working with the very latest gromacs (5.1) and I have tried
configuring with GMX_SIMD=IBM_VSX, however when I try a
parallel run I still get this warning:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">WARNING: Using the slow plain C kernels.
This should<o:p></o:p></p>
<p class="MsoNormal">not happen during routine usage on
supported platforms.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Could someone please advise how I should
configure and install Gromacs to get the best out of our
Power8 machines.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best regards,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">David.<o:p></o:p></p>
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