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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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