<div dir="auto"><div>Bluntly, the system administrators did their tests wrong. Wien2k does not do extensive data exchange, i.e. use the file system as virtual memory. I suspect that they did some simple test on a bulk system with many k-point, not using SCRATCH, then incorrectly extrapolated. (They might also have used bad compilation options.)</div><div dir="auto"><br></div><div dir="auto">Persuading them that they made a mistake may not be simple.</div><div dir="auto"><br></div><div dir="auto">We have run Wien2k on Stampede. It was OK, but the memory per core was too small for big jobs. (They may have fixed that.) I am cc'ing a student who has used it most, she can add more information.<br><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div><div class="gmail_extra" dir="auto"><br><div class="gmail_quote">On Feb 20, 2018 1:05 AM, "Katherine Reed" <<a href="mailto:kireed@g.hmc.edu">kireed@g.hmc.edu</a>> wrote:<br type="attribution"><blockquote class="quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
I am hoping to run wien2k on Stampede2 at the Texas Advanced Computing Center (TACC). The system administrators are concerned because tests of wien2k on the system have shown it to be problematic because it does data exchange via the shared Lustre file system and this can easily crash the file system, which is not designed to handle many, frequent reads and writes by many processes. Does anyone have a suggestion to work around this issue? Is there a solution other than to change systems?<br>
<br>
Thanks,<br>
Kate Reed<br>
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