NAMD on Stempede (and other MIC Coprocessor systems)

From: Jeff Wereszczynski (
Date: Fri Jan 11 2013 - 13:39:37 CST

Hi NAMD List,

With the opening of the Stampede cluster at TACC, I was wondering if
someone on the development side could comment on the utility of the
Intel MIC coprocessors in running NAMD? Looking through the
information on the TACC user guide, it looks like to use these
coprocessors requires using the Intel MKL libraries for automatic
offloading, so I'm guessing the current version of NAMD wouldn't
actually benefit from that correct? Are there any plans
for the future to (further?) optimize NAMD for these coprocessors
(which is probably a fairly in-depth task)?

Jeff Wereszczynski
Postdoctoral Scholar
University of California, San Diego

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