Re: NAMD on Stempede (and other MIC Coprocessor systems)

From: Chris Harrison (
Date: Fri Jan 11 2013 - 15:18:42 CST

Hi Jeff,

We're working on it presently.


On Fri, Jan 11, 2013 at 1:39 PM, Jeff Wereszczynski <> wrote:

> 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

Chris Harrison, Ph.D.
NIH Center for Macromolecular Modeling and Bioinformatics
Theoretical and Computational Biophysics Group
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801       Voice: 773-570-6078                          Fax: 217-244-6078

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