Re: Accelerated MD

From: Chris Harrison (
Date: Wed Aug 29 2012 - 23:49:03 CDT

Jeff Wereszczynski <> writes:
> Date: Wed, 29 Aug 2012 21:19:39 -0700
> From: Jeff Wereszczynski <>
> To: Thomas Albers <>
> Cc: Jeff Wereszczynski <>, Namd Mailing List
> <>
> Subject: Re: namd-l: Accelerated MD
> Ah, you are using CUDA! Yes, that doesn't surprise me that the two are
> incompatible. Perhaps the developers could add a warning so that others
> don't do the same thing?

Hi Jeff,

Yes, I can add a warning, but more importantly I want them working
together. Thomas if you can kindly send your inputs so I can reproduce
the bug, I can investigate the cause and maybe fix it.


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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