[gmx-developers] gromacs on GPU

David spoel at xray.bmc.uu.se
Fri May 13 19:18:49 CEST 2005

On Fri, 2005-05-13 at 19:35 +0300, zrotsch at gmail.com wrote:
> Hello!
>  Sorry if this is not the most right forum to post my question here,
> but since I am newbie, I will try to proceed here.
>  To put it philosophically, developing computer program procedures
> involves mainly development of syntactic (formal symbol manipulation)
> engine and only partly with regard to specific hardware (since it is
> represented on system's level as formal code with regard to device
> drivers).
>  Can someone formulate in the very basic way why it is so hard to
> develop a mathematical engine for running GROMACS on GPU (for a group
> of science oriented people)?
Check recent archives about this subject. In short: it is hard to
compete with normal CPUs.
> Thank you.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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