[SciPy-User] Scipy.Optimize on GPUs?

[william ratcliff]

How large is your lattice?   Is this for MD, or monte-carlo?

On Tue, Jan 18, 2011 at 11:31 AM, Patrick Holvey <pholvey at gmail.com> wrote:

> Good morning everyone.
>
> I'm currently calling scipy.optimize.fmin_cg() to minimize the energy of a
> crystal system by changing the xyz coordinates of atoms in the system.  I'm
> working on deriving the fprime function, but currently, the gradient is
> being estimated by fmin_cg.  I have access to some Nvidia Tesla's but not
> much experience running Python on GPUs.  I was wondering if there was an
> already GPU-enabled optimization algorithm somewhere in scipy or some other
> package.  Does anyone know of one?
>
> Many thanks,
>
> Patrick
>
> --
> Patrick Holvey
> Graduate Student
> Dept. of Materials Science and Engineering
> Johns Hopkins University
> pholvey1 at jhu.edu
> Cell: (865)-659-9908
>
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