Re: [AMBER-Developers] PMEMD now built by default

From: case <>
Date: Wed, 3 Mar 2010 08:40:37 -0500

On Tue, Mar 02, 2010, Ross Walker wrote:

> I know there are things like FFTW but
> I never saw much speedup with that so figured it wasn't worth the hassle.

I recommend against using FFTW by default. There are weird license issues
involved: FFTW is GPL, but pmemd is not. This doesn't prevent an individual
user from making the link themselves (since they can't redistribute the code
anyway), but I'd like to avoid having it be the default, where possible.

To everyone: be aware of license issues if you use any outside code.

(Tyler: don't let me forget that we need a final word from NINT before
releasing RISM as GPL...)


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Received on Wed Mar 03 2010 - 06:00:22 PST
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