[gmx-developers] Current status FFTW-3D

[Erik Lindahl]

Hi Roland,

Wiki is pretty much up-to-date on the FFT stuff - I haven't had time  
for it myself (working on free energy perturbation right now) and my  
students seem to be busy :-)

There are some auxiliary projects involving more optimized FFT  
routines, but the primary project is mostly an exercise in book- 
keeping and efficient MPI communication. Essentially, the parallel  
version should use pre-existing 1D FFT calls and enable full 1D/2D/3D  
decomposition of the entire grid (currently we only do 1D).

Cheers,

Erik





On Aug 4, 2007, at 11:44 AM, Roland Schulz wrote:

> Hi,
>
> what is the current status of the FFTW-3d since the last wiki  
> change and
> in case work has started who is working on it? I might be  
> interested to
> work on it and thus like to talk to the people working on it.
>
> Thanks
> Roland
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