[gmx-developers] Current status FFTW-3D

David van der Spoel spoel at xray.bmc.uu.se
Mon Aug 6 16:07:50 CEST 2007


Erik Lindahl wrote:
> 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).
>

The wiki is up-to-date as concerns information. Carsten Kutzner 
expressed some interest in working on this, maybe he can comment whether 
or not this is the case?

> 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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