On Tue, Oct 14, 2014, Ross Walker wrote:
> I don't think anyone has taken the time to
> update the interface to FFTW v3
This doesn't appear(?) to be the case: fft1d.F90 has an "include <fftw3.f>"
line.
> Perri put in MKL's FFT for the CPU based hybrid precision model
> but I don't think that was added for double precision in the trunk - Perri?
>
> If someone would like to volunteer to update PMEMD to support FFTW 3 and
> test it (including performance) it would be much appreciated.
pmemd (double precision) with FFTW3 seems to work fine for me (compiles,
passes the test suite). I'll try to see if I can get some performance
numbers.
....dac
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Received on Tue Oct 14 2014 - 05:00:03 PDT
