[gmx-developers] [Patch] Re-enable optimize_fft option

[Ansgar Esztermann]

Hello,

finally I've gotten around to work on the optimize_fft parameter. This
is simply ignored in v3.3.1; with the enclosed patch, it will still be
ignored when linked against fftpack or mkl fft, but honored by both
fftw2 and 3. 
Thus, users may set optimize_fft to no for applications that demand
bit-for-bit reproducibility of trajectories (e.g. when doing
regression tests).



A.
-- 
Ansgar Esztermann
Researcher & Sysadmin
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/aeszter/index.shtml
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