[gmx-users] FFTW with AVX

Oliver Schillinger o.schillinger at fz-juelich.de
Mon Jan 4 14:36:09 CET 2016


Hi there,
I just noticed that when I compile gromacs 5.1.1 with
GMX_BUILD_OWN_FFTW=ON, it compiles fftw with avx support (at least that 
is what cmake reports: "The GROMACS-managed build of FFTW 3 will 
configure with the following optimizations: --enable-sse2;--enable-avx").
However, in the online installation instructions it is noted that avx 
might slow down the computation and its use is discouraged.
Is this information outdated or are the defaults that gromacs uses for 
the fftw compilation not optimal (and how do I change them)?
Cheers,
Oliver

-- 
Oliver Schillinger
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Computational Biochemistry
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