[gmx-users] "C compiler accepts -mavx512f... no" (error compiling)

[Mark Abraham]

Hi,

The fftw auto download now uses the new 3.3.5 version, which supports
avx512 SIMD, but I guess they and we haven't tested the aspect of whether
it's configure by works with gcc that is too old. To work around, you can
build fftw yourself, or use one from your distro, or use a newer gcc
version.

Mark

On Sun, 6 Nov 2016 21:24 Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/6/16 3:11 PM, Jacob Nowatzke wrote:
> > I've installed GROMACS 2016.1 on my laptop and it works splendidly. When
> I
> > install on my desktop, however, it does not.
> > On the desktop I use:
> >> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> -DGMX_GPU=ON
> > -DGMX_USE_OPENCL=ON When I make check, it stops short and gives:
> >
> > checking whether C compiler accepts -mavx512f... no
> > configure: error: Need a version of gcc with -mavx512f
> > make[2]: ***
> >
> [src/contrib/fftw/fftwBuild-prefix/src/fftwBuild-stamp/fftwBuild-configure]
> > Error 1
> > make[1]: *** [src/contrib/fftw/CMakeFiles/fftwBuild.dir/all] Error 2
> > make: *** [all] Error 2
> >
> > I've searched enough to not be able to find this mavx512 business
> anywhere,
> > using various keywords. From where might this issue be stemming?
> >
>
> Looks like cmake has detected that your architecture supports AVX512
> optimization but your gcc is outdated and doesn't support it.  What
> version of
> gcc do you have?
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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