[gmx-users] Error: Cannot find AVX 512F compiler flag

[Szilárd Páll]

Hi,

What hardware are you targeting? Unless you need AVX512 support, you could
just manually specify the appropriate setting in GMX_SIMD, e.g.
-DGMX_SIMD=AVX2_256 would be appropriate for most cases where AVX512 is not
supported.

Cheers,
--
Szilárd


On Wed, Jan 15, 2020 at 9:51 AM Shlomit Afgin <shlomit.afgin at weizmann.ac.il>
wrote:

>
> Hi,
> I tried to install GROMACS 2019.5 on CentOS7,
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
>
> I have already installed devtoolset-6 and still get this error:
>
> -- Performing Test CXX_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS
> -- Performing Test CXX_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS - Failed
> -- Could not find any flag to build test source (this could be due to
> either the compiler or binutils)
> -- Could not identify number of AVX-512 units - detection program missing
> compilation prerequisites
> -- Could not run code to detect number of AVX-512 FMA units - assuming 2.
> -- Detected best SIMD instructions for this CPU - AVX_512
> CMake Error at cmake/gmxManageSimd.cmake:51 (message):
>   Cannot find AVX 512F compiler flag.  Use a newer compiler, or choose a
>   lower level of SIMD (slower).
> Call Stack (most recent call first):
>   cmake/gmxManageSimd.cmake:186
> (gmx_give_fatal_error_when_simd_support_not_found)
>   CMakeLists.txt:719 (gmx_manage_simd)
>
>
> Thanks,
> Shlomit
> --
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