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

[Shlomit Afgin]

I ran:

cat /proc/cpuinfo | grep -i avx512



and got:

avx512f avx512dq avx512cd avx512bw avx512vl



So I thought I can use it. Am I wrong?



Shlomit



On 15/01/2020, 11:14, "gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of Szilárd Páll" <gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of pall.szilard at gmail.com> wrote:



    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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