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

[Shlomit Afgin]

It's work okay after I add to the $PATH:

/opt/rh/devtoolset-6/root/usr/bin/gcc



Thanks

Shlomit



On 16/01/2020, 11:23, "gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of Mark Abraham" <gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of mark.j.abraham at gmail.com> wrote:



    That tells you what your CPU is capable of. We need to know whether cmake

    has found the compiler that can issue the instructions. Follow the

    suggestions Roland and I have made.



    Mark



    On Wed, 15 Jan 2020 at 10:45, Shlomit Afgin <shlomit.afgin at weizmann.ac.il>

    wrote:



    >

    >

    > 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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