It's work okay after I add to the $PATH:
/opt/rh/devtoolset-6/root/usr/bin/gcc
Thanks
Shlomit
On 16/01/2020, 11:23, "gromacs.org_gmx-users-boun...@maillist.sys.kth.se on
behalf of Mark Abraham" wrote:
That tells you what your CPU is capable of. We need to know whether cmake
That tells you what your CPU is capable of. We need to know whether cmake
has found the compiler that can issue the instructions. Follow the
suggestions Roland and I have made.
Mark
On Wed, 15 Jan 2020 at 10:45, Shlomit Afgin
wrote:
>
>
> I ran:
>
> cat /proc/cpuinfo | grep -i avx512
>
>
>
>
How can I make GROMACS use devtoolset-6?
[shlomit@cn gromacs-2019.5]$ type gcc
gcc is /bin/gcc
[shlomit@cn gromacs-2019.5]$ scl enable devtoolset-6 bash
[shlomit@cn gromacs-2019.5]$ type gcc
gcc is /bin/gcc
Shlomit
On 15/01/2020, 12:07,
On Wed, 15 Jan 2020 at 11:07, Tru Huynh wrote:
>
> gcc is /opt/rh/devtoolset-6/root/usr/bin/gcc
>
Good, so is Cmake using it? (e.g. remove the build dir and run cmake again
to see what it first reports, or inspect $builddir/CMakeCache.txt for the
compiler setting)
Mark
--
Gromacs Users
On Wed, Jan 15, 2020 at 08:50:46AM +, Shlomit Afgin 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:
installed, but not using it?
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-boun...@maillist.sys.kth.se on
behalf of Szilárd Páll" wrote:
Hi,
What
mit Afgin
> Sent: Wednesday, January 15, 2020 12:51 AM
> To: gmx-us...@gromacs.org
> Subject: [gmx-users] Error: Cannot find AVX 512F compiler flag
>
>
> Hi,
> I tried to install GROMACS 2019.5 on CentOS7, cmake .. -
> DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD
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
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
