It's work okay after I add to the $PATH:
/opt/rh/devtoolset-6/root/usr/bin/gcc
Thanks
Shlomit
On 16/01/2020, 11:23, "gromacs.org_gmx-users-boun...@maillist.sys.kth.se on
behalf of Mark Abraham" wrote:
That tells you what your CPU is capable of. We need to know whether cmake
h
That tells you what your CPU is capable of. We need to know whether cmake
has found the compiler that can issue the instructions. Follow the
suggestions Roland and I have made.
Mark
On Wed, 15 Jan 2020 at 10:45, Shlomit Afgin
wrote:
>
>
> I ran:
>
> cat /proc/cpuinfo | grep -i avx512
>
>
>
> an
How can I make GROMACS use devtoolset-6?
[shlomit@cn gromacs-2019.5]$ 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, "gromacs.org_gmx-users-boun...@maillist.sy
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 mailing
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?
[tru@elitebook84
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 hardware
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 -