[gmx-users] Error while Installing GROMACS 2018 on Dell EMC T640(Xeon Gold 6152) with Tesla K880 GPU (RHEL 7.3)

[신동규]

Dear Mark,

Thank you for your kind suggestion.
I also read your other suggestion but I did not know what your solution
meant at that time.

I installed devtoolset-6 (7 is not working) in RHEL and commanded cmake
successfully.

Thank you again

Dongkyu



2018-03-13 18:04 GMT+09:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> On Tue, Mar 13, 2018 at 7:31 AM 신동규 <thebiosdk at gmail.com> wrote:
>
> > I am trying to install the latest GROMACS on Dell EMC T640(Xeon Gold
> > 6152) with Tesla K880 GPU (RHEL 7.3) but got the following error when
> > issuing cmake command.
> >
> > My command was:
> >
> > cmake ..  -DGMX_GPU=on -DGMX_BUILD_OWN_FFTW=ON
> -DREGRESSIONTEST_DOWNLOAD=ON
> >
> > I  tried with option -DGMX_SIMD=AVX_512 but the result was same.
> >
>
> Sure, ordering it to do the thing that the automation wanted to do won't
> help.
>
> 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).
>
>
> The error message already suggests some solutions. Get a GCC compiler (.e.g
> from dev-toolset packages) that is the latest one supported by your CUDA
> library.
>
> Mark
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