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

[Mark Abraham]

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