[gmx-users] gromacs-5.0.4 installation problem

[Mark Abraham]

Hi,

The error means you need a newer compiler in order to take advantage of
your hardware, e.g. the latest version of gcc you can get (which will
probably require you add a new PPA), though I am surprised that cmake found
a C++ compiler on 14.04 and then didn't find AVX support in it... something
seems strange.

Mark

On Thu, May 7, 2015 at 8:46 PM Christopher Neale <
chris.neale at alum.utoronto.ca> wrote:

> Gromacs only notified you about turning off the GPU code, that was not an
> error. The error was the AVX vs. SSE4.1 problem. Not sure why you are
> getting that since I thought cmake would get these things straight.
>
> Chris.
>
> ________________________________________
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of James
> Lord <jjamesgreen110 at gmail.com>
> Sent: 07 May 2015 14:05
> To: gmx-users at gromacs.org
> Subject: [gmx-users] gromacs-5.0.4 installation problem
>
> Hi all,
> I just installed a fresh ubuntu 14.04, and want to go ahead with
> gromacs-5.0.4 installation, I am constantly getting this annoying message,
> anyone can help?
>
> root at ubuntu:~/gromacs-5.0.4/build# cmake .. -DGMX_BUILD_OWN_FFTW=ON
> -DREGRESSIONTEST_DOWNLOAD=ON
> -- No compatible CUDA toolkit found (v4.0+), disabling native GPU
> acceleration
> CMake Error at cmake/gmxTestSimd.cmake:220 (message):
>   Cannot find AVX compiler flag.  Use a newer compiler, or choose SSE4.1
> SIMD
>   (slower).
> Call Stack (most recent call first):
>   CMakeLists.txt:716 (gmx_test_simd)
>
>
> -- Configuring incomplete, errors occurred!
> See also "/home/james/gromacs-5.0.4/build/CMakeFiles/CMakeOutput.log".
> See also "/home/james/gromacs-5.0.4/build/CMakeFiles/CMakeError.log".
>
> After this I did
> sudo apt-get install nvidia-cuda-toolkit
> but still i am getting the same message
> Any comments?
> Cheers
> James
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