[gmx-users] gromacs-5.0.4 installation problem

[Roland Schulz]

Hi,

please rerun cmake from an empty build directly and post both the full
cmake output and the content of CMakeFiles/CMakeError.log.

Roland

On Thu, May 7, 2015 at 7:38 PM, James Lord <jjamesgreen110 at gmail.com> wrote:

> Hi Mark,Szilard and Christopher,
> Thanks for the comments,
> apparently gcc 4.8.2 is there. Really can't understand why and what it is
> complaining about,
>
> root at ubuntu:~/gromacs-5.0.4/build# gcc --version
> gcc (Ubuntu 4.8.2-19ubuntu1) 4.8.2
> Copyright (C) 2013 Free Software Foundation, Inc.
> This is free software; see the source for copying conditions.  There is NO
> warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
>
>
> So are you guys saying that a new installation might be better than messing
> around with this?
> Cheers
> James
>
>
>
> On Thu, May 7, 2015 at 7:21 PM, Szilárd Páll <pall.szilard at gmail.com>
> wrote:
>
> > Something is strange about that Ubuntu installation, gcc 4.8.2 should
> > be the default.
> > --
> > Szilárd
> >
> >
> > On Fri, May 8, 2015 at 12:10 AM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> > > 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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