[gmx-users] gromacs-5.0.4 installation problem

[James Lord]

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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