[gmx-users] Installatoin error

[Mark Abraham]

Hi,

I already suggested that you stop using your root account for everyday
tasks. You need it for "make install" only.

Probably your problem is that you are using an old build tree that was
using some other compiler. Make a new build tree if you're changing your
tool chain. Or better still, start by unpacking the tarball as a normal
user, use scl as above, and then follow the GROMACS installation
instructions. No root until "make install"!

If that doesn't work, then I can probably only suggest that you've broken
your Linux installation in some way and should (unfortunately) install a
new one. :-(

Mark

On Thu, May 4, 2017 at 9:04 AM RAHUL SURESH <drrahulsuresh at gmail.com> wrote:

> I am trying all possible ways to install Gromacs and I end up with errors.
> I have updated my OS, installed GCC 5.3 manually and devtoolset-4. Still I
> end up with same error.
>
> [user at mqml Desktop]$ su
> Password:
>
> [root at mqml Desktop]# scl enable devtoolset-4 'gcc --version'
> gcc (GCC) 5.3.1 20160406 (Red Hat 5.3.1-6)
> Copyright (C) 2015 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.
>
> [root at mqml Desktop]# scl enable devtoolset-4 bash
> [root at mqml Desktop]# which gcc
> /opt/rh/devtoolset-4/root/usr/bin/gcc
> [root at mqml Desktop]# cd
> [root at mqml ~]# cd /
> [root at mqml /]# cd gromacs-2016.3/build/
> [root at mqml build]# cmake .. -DGMX_BUILD_OWN_FFTW=ON
> -DREGRESSIONTEST_DOWNLOAD=ON
> CMake Error at cmake/gmxTestCXX11.cmake:114 (message):
>   This version of GROMACS requires a C++11 compiler.  Please use a newer
>   compiler or use the GROMACS 5.1.x release.  See the installation guide
> for
>   details.
> Call Stack (most recent call first):
>   CMakeLists.txt:164 (gmx_test_cxx11)
>
>
> -- Configuring incomplete, errors occurred!
> See also "/gromacs-2016.3/build/CMakeFiles/CMakeOutput.log".
> See also "/gromacs-2016.3/build/CMakeFiles/CMakeError.log".
>
>
> How do I overcome it?
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
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