[gmx-users] Problem in installing GROMACS 2018

[Mark Abraham]

Hi,

I don't know whether you still think there is a problem. As the docsc say,
you need to source GMXRC every time you want to use a particular GROMACS
installation when there is more than one.

Mark

On Sun, May 27, 2018 at 10:58 AM Ali Ahmed <aa5635737 at gmail.com> wrote:

> Hi Mark,
> Yes, I used that and I have no idea what happened.
> First I removed old version then downloaded 2018 version and used these
> commands:
>
> tar xfz gromacs-2018.1.tar.gz
> cd gromacs-2018.1
> mkdir build
> cd build
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> make
> make check
> sudo make install
> source /usr/local/gromacs/bin/GMXRC
>
> Thanks
>
> On Sun, May 27, 2018 at 3:50 AM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
> > Hi,
> >
> > Some other version of GROMACS is being found. Follow the official
> > instructions at
> > http://manual.gromacs.org/documentation/current/install-
> > guide/index.html#getting-access-to-gromacs-after-installation
> >
> > Mark
> >
> > On Sun, May 27, 2018, 10:31 Ali Ahmed <aa5635737 at gmail.com> wrote:
> >
> > > Hi Kevin,
> > > Yes, I had it, but I removed GROMACS 5.1.2 before trying to install
> 2018
> > > version.
> > > Thanks
> > > Ali
> > >
> > > On Sun, May 27, 2018 at 12:05 AM, Kevin Boyd <kevin.boyd at uconn.edu>
> > wrote:
> > >
> > > > Hi,
> > > >
> > > > Did you have a previous install of gromacs 5.1.2? If so, it’s
> > potentially
> > > > a case of you having two installations of gromacs, and the first one
> > > found
> > > > by your os when you try to run gmx [command] is 5.1.
> > > >
> > > > Kevin
> > > >
> > > > > On May 27, 2018, at 12:10 AM, Ali Ahmed <aa5635737 at gmail.com>
> wrote:
> > > > >
> > > > > Dear Soham,
> > > > > I followed website instructions. I could not find instructions by
> > > Sridhar
> > > > > Manchu for 2018 version.
> > > > > Thanks
> > > > >
> > > > >> On Sat, May 26, 2018 at 10:54 PM, Soham Sarkar <
> soham9038 at gmail.com
> > >
> > > > wrote:
> > > > >>
> > > > >> Follow installation by Sridhar Manchu
> > > > >>
> > > > >>> On Sun, 27 May 2018, 4:23 am Ali Ahmed, <aa5635737 at gmail.com>
> > wrote:
> > > > >>>
> > > > >>> Hello GROMACS users,
> > > > >>>
> > > > >>> I'm trying to install GROMACS 2018 on my laptop. I followed the
> > > > >>> instructions on GROMACS website and everything looks fine.
> > > > >>> But when I check the version. it says :  :-) GROMACS - gmx,
> VERSION
> > > > 5.1.2
> > > > >>> (-: .
> > > > >>> Please, can anyone tell me how to install 2018 version? because I
> > > need
> > > > to
> > > > >>> use electric field options
> > > > >>>
> > > > >>> Thank you
> > > > >>> Ali
> > > > >>> --
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