[gmx-users] Problem in installing GROMACS 2018

Ali Ahmed aa5635737 at gmail.com
Sun May 27 10:57:55 CEST 2018


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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