[gmx-users] gromacs instillation

[Ali Ahmed]

Dear Rahul,
Thank you for your answer. Yes, I did remove the old version and all its
dependencies.
Usually, I use these commands for installation

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

This time I got this error and tried several options with no luck


Thanks
Ali



On Wed, Apr 10, 2019 at 10:55 PM RAHUL SURESH <drrahulsuresh at gmail.com>
wrote:

> Hi
>
> On Thu 11 Apr, 2019, 8:39 AM Ali Ahmed, <aa5635737 at gmail.com> wrote:
>
> > Hello GMX users
> > I have installed gromacs 2019.1 on Ubuntu 16.04 and everything was well.
> > I run: source /usr/local/gromacs/bin/GMXRC and checked the version, it
> was
> > 2019.1.
> > When I open a new terminal and hit gmx, it says gromacs is currently not
> > installed.
>
> This means gromacs is not installed in the source directory. Simple., You
> will know where you have the gromacs executable. Just give that address in
> source. Or better set it in bash so you needn't go for source everytime.
>
> > You can install it by typing:  sudo apt install gromacs. When I
> > did it, the version became 5.1.2.
> >
>
> That's wrong procedure. If you want 2019 version then you got to start
> from scratch. Delete all you preexisting gromacs file and reinstall 2019
> Ver. Don't use apt-get.
>
> >
> > Any idea how to solve it!
> >
> > Thank you
> > Ali
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