[gmx-users] Keeping more than 1 version of gromacs on single os UBUNTU

[Christian Blau]

Hi Navneet,

This is achieved by setting the installation directory with cmake for the respective source code that you downloaded, then sourcing different GMXRC.

Install different GROMACS builds fromt the source code into seperate folders using something like

-DCMAKE_INSTALL_PREFIX=/home/navneet/local/gromacs-2019.6

and for another version

-DCMAKE_INSTALL_PREFIX=/home/navneet/local/gromacs-2020

Then,

"source /home/navneet/local/gromacs-2020/bin/GMXRC"

will give you GROMACS 2020, while

"source /home/navneet/local/gromacs-2019.6/bin/GMXRC"

will give you GROMACS2019.6.

Best,

Christian

On 2020-02-17 15:15, Navneet Kumar wrote:
> Hello Everyone!
>
> I have currently installed GROMACS 2018.8 and using it. But for some of my
> previous work, I want to use the older version of GROMACS i.e 5.x.
> I have installed the GROMACS using this method
>
>> sudo cmake .. -DGMX_BUILD_OWN_FFTW=OFF -DREGRESSIONTEST_DOWNLOAD=OFF
> -DCMAKE_C_COMPILER=/usr/bin/gcc-6
> -DREGRESSIONTEST_PATH=/home/nitttr/Downloads/regressiontests-2018.8
>> everytime when I use GROMACS I start with command-
> "source /usr/local/gromacs/bin/GMXRC"
> How can I install some other version of gromacs and use simultaneously?
>
>
> /