[gmx-users] GPU installation of gromacs:Tesla K20c

Peter Kroon p.c.kroon at rug.nl
Fri Oct 9 09:35:08 CEST 2015

1) put `source /usr/local/gromacs/bin/GMXRC` in your ~/.bashrc file.
2) Type `echo $PATH` and make sure you find your path to Gromacs in there.
3) try `gmx mdrun`. Im not sure whether that is already required for
Gromacs 5.0.5. Also, have a look in /usr/local/gromacs/bin to see
whether 'gmx', 'mdrun' and 'pdb2gmx' exist.


On 09/10/15 07:48, Nikhil Maroli wrote:
> Dear all,
> i have Tesla K20 GPU and ubuntu 15.04 and i installed cuda 7.5.after that i
> executed the following commands
> tar xfz gromacs-5.0.5.tar.gz
> cd gromacs-5.0.5
> mkdir build
> cd build
> make
> make check
> sudo make install
> source /usr/local/gromacs/bin/GMXRC

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