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

Nikhil Maroli scinikhil at gmail.com
Fri Oct 9 07:49:33 CEST 2015

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 check
sudo make install
source /usr/local/gromacs/bin/GMXRC


everything is completed without any error
what i have to do next for gromacs installation in linux
i seen the files of gromacs in usr/local/gromacs/share/gromacs
but when i give mdrun or pdb2gmx it asking for install gromacs
sudo apt-get install gromacs?
what i have to do next to get a working gromacs in gpu?
Nikhil Maroli

More information about the gromacs.org_gmx-users mailing list