[gmx-users] Installation Problem... No command 'gmx' found

Md. Imrul Reza Shishir imrul.reza.shishir at gmail.com
Thu Apr 21 06:11:17 CEST 2016

Dear all user

I install gromacs in my laptop its perfectly ok. But i have problem to
install in my desktop there i face problem.
In my desktop i want to compile with cuda accelerator and MPI option. I
install successfully openmpi-1.10.2 and cuda-7.5 with nvidia driver. all
this driver is ok.

For gromacs i run this installation command.

tar -xzvf gromacs-5.1.2.tar.gz
cd gromacs-5.1.2.tar.gz
mkdir build
cd build
CMAKE <gromacs-5.1.2 file location > -DGMX_BUILD_OWN_FFTW=on -DGMX_GPU=on
make -j16
make check
sudo make install -j16

source /usr/local/gromacs/bin/GMXRC

In the installation procedure i dont find any error. All 26 test completed
without error.

But when i try to run "gmx or gmx help"

There is error no command gmx found. I need your guidance.

​Best Regards

*Md Imrul Reza Shishir*

More information about the gromacs.org_gmx-users mailing list