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

terrencesun at gmail.com terrencesun at gmail.com
Thu Apr 21 07:31:54 CEST 2016


Hi, 

Try gmx_mpi.

Regards
Terry


> On 21 Apr 2016, at 12:11 PM, Md. Imrul Reza Shishir <imrul.reza.shishir at gmail.com> wrote:
> 
> 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
> -DGMX_MPI=on -DREGRESSIONTEST_DOWNLOAD=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*
> -- 
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