Hi, Try gmx_mpi.
Regards Terry > On 21 Apr 2016, at 12:11 PM, Md. Imrul Reza Shishir > <imrul.reza.shis...@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* > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
