Dear gmx users,
I have installed the parallel version 4.0.7 of gromacs on one of the nodes of my cluster. Here is the steps I've done through root: first, the normal installation: ./configure make make install make links then issued commands below for the mpi build: ./configure --enable-mpi make mdrun make install-mdrun make links I dont see any errors and everything seems to install fine. I then switch to a normal user to do my work and then after issuing the grompp_md command as usual, I entered the command below: mpirun -np 8 mdrun_mpi -s *.tpr -o *.tpr -c *_after_md -v >& output.mdrun_md however, output.mdrun_md gives: mpirun was unable to launch the specified application as it could not find an executable: Executable: mdrun_mpi Node: node3.reyclus.loc while attempting to start process rank 0. Was the installation procedure incorrect? Or do I need to go through a separate installation for the mdrun_mpi executable? Please guide me on what is wrong. Thanks, Justin
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
