hi gmx users I installed gromacs 4.5.5 on my Ubuntu system , and every thing was OK, but when i try to run mpirun, the following error appears: $ mpirun -np 2 mdrun -v -deffnm md_0_1 mpiexec_bahar-laptop: cannot connect to local mpd (/tmp/mpd2.console_bahar); possible causes: 1. no mpd is running on this host 2. an mpd is running but was started without a "console" (-n option) In case 1, you can start an mpd on this host with: mpd & and you will be able to run jobs just on this host.
here is the detailed description of installing: 1) installing openmpi-1.4.1 from package manager 2)fftw3 ./configure --prefix=/home/bahar/program --enable-threads --enable-float --enable-sse make make istall 3)gromacs exportCPPFLAGS="-I/home/bahar/program/include" export LDFLAGS="-L/home/bahar/program/lib" ./configure --prefix=/home/bahar/4-5-5 --enable-mpi make make mdrun make install make install-mdrun Any suggestion would be greatly appreciated. -- 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