Hi Sunita My guess is that you are picking a wrong mpiexec, because of the way you set your PATH. What do you get from "which mpiexec"?
Try *pre-pending" the OpenMPI path to the existing PATH, instead of appending it (that's what you did with the LD_LIBRARY_PATH): export PATH=/home/sunitap/soft/openmpi/bin:$PATH My $0.02 Gus Correa --------------------------------------------------------------------- Gustavo Correa Lamont-Doherty Earth Observatory - Columbia University Palisades, NY, 10964-8000 - USA --------------------------------------------------------------------- sun...@chem.iitb.ac.in wrote:
Dear Open-mpi users, I installed openmpi-1.4.1 in my user area and then set the path for openmpi in the .bashrc file as follow. However, am still getting following error message whenever am starting the parallel molecular dynamics simulation using GROMACS. So every time am starting the MD job, I need to source the .bashrc file again. Earlier in some other machine I did the same thing and was not getting any problem. Could you guys suggest what would be the problem? ============.bashrc============ #path for openmpi export PATH=$PATH:/home/sunitap/soft/openmpi/bin export CFLAGS="-I/home/sunitap/soft/openmpi/include" export LDFLAGS="-L/home/sunitap/soft/openmpi/lib" export LD_LIBRARY_PATH=/home/sunitap/soft/openmpi/lib:$LD_LIBRARY_PATH ============== error message ============== mdrun_mpi: error while loading shared libraries: libmpi.so.0: cannot open shared object file: No such file or directory ============================================ Thanks for any help. Best regards, Sunita _______________________________________________ users mailing list us...@open-mpi.org http://www.open-mpi.org/mailman/listinfo.cgi/users
