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
