sun...@chem.iitb.ac.in wrote:
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.
      
Have you set OPAL_PREFIX to /home/sunitap/soft/openmpi?
    
How to set OPAL_PREFIX?
During the installation of openmpi, I ran configure with
--prefix=/home/sunitap/soft/openmpi
Did you mean this?
  
No.  The "OPAL_PREFIX" steps occurs after you configure, build, and install OMPI.  At the time that you run MPI programs, set the "OPAL_PREFIX" environment variable to /home/sunitap/soft/openmpi.  The syntax depends on your shell.  E.g., for csh:

setenv OPAL_PREFIX /home/sunitap/soft/openmpi

The sequence might be something like this:

./configure --prefix=/home/sunitap/soft/openmpi
make
make install
cd /home/sunitap/soft/openmpi/examples
mpicc connectivity_c.c
setenv OPAL_PREFIX /home/sunitap/soft/openmpi
mpirun -n 2 ./connectivity_c

though I didn't check all those commands out.

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