:orphan: How to define an alternative MPI launcher ----------------------------------------- The pam script by default launches MPI runs with mpirun. If you cannot use mpirun because you are on a system which does not support it or which offers alternative MPI launchers (SGI, Cray), you can define your own DIRAC_MPI_COMMAND like this:: $ export DIRAC_MPI_COMMAND="mpirun -np 8" $ export DIRAC_MPI_COMMAND="mpprun" $ export DIRAC_MPI_COMMAND="aprun -n 24" This will then launch:: $DIRAC_MPI_COMMAND dirac.x instead of:: mpirun -np N dirac.x Note that ``--mpi`` overrides DIRAC_MPI_COMMAND. Passing arguments to MPI launcher --------------------------------- You can pass arguments to the MPI launcher, for example:: ./pam --scratchfull="/tmp/milias/TEST" --noarch --mpiarg="-x PATH -x LD_LIBRARY_PATH --wdir '/tmp/milias/TEST'" --mpi=4 --inp=cc.inp --mol=N2.ccpVDZ.mol Note that you have provide proper workdir (the ``--wdir`` flag) for your MPI launcher, otherwise it ends with error. Concerning passing of environmental variables (through the ``-x`` flag), if the variable is not defined, the MPI launcher gives warning (like ``Warning: could not find environment variable "LD_LIBRARY_PATHx"``).