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mpi_command.txt

Guest on 26th April 2022 10:07:17 AM

  1. How to define an alternative MPI launcher
  2. -----------------------------------------
  3.  
  4. The pam script by default launches MPI runs with mpirun. If you cannot use mpirun
  5. because you are on a system which does not support it or which offers alternative MPI launchers
  6. (SGI, Cray), you can define your own DIRAC_MPI_COMMAND like this::
  7.  
  8.   $ export DIRAC_MPI_COMMAND="mpirun -np 8"
  9.   $ export DIRAC_MPI_COMMAND="mpprun"
  10.   $ export DIRAC_MPI_COMMAND="aprun -n 24"
  11.  
  12. This will then launch::
  13.  
  14.   $DIRAC_MPI_COMMAND dirac.x
  15.  
  16. instead of::
  17.  
  18.   mpirun -np N dirac.x
  19.  
  20. Note that ``--mpi`` overrides DIRAC_MPI_COMMAND.
  21.  
  22. Passing arguments to MPI launcher
  23. ---------------------------------
  24.  
  25. You can pass arguments to the MPI launcher, for example::
  26.  
  27.   ./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
  28.  
  29. Note that you have provide proper workdir (the ``--wdir`` flag) for your MPI launcher, otherwise it ends with error.
  30.  
  31. Concerning passing of environmental variables (through the ``-x`` flag), if the variable is not defined,
  32. the MPI launcher gives warning (like ``Warning: could not find environment variable "LD_LIBRARY_PATHx"``).

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