Installation instructions for system administratorsΒΆ

Please read the other installation sections for details but the installation procedure is typically this:

$ ./setup --mpi --mkl=parallel --prefix=/full/install/path/
$ cd build
$ make [-j]
$ export DIRAC_TMPDIR=/full/path/scratch
$ export DIRAC_MPI_COMMAND="mpirun -np 8" # make test will run with MPI using 8 processes
$ make test
$ make install

This will install binaries, run scripts, the basis set library, as well as tools into the install path.

Advise users to always set a suitable scratch directory:

$ export DIRAC_TMPDIR=/full/path/scratch

If your system runs MPI jobs with mpirun, the pam script can be called with the --mpi flag:

$ pam [other flags] --mpi=8      # will run "mpirun -np 8 dirac.x"

You can define a custom MPI launcher with DIRAC_MPI_COMMAND, in this case do not use --mpi flag:

$ export DIRAC_MPI_COMMAND="mpirun -np 8"
$ pam [other flags]              # no --mpi flag