Installation instructions for system administrators¶
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