Prepare run: To prepare a run using the CLI, add the --prepare argument. Additional arguments are: -prep_dir, -run, -mpi_args, -restart_file, -share_lic

--prepare

Example:

forte.sh CLI -project myProject.ftsim --prepare -mpi_args 4

MPI processes: Specify the number of MPI processes to use with the mpi command (specify -1 to omit the -n argument from the mpirun command). If you do not specify this option, by default the run will be serial.

-mpi_args 8

Parameter study name: Specify the name of the parameter study run. If omitted, Nominal is assumed.

-run Nominal

Restart file: (Optional) Specify a restart file to continue a run.

-restart_file

Restart results: (Optional) Specify a results file with which to append a restarted run.

-restart_results

License Sharing: (Optional) By default forte CLI does not share licenses for execution. Specify true to enable license sharing.

-share_lic true

To submit a job after it has been prepared, pass the --submit option. If the run has been prepared in a different location than the default, pass an additional argument -prep_dir to indicate where the prepared job resides.

Example:

forte.sh CLI -project myProject.ftsim --submit

By default, submitting a job with the CLI will launch the process in the background and return right away. To instead force the CLI to wait for the run to complete before returning, pass the --wait argument to the CLI.

Example:

forte.sh CLI -project myProject.ftsim --submit --wait