label: "<computer name>"
hostname: "<computer address>"
description: "<Computer at Institution>"
transport: core.ssh
scheduler: "core.slurm"
work_dir: "/PATH/TO/SCRATCH/<username>/AiiDA"
mpirun_command: "srun -n {tot_num_mpiprocs}"
mpiprocs_per_machine: "<NUM CORES PER NODE>"
prepend_text: ""
append_text: " "
shebang: "#!/bin/bash"
