Troubleshooting first aid

Socket stalls or deadlocks

• Verify hub and driver agree on --unix/--address/--port and the same UNIX socket name or TCP port.
• For SLURM two-step runs, confirm the host/port file is written to a shared directory and the driver job waits until it exists.
• Increase timeout for HPC and slow drivers; reduce latency only after basic correctness is verified.
• Launch external drivers only once under MPI (rank 0).

Unit and axis mismatches

• For Meep, verify timeunitsfs is set and consistent; time is reported in atomic units in driver histories.
• Verify orientation (TLS/QuTiP preset) and coupling_axis (SingleMode/LaserDriven) are consistent with simulation dimensionality.

Driver errors

• Confirm optional dependencies are installed in the driver environment (pymeep, qutip, psi4, ase).
• For ASE/LAMMPS, confirm per-atom charges exist (charges=[...] or recompute_charges=true).
• If getavailablehostport(localhost=False) fails on a locked-down cluster, avoid outbound probes: bind the hub to host="" and write a reachable hostname via MXLHOST or hostname -f.
• Enable checkpoint=true/restart=true when drivers may be pre-empted.

Next actions

• Compare behavior to minimal reference tests under tests/.
• Use skills/mxl-postprocess/SKILL.md to export and inspect diagnostics.