TaoELi

mxl-troubleshoot

6
1
# Install this skill:
npx skills add TaoELi/MaxwellLink --skill "mxl-troubleshoot"

Install specific skill from multi-skill repository

# Description

This skill should be used when MaxwellLink simulations stall, diverge, or produce missing/incorrect observables; it provides a first-aid checklist for sockets, units, and driver configuration.

# SKILL.md


name: mxl-troubleshoot
description: This skill should be used when MaxwellLink simulations stall, diverge, or produce missing/incorrect observables; it provides a first-aid checklist for sockets, units, and driver configuration.


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 time_units_fs 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 get_available_host_port(localhost=False) fails on a locked-down cluster, avoid outbound probes: bind the hub to host="" and write a reachable hostname via MXL_HOST 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.

# Supported AI Coding Agents

This skill is compatible with the SKILL.md standard and works with all major AI coding agents:

Learn more about the SKILL.md standard and how to use these skills with your preferred AI coding agent.