mxl-meep

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Aktualisiert7. Februar 2026 um 01:19

This skill should be used when users need MaxwellLink + Meep FDTD workflows, including embedded vs socket coupling, MPI considerations, and recommended templates.

Installation

Mit Codex oder Claude installieren Kopieren Sie diesen Prompt, fügen Sie ihn in Codex, Claude oder einen anderen Assistant ein und lassen Sie die Skill-Seite prüfen und installieren.

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TaoELi

TaoELi/MaxwellLink

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SKILL.md

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name	mxl-meep
description	This skill should be used when users need MaxwellLink + Meep FDTD workflows, including embedded vs socket coupling, MPI considerations, and recommended templates.

Meep FDTD workflows (MaxwellLink)

Confirm prerequisites

Ensure pymeep is installed and importable before generating Meep-based inputs.
Use mxl.MeepSimulation (not raw meep.Simulation) when using the unified mxl.Molecule API.

Build a Meep-coupled run

Set time_units_fs explicitly and keep it consistent across analysis.
Create molecules with either:
- Embedded driver: Molecule(driver=..., driver_kwargs=...)
- Socket driver: SocketHub(...) + Molecule(hub=hub, ...)
For "baseline" EM-only runs (no molecules), use raw mp.Simulation(...); switch to mxl.MeepSimulation(...) only when MaxwellLink molecules are present (common when generating reference spectra/fields first, then enabling coupling).
Use boundary_layers=[mp.PML(...)], set resolution, and keep Courant=0.5 (Meep default).

Prefer templates

Start from the copy-ready templates:
- skills/mxl-project-scaffold/assets/templates/meep-tls-embedded
- skills/mxl-project-scaffold/assets/templates/meep-tls-socket-unix
- skills/mxl-project-scaffold/assets/templates/slurm-meep-plasmon-rteh-tcp (3D plasmonic structure + RT-Ehrenfest molecular lattice)
Use SLURM/HPC patterns from skills/mxl-hpc-slurm/SKILL.md for multi-node socket runs.

References

Recipes: skills/mxl-meep/references/meep_run_recipes.md
Docs: docs/source/em_solvers/meep.rst

MPI/libfabric init tips (macOS/local single-rank)

Sandbox note: sandboxed runs often block the libfabric endpoint; if MPI_Init_thread fails with ep_enable/socket errors, rerun unsandboxed (sandbox_permissions=require_escalated).
When Matplotlib is imported, set MPLCONFIGDIR=/tmp/mplconfig to avoid cache permission errors.

Other common bugs

The dimensions=... input can only be assigned in mxl.Molecule() not mxl.MeepSimulation(). For example, assigning dimensions=1 in both mxl.Molecule() and mxl.MeepSimulation() will lead to runtime error: meep: cannot require a ez component in a 1D grid.
In 1D and 2D simulations, mxl.Molecule (or molecular drivers) should have a transition dipole moment along z-direction, because mxl.MeepSimulation() sets the mxl.Molecule to emit only along z-direction in 1D and 2D.

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Meep FDTD workflows (MaxwellLink)

Confirm prerequisites

Ensure pymeep is installed and importable before generating Meep-based inputs.

Use mxl.MeepSimulation (not raw meep.Simulation) when using the unified mxl.Molecule API.

Build a Meep-coupled run

Set time_units_fs explicitly and keep it consistent across analysis.

Create molecules with either:

Embedded driver: Molecule(driver=..., driver_kwargs=...)
Socket driver: SocketHub(...) + Molecule(hub=hub, ...)

For "baseline" EM-only runs (no molecules), use raw mp.Simulation(...); switch to mxl.MeepSimulation(...) only when MaxwellLink molecules are present (common when generating reference spectra/fields first, then enabling coupling).

Use boundary_layers=[mp.PML(...)], set resolution, and keep Courant=0.5 (Meep default).

Prefer templates

Start from the copy-ready templates:

skills/mxl-project-scaffold/assets/templates/meep-tls-embedded
skills/mxl-project-scaffold/assets/templates/meep-tls-socket-unix
skills/mxl-project-scaffold/assets/templates/slurm-meep-plasmon-rteh-tcp (3D plasmonic structure + RT-Ehrenfest molecular lattice)

Use SLURM/HPC patterns from skills/mxl-hpc-slurm/SKILL.md for multi-node socket runs.

References

Recipes: skills/mxl-meep/references/meep_run_recipes.md

Docs: docs/source/em_solvers/meep.rst

MPI/libfabric init tips (macOS/local single-rank)

Sandbox note: sandboxed runs often block the libfabric endpoint; if MPI_Init_thread fails with ep_enable/socket errors, rerun unsandboxed (sandbox_permissions=require_escalated).

When Matplotlib is imported, set MPLCONFIGDIR=/tmp/mplconfig to avoid cache permission errors.

Other common bugs

The dimensions=... input can only be assigned in mxl.Molecule() not mxl.MeepSimulation(). For example, assigning dimensions=1 in both mxl.Molecule() and mxl.MeepSimulation() will lead to runtime error: meep: cannot require a ez component in a 1D grid.

In 1D and 2D simulations, mxl.Molecule (or molecular drivers) should have a transition dipole moment along z-direction, because mxl.MeepSimulation() sets the mxl.Molecule to emit only along z-direction in 1D and 2D.