simulation-failure-triage
关于
This skill helps developers triage failed materials simulations by diagnosing common issues like nonconvergence, NaN/Inf errors, and unstable timesteps. It proposes safe, defensible retry ladders and immediate actions for recovery. Use it when you encounter a suspicious or failed simulation and need a structured first response.
快速安装
Claude Code
推荐npx skills add HeshamFS/materials-simulation-skills -a claude-code/plugin add https://github.com/HeshamFS/materials-simulation-skillsgit clone https://github.com/HeshamFS/materials-simulation-skills.git ~/.claude/skills/simulation-failure-triage在 Claude Code 中复制并粘贴此命令以安装该技能
技能文档
Simulation Failure Triage
Goal
Classify common simulation failure signatures and return immediate actions, retry ladders, and stop conditions.
Requirements
- Python 3.10+
- No external dependencies
- Works on Linux, macOS, and Windows
Inputs to Gather
| Input | Description | Example |
|---|---|---|
| Code | Simulation code | LAMMPS, VASP, MOOSE, QE |
| Stage | Setup, runtime, postprocess | runtime |
| Symptoms | Failure signs | nan,pressure-blowup |
| Log text or file | Error evidence | Lost atoms, ZBRENT |
| Recent change | Last modified setting | larger timestep |
Decision Guidance
- First preserve evidence: logs, inputs, executable version, and scheduler output.
- Separate setup errors from numerical instability and physical model issues.
- Retry with a single controlled change.
- Stop retrying when the result becomes scientifically meaningless or a required model input is missing.
Script Outputs
scripts/failure_triage.py emits:
likely_causesimmediate_actionsretry_ladderstop_conditionsevidence
Workflow
python3 skills/robustness/simulation-failure-triage/scripts/failure_triage.py \
--code LAMMPS \
--stage runtime \
--symptoms nan,pressure-blowup \
--recent-change "increased timestep" \
--json
Error Handling
Invalid stages or oversized log files stop with exit code 2. Unknown symptoms are retained as custom evidence.
Limitations
This skill gives first-response triage. It does not guarantee that a failed simulation can be repaired.
Security
- Log files are read with a 10 MB size cap.
- Log text is truncated and never executed.
- The script does not run external solvers.
- The skill uses
Bashonly to run its bundled script.
References
- See
references/failure_patterns.mdfor common failure signatures and retry ladders.
Version History
- 1.0.0: Initial cross-code simulation failure triage skill.
GitHub 仓库
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