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simulation-failure-triage

HeshamFS
更新于 2 days ago
8 次查看
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开发ai

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
主要方式
npx skills add HeshamFS/materials-simulation-skills -a claude-code
插件命令备选方式
/plugin add https://github.com/HeshamFS/materials-simulation-skills
Git 克隆备选方式
git 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

InputDescriptionExample
CodeSimulation codeLAMMPS, VASP, MOOSE, QE
StageSetup, runtime, postprocessruntime
SymptomsFailure signsnan,pressure-blowup
Log text or fileError evidenceLost atoms, ZBRENT
Recent changeLast modified settinglarger 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_causes
  • immediate_actions
  • retry_ladder
  • stop_conditions
  • evidence

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 Bash only to run its bundled script.

References

  • See references/failure_patterns.md for common failure signatures and retry ladders.

Version History

  • 1.0.0: Initial cross-code simulation failure triage skill.

GitHub 仓库

HeshamFS/materials-simulation-skills
路径: skills/robustness/simulation-failure-triage
0
agent-skillsagentscli-toolscomputational-sciencellmmaterials-science

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