hpc-runtime-doctor

HeshamFS

Aktualisiert 2 days ago

7 Ansichten

Designaiapi

Über

Diese Claude Skill diagnostiziert Laufzeit- und Scheduler-Probleme bei Hochleistungsrechen-(HPC) Materialsimulationen. Sie analysiert Probleme wie MPI/OpenMP-Layout, GPU-Nutzung, Environment-Module und Ressourcenfehlanpassungen, wenn Jobs in einem Cluster fehlschlagen oder unterdurchschnittlich performen. Nutzen Sie sie, um eine Diagnose, eine Umgebungscheckliste und einen sicheren Wiederholungsplan für Portabilitäts- und Leistungsprobleme zu erhalten.

Schnellinstallation

Claude Code

Dokumentation

HPC Runtime Doctor

Goal

Turn cluster symptoms into a resource-layout diagnosis, environment checklist, and safe retry plan.

Requirements

Python 3.10+
No external dependencies
Works on Linux, macOS, and Windows

Inputs to Gather

Input	Description	Example
Scheduler	SLURM, PBS, LSF, local	`slurm`
Nodes/tasks/threads	Runtime layout	`2 nodes, 128 tasks, 2 threads`
GPUs	GPUs requested	`4`
Symptoms	Observed failure	`oom,killed,slow-gpu`
MPI/OpenMP/GPU use	Parallel modes	`mpi+openmp+gpu`
Walltime	Requested time	`12:00:00`
Scratch	Whether scratch is used	`true`

Decision Guidance

Check resource layout before changing physics settings.
Confirm module/compiler/MPI/CUDA consistency before debugging solver behavior.
Treat missing restart files and scratch cleanup as workflow failures, not physics failures.
For GPU jobs, confirm the executable was built with the requested accelerator backend.

Script Outputs

scripts/hpc_runtime_doctor.py emits:

resource_layout
diagnoses
environment_checks
retry_plan
scheduler_notes

Workflow

python3 skills/hpc-deployment/hpc-runtime-doctor/scripts/hpc_runtime_doctor.py \
  --scheduler slurm \
  --nodes 2 \
  --tasks 128 \
  --cpus-per-task 2 \
  --gpus 4 \
  --symptoms oom,slow-gpu \
  --uses-mpi \
  --uses-openmp \
  --uses-gpu \
  --json

Error Handling

Invalid resource counts stop with exit code 2. Unknown symptoms are preserved as custom items for human review.

Limitations

This skill does not query a live scheduler. It diagnoses from the submitted layout and symptoms.

Security

Inputs are scalar CLI values and booleans only.
The script does not execute scheduler commands or inspect environment variables.
The skill uses Bash only to run its bundled script.

References

See references/hpc_runtime_patterns.md for scheduler and runtime diagnosis patterns.

Version History

1.0.0: Initial HPC runtime diagnosis skill.

GitHub Repository

HeshamFS/materials-simulation-skills

Pfad: skills/hpc-deployment/hpc-runtime-doctor

agent-skillsagentscli-toolscomputational-sciencellmmaterials-science