Diagnose HPC runtime and scheduler problems for materials simulations, including MPI/OpenMP/GPU layout, modules, CUDA/Kokkos hints, scratch paths, walltime, job arrays, restart strategy, scheduler portability, and resource mismatch. Use when an ALREADY-SUBMITTED job failed, ran slowly, got killed, or behaved differently on a cluster than on a workstation.
Install
npx skills add HeshamFS/materials-simulation-skills --skill hpc-runtime-doctornpx skills add HeshamFS/materials-simulation-skills --skill hpc-runtime-doctor -a claude-code -gnpx skills add HeshamFS/materials-simulation-skills --skill hpc-runtime-doctor -a codex -ggemini skills install https://github.com/HeshamFS/materials-simulation-skills.git --path skills/hpc-deployment/hpc-runtime-doctorgh skill install HeshamFS/materials-simulation-skills hpc-runtime-doctorgit clone --depth 1 https://github.com/HeshamFS/materials-simulation-skills /tmp/HeshamFS__materials-simulation-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/HeshamFS__materials-simulation-skills/skills/hpc-deployment/hpc-runtime-doctor ~/.claude/skills/hpc-runtime-doctor # Claude Code
cp -R /tmp/HeshamFS__materials-simulation-skills/skills/hpc-deployment/hpc-runtime-doctor ~/.agents/skills/hpc-runtime-doctor # Codex, Cursor, Gemini CLI, Copilot, OpenCode