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experimentlisted

Run a materials-science / ML compute job on Rockie GPU capacity. Trigger words "run experiment", "submit job", "/experiment", or requests to quote/approve GPU spend before an experiment. Picks the right GPU type and count from a natural-language description (DFT for QE/VASP/ABINIT, MD for GROMACS/LAMMPS/OpenMM, training for PyTorch/JAX), generates the script, routes Rockie-originated submits through the embedded budget-term-sheet gate plus `runtime/submit.py`, polls status, streams logs, and surfaces the final artifacts. Use this for anything that needs a GPU — single A100 up to multi-pod B200 clusters.
Rockielab/rockie-claude · ★ 20 · AI & Automation · score 76
Install: claude install-skill Rockielab/rockie-claude
# /experiment — submit a GPU job Wraps the Phase 5 job runner. The agent decides the GPU shape, writes the script, hands it to platform-context, and tails the run. ## Local execution FORBIDDEN Torch / triton / CUDA execution, weight downloads (HF), training, fine-tuning, heavy synthetic-data generation NEVER run on the orchestrator host or the Fly tenant runtime — they run ONLY on the Rockie GPU pod that this skill provisions. The PreToolUse hook `role-pre-bash-guard.sh` blocks such Bash invocations on the orchestrator; the runtime image's `torch/__init__.py` (plus `triton`, `tensorflow`, `jax`) stub raises on import inside Fly tenants. Both layers point at `POST $ROCKIELAB_API_URL/api/jobs/submit` with a base64-encoded script. See rockie-workspace#457. ## When to invoke - User asks to "run an experiment", "submit a job", "kick off a calculation", "train this model". - User describes a calculation that obviously needs a GPU (DFT, AIMD, large-scale MD with PME, model fine-tuning, inference batch). - User invokes `/experiment` directly. If the task is local-only (pre-processing, data wrangling, plotting), do NOT invoke `/experiment` — run it inline. The skill is for GPU-bound work that the user is willing to pay GPU credit for. ## First-experiment GPU disclosure Before submitting the user's FIRST experiment in a workspace, the agent emits **one neutral sentence** before proceeding: > Rockie provisions the GPU pod for this experiment, and the per-hour price > it qu