The participant kit from the session "Getting Started Using AI Agents for Research/HPC" at the NCSA Regional Workshop on AI (Mon 2026-10-05), run on NCSA's Delta supercomputer. About 50 researchers each worked with a coding agent on a compute node: first a prepared topic taken to a checked result, then an open-ended problem of their own.
This repository is the kit as published to participants that morning. It is shared as a worked example of how to scaffold an agent for hands-on work on a shared HPC system; it is not a product, and it does not run unchanged anywhere but Delta.
| Path | What it is |
|---|---|
workspace-template/ |
What each participant's workspace starts from |
workspace-template/AGENTS.md |
The house rules every agent harness reads first: how to work, what never to do, and why |
workspace-template/guide/ |
One short script per session module (launch, orient, plan, environment, build, run, analyze, open-ended, wrap) |
workspace-template/topics/ |
Four prepared topics (GPU training, a physics-informed network, LLM batch inference, compiled OpenMP/MPI code), each with a job script and a checker, plus the open-ended part |
workspace-template/PERMISSIONS.md |
What the agent runs freely, what asks first, what never runs, and which files decide |
workspace-template/FAQ.md, PROMPTS.md |
Short answers the agent starts from; prompts for going further |
workspace-template/ON-YOUR-OWN.md |
The take-home guide: setting up an agent for your own project from an empty directory |
workspace-template/opencode.json.in, .claude/ |
The permission maps for opencode and Claude Code |
bin/, lib/ |
The ws-* helper scripts: ws-init (make a workspace), ws-submit (sbatch with the workshop's checks), ws-wait, ws-log, ws-check, ws-status, ws-progress and others |
room/ |
The participants' quick card and the helpers' triage sheet |
env.sh, workshop.env.example |
The environment a participant sources, and every operator setting with a comment |
KIT-NOTES.md |
The kit's internal README, unedited: layout and conventions (it mentions tests and operator scripts that are not in this repository) |
- To see how the agent was instructed:
workspace-template/AGENTS.md, thenworkspace-template/guide/01-orient.md. - To set up an agent for your own project:
workspace-template/ON-YOUR-OWN.md. It has a starterAGENTS.md, starter permissions for opencode and Claude Code, the module-plus-venv environment pattern, and plainsbatchwithout the workshop's helpers. - To reuse a helper: the scripts in
bin/are plain bash with a shared library inlib/ws-common.sh.
- Delta: Slurm, Lmod modules (
pytorch-conda/2.12,llmflux), thecpuandgpuA40x4partitions, and NCSA'shpc-gptmodule (opencode with the NCSA Lumen model service). - A staged read-only copy with data, two small models and a container, which are not in this repository.
- Operator settings in a
workshop.envrendered fromworkshop.env.example: accounts, partitions, a reservation, the model list.<code>in the text stands for the workshop's allocation code, and/path/to/site-lumen-keyfor the site's model-service key file.
To adapt it to another cluster, expect to change the settings file, the module names in the topics' job
scripts, and the Delta facts in AGENTS.md, FAQ.md and the room cards.
The test suite, the dry-run simulator used to rehearse the session with scripted participants, and the operator scripts for staging and publishing are not in this repository.
- One file of rules, with reasons.
AGENTS.mdis kept under 12 KB and every hard rule says why. - Evidence before claims. A job counts only with its
KEY: valueevidence line in the log and the scheduler's record;ws-checkgrades that, and exit 0 is not success. - A plan the participant approves in words before anything is submitted.
- Permissions by the harness, not by the model. The examples in
PERMISSIONS.mdwere tested against the real permission map. - No session clock. The facilitator paces the room; every module ends with what happened, two questions the participant might ask, and the next step with what to type.
Apache License 2.0; see LICENSE. Provided as is, without warranty.
Questions about Delta: help@ncsa.illinois.edu. Delta documentation: https://docs.ncsa.illinois.edu/systems/delta/en/latest/