hpc-mcp

🌀 Agentic MCP tools for High Performance Computing

Related Projects

• flux-mcp: MCP functions for Flux Framework.
• fractale: (fractale) MCP orchestration (agents, databases, ui interfaces).

Usage

This is a library of MCP tools (functions, prompts, and resources) intended for converged computing and HPC use cases. A demo server is provided here, and largely functions are expected to be used a-la-carte as imports to other libraries. We welcome contributions of all functions types that are related to HPC, converged computing, and science. These MCP tools can be used via a standalone server, or combined with other tools.

Environment

Control of tools (access, limits, etc.) is done by way of the environment.

Server

We provide examples for fastmcp and a vanilla mcp (stdio) setup. Neither requirements are added to the install directly, so it's up to the user (you) to install. Tests are performed with fastmcp (TBA)

#### fastmcp

You will need fastapi and fastmcp installed.

# fastmcp
pip install fastmcp fastapi

To start the demo server:

# Vanilla MCP (with cli)
echo '{"jsonrpc": "2.0", "id": 1, "method": "initialize", "params": {"protocolVersion": "2024-11-05", "capabilities": {}, "clientInfo": {"name": "test", "version": "1.0"}}}' | python3 -m hpc_mcp.server | jq

# Initialize and list tools
(echo '{"jsonrpc": "2.0", "id": 1, "method": "initialize", "params": {"protocolVersion": "2024-11-05", "capabilities": {}, "clientInfo": {"name": "manual-test", "version": "1.0"}}}';
 echo '{"jsonrpc": "2.0", "method": "notifications/initialized"}';
 echo '{"jsonrpc": "2.0", "id": 2, "method": "tools/list"}') | python3 -m hpc_mcp.server | jq

# FastMCP
python3 -m hpc_mcp.server.fastmcp

Testing

I will add tools to git as I write tests for them. To test, start the fastmcp server in one terminal:

python3 -m hpc_mcp.server.fastmcp

In another terminal, run the test. You'll need to pip install pytest pytest-asyncio

pytest -xs tests/test_build_docker.py

# or
pytest -xs tests/test_*.py

TODO

• Add annotated descriptions to all functions for LLM.

Tools to add:

• helpers
• debug
• result parser (regular expressions)
• kubernetes
• deploy job
• deploy minicluster

License

DevTools is distributed under the terms of the MIT license. All new contributions must be made under this license.

See LICENSE, COPYRIGHT, and NOTICE for details.

SPDX-License-Identifier: (MIT)

LLNL-CODE- 842614