IWU Computational Chemistry Cluster – Sisyphus
This document provides an overview of the Sisyphus cluster used by the IWU Chemistry department.
title: Teaching and Research Equipment layout: page
🔧 System Overview
| Description | ||
|---|---|---|
| Operating System | Ubuntu 24.04 LTS | |
| Scheduler | SLURM | |
| Storage | /home (NFS), /scratch (local scratch on worknodes) |
💻 Worker Node Specifications
| Node Name | CPU Model | Cores | RAM | Dedicated GPU | Notes |
|---|---|---|---|---|---|
worknode[1-2] |
2x AMD EPYC 7543 | 64 | 1TB | None | CPUs treated as consumable resource by slurm |
Puget1 |
Intel Xeon E5-2630 | 32 | 128GB | NVIDIA GeForce GTX 980 | coming online soon |
Puget2 |
Intel Core i9 7980XE | 18 | 96GB | NVIDIA Titan Xp 12GB | coming online soon |
📦 Available Software
| Software | Version(s) | Description |
|---|---|---|
| PSI4 | nightly GitHub build | Quantum chemistry |
| Gaussian | 2016 | Quantum Chemistry (restricted access) |
| Molpro | 2024 | Quantum Chemistry |
| NAMD | 3.0 | Molecular Dynamics |
| VMD | 2.0 | Molecular Dynamics Visualization |
📞 Contact
For access requests, issues, or help using the cluster, contact: Dr. Nate Kitzmiller nate.kitzmiller@indwes.edu*
Last updated: May 2025