ParaTools Pro for E4S™: AI/ML & HPC Tools on CycleCloud (AMD64)

Overview

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ParaTools Pro for E4S™ is the Extreme-scale Scientific Software Stack hardened for commercial clouds, providing a platform for developing and deploying HPC and AI/ML applications on clusters provisioned by Microsoft Azure CycleCloud. The login node offers a VNC-based remote desktop (TigerVNC with a GNOME desktop) for interactive work. Compute nodes are interconnected by a low-latency, high-bandwidth MVAPICH MPI implementation (MVAPICH4-Plus) tuned for Microsoft Azure's InfiniBand-enabled VMs. The image bundles over 100 HPC tools from E4S 26.06, built on Ubuntu 24.04 LTS with the Spack package manager. Ready-to-use tools include:

• HPC applications: OpenFOAM, LAMMPS, Xyce, CP2K, WRF, Nek5000, GROMACS, Quantum ESPRESSO
• Numerical libraries: PETSc, Trilinos, hypre, SuperLU-Dist, SUNDIALS, Kokkos, RAJA
• Performance tools: TAU, HPCToolkit, PAPI
• Python-based AI/ML tools (unified CUDA-enabled environment): PyTorch, TensorFlow, JAX, Keras, vLLM, SGLang, Hugging Face Transformers, NVIDIA NeMo™ and BioNeMo frameworks, Ray, XGBoost, scikit-learn, OpenCV, matplotlib, and JupyterLab with Jupyter notebooks, plus Ollama for local LLM serving and one-command installers for the NVIDIA NemoClaw and OpenClaw agentic AI frameworks
• Containers and orchestration: Docker, Podman, Singularity, and Kubernetes (K3s)
• Also included: Julia (with CUDA and MPI support), the Codium IDE, ParaView, and VisIt

Multi-GPU and multi-node communication is accelerated by NVIDIA NCCL, NVSHMEM, and NIXL. New packages can be installed with Spack or pip and are accessible on both login and compute nodes. ParaTools Pro can be used to develop the next generation of generative AI applications using its suite of Python tools and interfaces.

About E4S

E4S™ provides a unified computing environment for deployment of open-source projects, originally developed to support the exascale leadership computing systems being deployed at DOE National Laboratories across the U.S. ParaTools, Inc. offers optional paid support and updates for ParaTools Pro for E4S™.

Who benefits

Users who need to stand up an HPC cluster with a complete AI/ML or HPC software stack will benefit from this offer. Building and configuring software for a consistent, robust, and performant environment is surprisingly difficult. This product delivers that stack out of the box. Use Spack to install additional custom software, or combine the pre-built components to build your own solutions.

Acknowledgment

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research (ASCR), under SBIR Award Number DE-SC0022502 ("E4S: Extreme-Scale Scientific Software Stack for Commercial Clouds").

Note: This product contains repackaged and tuned open-source software, e.g., E4S™, Spack, and AI/ML tools like NVIDIA NeMo™, JAX, and Keras.