Sold by: ParaTools Inc.
Deployed on AWS
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This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using Adaptive Computing's Heidi AI Cloud Supercomputer, with over 100 HPC and AI/ML tools, a remote desktop environment (VNC), and cluster configuration built using the Spack package manager and an MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Keras, and Horovod tuned for AWS and Heidi, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, deal.II, GROMACS and Quantum Espresso).
Overview
ParaTools Pro for E4S™ - the Extreme-scale Scientific Software Stack, E4S™ hardened for commercial clouds and supported by ParaTools, Inc. provides a platform for developing and deploying HPC and AI/ML applications. This product is designed for use with Adaptive Computing's Heidi AI Cloud Supercomputer , providing multi-cloud HPC orchestration with automated infrastructure deployment, scaling, and cluster monitoring. It features a performant remote desktop environment (based on VNC) on the login node and compute nodes interconnected by a low-latency, high bandwidth network adapter based on AWS Elastic Fabric Adapter (EFA). ParaTools Pro for E4S™ features a suite of over 100 HPC tools built using the Spack package manager and an MVAPICH MPI tuned for EFA. It features ready to use HPC applications (such as OpenFOAM, World Research and Forecasting Model-WRF, LAMMPS, Xyce, CP2K, deal.II, GROMACS, Quantum Espresso) as well as AI/ML tools based on Python (such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Horovod, Keras, OpenCV, matplotlib and supports Jupyter notebooks) and the Codium IDE. New packages can be easily installed using Spack and pip and are accessible on the cluster compute and login nodes. It may be used for developing the next generation of generative AI applications using a suite of Python tools and interfaces.
E4S™ has built a unified computing environment for deployment of open-source projects. E4S™ was originally developed to provide a common software environment for the exascale leadership computing systems currently being deployed at DOE National Laboratories across the U.S. Support for ParaTools Pro for E4S™ is available through ParaTools, Inc. This product has additional charges associated with it for optional product support and updates.
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™, Horovod, JAX, Keras etc.) which is configured and linked against an MVAPICH MPI implementation specifically developed and tuned for EFA.
The full list of E4S applications installed via Spack is as follows:
- adios2
- adios
- alquimia
- aml
- amrex
- arborx
- argobots
- ascent
- axom
- boost
- bricks
- butterflypack
- cabana
- caliper
- chai
- chapel
- charliecloud
- conduit
- cp2k
- cusz
- darshan-runtime
- darshan-util
- datatransferkit
- dealii
- dyninst
- e4s-alc
- e4s-cl
- ecp-data-vis-sdk
- exago
- exaworks
- faodel
- fftx
- flecsi
- flit
- flux-core
- fortrilinos
- fpm
- gasnet
- ginkgo
- globalarrays
- gmp
- gotcha
- gptune
- gromacs
- h5bench
- hdf5-vol-async
- hdf5-vol-cache
- hdf5-vol-log
- hdf5
- heffte
- hpctoolkit
- hpx
- hypre
- kokkos-kernels
- kokkos
- laghos
- lammps
- lbann
- legion
- libcatalyst
- libnrm
- libpressio
- libquo
- libunwind
- loki
- magma
- mercury
- metall
- mfem
- mgard
- mpark-variant
- mpifileutils
- nccmp
- nco
- nek5000
- nekbone
- netcdf-fortran
- netlib-scalapack
- nrm
- nwchem
- omega-h
- openfoam
- openmpi
- openpmd-api
- papi
- papyrus
- parallel-netcdf
- paraview
- parsec
- pdt
- petsc
- phist
- plasma
- plumed
- precice
- pruners-ninja
- pumi
- py-cinemasci
- py-h5py
- py-jupyterhub
- py-libensemble
- py-petsc4py
- qthreads
- quantum-espresso
- raja
- rempi
- scr
- slate
- slepc
- stc
- strumpack
- sundials
- superlu-dist
- superlu
- swig
- sz3
- sz
- tasmanian
- tau
- trilinos
- turbine
- umap
- umpire
- unifyfs
- upcxx
- variorum
- veloc
- visit
- vtk-m
- wannier90
- wps
- wrf
- xyce
- zfp
Highlights
- ParaTools Pro for E4S™ and Machine Learning stacks, including NVIDIA NeMo™, built and optimized for AWS EFA and Heidi
- A MVAPICH MPI implementation that offers lower latency and higher throughput than default OpenMPI implementations for pre-installed applications and user installed applications
- Over 100 HPC and AI applications managed via the Spack package manager, with VNC remote desktop for interactive computing
Details
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Delivery method
Delivery option
64-bit (Arm) Amazon Machine Image (AMI)
Latest version
Operating system
Ubuntu 24.04
Deployed on AWS
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Dimension | Cost/hour |
|---|---|
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c6gd.8xlarge | $0.99 |
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t4g.micro | $0.99 |
is4gen.medium | $0.99 |
a1.large | $0.99 |
c6g.xlarge | $0.99 |
m6gd.medium | $0.99 |
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Refund Policy: The standard refund policy outlined here will be followed: https://docs.aws.amazon.com/marketplace/latest/userguide/refunds.html
Any additional refund enquiries can be sent to support@paratools.com and will be considered individually on a case by case basis.
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Delivery details
64-bit (Arm) Amazon Machine Image (AMI)
Amazon Machine Image (AMI)
An AMI is a virtual image that provides the information required to launch an instance. Amazon EC2 (Elastic Compute Cloud) instances are virtual servers on which you can run your applications and workloads, offering varying combinations of CPU, memory, storage, and networking resources. You can launch as many instances from as many different AMIs as you need.
Version release notes
- Adaptive Heidi release: v2.0
- E4S release: 25.11
- Default MPI: MVAPICH-4 Plus
- OS: Ubuntu 24.04
*** UNIFIED IMAGE NOTICE *** Single unified image serves both Heidi Server (head node) and Heidi Node (compute node) roles. Image auto-detects role at boot when deployed with Adaptive Computing's Heidi AI Cloud Supercomputer. Also usable standalone as a development environment.
*** OS UPGRADE NOTICE *** This release upgrades the arm64 image from Ubuntu 22.04 + E4S 25.06 to Ubuntu 24.04 + E4S 25.11. Default SSH user remains ubuntu.
IMPORTANT:
- Usable standalone as a development environment or shared-memory system. Multi-node TORQUE-scheduled jobs and cluster orchestration activate when deployed with Adaptive Computing's Heidi AI Cloud Supercomputer.
- MVAPICH-4 Plus provides optimized multi-node support without strictly requiring EFA-enabled instances; EFA is still recommended for best performance.
Updates in this version: Platform:
- E4S 25.11 scientific software stack (upgrade from E4S 25.06)
- Ubuntu 24.04 (upgrade from Ubuntu 22.04)
- MVAPICH-4 Plus -- MPI library tuned for AWS EFA and CUDA (MVAPICH 4.1 core, Hydra 4.3.0 process manager)
- CUDA 12.9, gcc 13.3.0
- ParaView 5.13.3, VisIt (visualization; ParaView available via Spack)
- TurboVNC 3.2.1 + noVNC 1.4.0 (VNC-based web remote desktop)
AI/ML stack (system Python env, /opt/python/pkgs/python-3.12.12):
- PyTorch 2.10.0 + torchvision
- TensorFlow 2.20.0
- Keras 3.14.0
- JAX 0.10.0
- vLLM 0.19.0
- OpenCV 4.13.0
- Hugging Face Transformers 4.53.3, HF Hub
- Triton 3.6.0, mpi4py 4.1.1
- Gradio, LangChain, OpenAI SDK
- Ollama (local LLM inference)
- JupyterLab + Notebook, Marimo
- NumPy, SciPy, Pandas, Matplotlib, Seaborn, Plotly, GeoPandas
NeMo / BioNeMo stack (segregated venv, activate via . /usr/local/py-env/nemo/bin/activate):
- NVIDIA NeMo Toolkit 2.5.3
- NVIDIA BioNeMo suite (core 2.4.5, fw 2.7.1, ESM-2, Evo2, AMPLIFY, Geneformer, MoCo, scDL)
- PyTorch 2.9.1
- Megatron-Core 0.14 + Megatron-Bridge, Megatron-FSDP, Megatron-Energon
- Flash-Attention 2.7.4
- PyTorch Lightning 2.4.0, Accelerate 1.13.0
- Diffusers 0.37.1, PEFT 0.19.1
Containers + orchestration:
- Docker, Podman, Singularity-CE 4.4.1
- k3s + kubectl
IDE:
- VS Codium
Packages installed via Spack:
- adios@1.13.1
- adios2@2.10.2
- adios2@2.11.0
- alquimia@1.1.0
- aml@0.2.1
- amrex@25.10
- arborx@1.5
- arborx@2.0.1
- argobots@1.2
- ascent@0.9.5
- axom@0.10.1
- boost@1.88.0
- butterflypack@3.2.0
- cabana@0.7.0
- caliper@2.12.1
- chai@2025.03.0
- chapel@2.6.0
- charliecloud@0.40
- conduit@0.9.5
- cusz@0.14.0
- darshan-runtime@3.4.7
- darshan-util@3.4.7
- datatransferkit@3.1.1
- dyninst@13.0.0
- e4s-alc@1.0.3
- e4s-cl@1.0.5
- exago@1.6.0
- faodel@1.2108.1
- fftx@1.2.0
- flecsi@2.4.1
- flit@2.1.0
- fpm@0.10.0
- gasnet@2025.8.0
- ginkgo@1.10.0
- globalarrays@5.8.2
- glvis@4.4
- gmp@6.3.0
- gotcha@1.0.8
- gptune@4.0.0
- gromacs@2025.3
- h5bench@1.4
- hdf5@1.14.6
- hdf5-vol-async@1.7
- hdf5-vol-cache@v1.1
- hdf5-vol-log@1.4.0
- heffte@2.4.1
- hpctoolkit@2025.1.0
- hpx@1.11.0
- hypre@2.33.0
- kokkos@4.7.01
- kokkos-kernels@4.7.01
- laghos@3.1
- lammps@20250722
- lbann@0.104
- legion@25.03.0
- libcatalyst@2.0.0
- libceed@0.12.0
- libnrm@0.1.0
- libpressio@0.99.4
- libquo@1.4
- libunwind@1.7.2
- loki@0.1.7
- magma@2.9.0
- metall@0.30
- mfem@4.8.0
- mgard@compat-2023-12-09
- mpark-variant@1.4.0
- mpifileutils@0.12
- nccmp@1.9.1.0
- nco@5.3.4
- nek5000@19.0
- nekbone@17.0
- netcdf-fortran@4.6.2
- netlib-scalapack@2.2.2
- nrm@0.1.0
- omega-h@10.8.6-scorec
- openfoam@2412
- openmpi@5.0.8
- openpmd-api@0.16.1
- papi@7.2.0
- papyrus@1.0.2
- parallel-netcdf@1.14.1
- paraview@5.13.3
- parsec@4.0.2411
- pdt@3.25.2
- petsc@3.24.0
- phist@1.12.1
- plasma@24.8.7
- plumed@2.9.2
- precice@3.3.0
- pruners-ninja@1.0.1
- pumi@2.2.9
- py-cinemasci@1.7.0
- py-h5py@3.14.0
- py-jupyterhub@1.4.1
- py-libensemble@1.5.0
- py-petsc4py@3.24.0
- qthreads@1.18
- quantum-espresso@7.5
- raja@2025.03.0
- rempi@1.1.0
- scr@3.1.0
- slate@2025.05.28
- slepc@3.24.0
- stc@0.9.0
- strumpack@8.0.0
- sundials@7.5.0
- superlu@7.0.0
- superlu-dist@9.1.0
- swig@4.0.2-fortran
- sz@2.1.12.5
- sz3@3.2.0
- tasmanian@8.1
- tau@2.35.1
- trilinos@16.1.0
- turbine@1.3.0
- umap@2.1.1
- umpire@2025.03.0
- upcxx@2023.9.0
- veloc@1.7
- vtk-m@2.3.0
- wannier90@3.1.0
- warpx@25.04
- wps@4.5
- wrf@4.6.1
- xyce@7.10.0
- zfp@1.0.1
Additional details
Usage instructions
The 1-Click Security Group opens port 22 only so that you can access your instance via SSH using login 'ubuntu', you may change this later.
For software development and basic usage:
- Launch the ParaTools Pro for E4S (TM) AMI via 1-Click
- On the 'EC2 Launch an Instance' page pick the key pair you will use to login
- On the 'EC2 Launch an Instance' page optionally edit the network settings by pressing the edit button. Adjust the firewall rules if needed to ensure ssh access and enable Auto-assign public IP if you plan to access the instance remotely from a non-AWS IP address.
- Click 'Launch Instance'
- Find your running instance in the EC2 Instances section of the EC2 dashboard, and connect to the instance via SSH using the key pair you previously selected by picking the instance and pressing the connect button.
For more advanced usage, including launching a ParaTools Pro for E4S (TM) cluster with the Heidi AI Cloud Supercomputer, and submitting multi-node jobs please see:
Support
Vendor support
For general support questions, please email support@paratools.com
Paid support contracts and custom AMIs and computing environments are available. Please see https://paratoolspro.com/ for additional details.
AWS infrastructure support
AWS Support is a one-on-one, fast-response support channel that is staffed 24x7x365 with experienced and technical support engineers. The service helps customers of all sizes and technical abilities to successfully utilize the products and features provided by Amazon Web Services.
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This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using AWS ParallelCluster, with over 100 HPC and AI/ML tools, a remote desktop environment (DCV), and cluster configuration built using the Spack package manager and an MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Keras, and Horovod tuned for AWS ParallelCluster, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, deal.II, GROMACS and Quantum Espresso).
This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using Adaptive Computing's Heidi AI Cloud Supercomputer, with over 100 HPC and AI/ML tools, a remote desktop environment (VNC), and cluster configuration built using the Spack package manager and an MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Keras, and Horovod tuned for AWS and Heidi, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, deal.II, GROMACS and Quantum Espresso).
This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using Adaptive Computing's Heidi AI Cloud Supercomputer, with over 100 HPC and AI/ML tools, a remote desktop environment (VNC), and cluster configuration built using the Spack package manager and an MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Keras, and Horovod tuned for AWS and Heidi, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, deal.II, GROMACS and Quantum Espresso).
This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using AWS ParallelCluster, with over 100 HPC and AI/ML tools, a remote desktop environment (DCV), and cluster configuration built using the Spack package manager and an MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, TensorFlow, PyTorch, JAX, Keras, and Horovod tuned for AWS ParallelCluster, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, deal.II, GROMACS and Quantum Espresso).
This product has charges associated with it for optional seller support and pre-configured stack (ParaTools Pro for E4S™). ParaTools Pro for E4S™ is the hardened Extreme-scale Scientific Software Stack using AWS Parallel Computing Service (AWS PCS), with over 100 HPC and AI/ML tools and cluster configuration built using the Spack package manager and a proprietary MVAPICH MPI tuned for AWS Elastic Fabric Adapter (EFA). It is a platform for developing AI/ML applications using tools such as NVIDIA NeMo™, BioNeMo, TensorFlow, PyTorch, JAX, Keras, and vLLM tuned for AWS Parallel Computing Service, with a complete HPC software stack including numerical libraries (such as WRF, PETSc, Trilinos, SuperLU-dist), visualization tools (such as ParaView and VisIt), performance evaluation tools (such as TAU and HPCToolkit), HPC applications (such as OpenFOAM, LAMMPS, Xyce, CP2K, GROMACS and Quantum Espresso).
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