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 on Ubuntu, using AWS ParallelCluster, with over 100 HPC and AI/ML tools, an optional Amazon DCV remote desktop on the cluster head node, and cluster configuration built using the Spack package manager and a proprietary MVAPICH-Plus 4 MPI tuned for AWS Elastic Fabric Adapter (EFA). Develop AI/ML applications using tools such as JAX, Keras, NVIDIA BioNeMo, NVIDIA NeMo™, OpenClaw, PyTorch, TensorFlow, and vLLM tuned for AWS ParallelCluster, with a complete HPC software stack including numerical libraries (PETSc, SuperLU-dist, Trilinos, WRF), visualization tools (Ascent, VTK-m), performance evaluation tools (PAPI, TAU), HPC applications (GROMACS, LAMMPS, OpenFOAM, Quantum Espresso, WarpX).
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. It supports an optional Amazon DCV remote desktop on the cluster head node provisioned via AWS ParallelCluster, with 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 a proprietary MVAPICH-Plus 4 MPI tuned for EFA. It features ready-to-use HPC applications (GROMACS, LAMMPS, OpenFOAM, Quantum Espresso, WarpX, Weather Research and Forecasting Model-WRF) as well as AI/ML tools based on Python (JAX, Keras, matplotlib, NVIDIA BioNeMo, NVIDIA NeMo™, OpenCV, PyTorch, TensorFlow, vLLM, with JupyterLab and Jupyter Notebook) and the VSCodium IDE. A one-command installer provides the OpenClaw agentic AI framework. 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™, JAX, Keras etc.) which is configured and linked against a proprietary MVAPICH-Plus 4 MPI implementation specifically developed and tuned for EFA.
The full list of E4S applications installed via Spack is as follows:
adios
adios2
alquimia
aml
amrex
arborx
argobots
ascent
axom
boost
butterflypack
cabana
chai
chapel
charliecloud
conduit
cp2k
cusz
darshan-runtime
darshan-util
datatransferkit
dyninst
e4s-alc
e4s-cl
exaworks
faodel
flit
flux-core
fpm
gasnet
ginkgo
globalarrays
gmp
gotcha
gromacs
h5bench
hdf5
hdf5-vol-async
hdf5-vol-cache
hdf5-vol-log
heffte
hypre
kokkos
kokkos-kernels
laghos
lammps
lbann
legion
libcatalyst
libceed
libnrm
libpressio
libquo
loki
magma
mercury
metall
mfem
mgard
mpark-variant
mpifileutils
nccmp
nco
nek5000
nekbone
netcdf-fortran
netlib-scalapack
nrm
omega-h
openfoam
openmpi
openpmd-api
papi
papyrus
parallel-netcdf
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
strumpack
sundials
superlu
superlu-dist
swig
sz
sz3
tasmanian
tau
trilinos
turbine
umap
umpire
upcxx
veloc
vtk-m
wannier90
warpx
wps
wrf
zfp
Highlights
ParaTools Pro for E4S™ and Machine Learning stacks, including NVIDIA NeMo™, built and optimized for AWS EFA and AWS ParallelCluster
A proprietary MVAPICH-Plus 4 MPI implementation that offers lower latency and higher throughput than default OpenMPI implementations for pre-installed applications and user installed applications
HPC software environment managed using the Spack package manager