E4S at NERSC 2022

August 25, 2022 @ 12:00 pm – 5:30 pm
Shahzeb Mohammed Siddiqui


The Extreme-scale Scientific Software Stack (E4S) is a collection of open source software packages for high performance computing. The E4S stack comes with up to 100+ HPC applications, libraries and tools, MPI, development tools such as HPCToolkit, TAU, PAPI, math libraries including PETSC and Trilinos. E4S is available for use via containers, buildcache, AWS EC2 image, and facility tuned spack environments in the form of spack.yaml. E4S provides a new model for providing a standard set of software stack to HPC centers with dedicated support to help bridge the gap between HPC facilities and application developers of E4S products. NERSC has several deployments of E4S on Cori and Perlmutter using the spack package manager. We plan to use E4S as the vehicle for installing and supporting much of the software we provide for users.

Richard Gerber, HPC Department Head will start with opening remarks and present a brief overview of current workloads, software usage, and science applications that run on the NERSC system. Mike Heroux, the lead for ECP Software Technology (ST) group whose focus area is developing applications to run efficiently on exascale systems. E4S consists of many open source products developed by ECP ST teams which are installed on DOE systems at OLCF, ALCF and NERSC. Sameer Shende, who leads the E4S project will present the components of E4S and the different modes on how to access the E4S stack.

Katie Antypas who leads the Hardware Integration (HI) whose focus is application integration at facility, hardware evaluation, training and productivity and software deployment at facility. Katie will present an update on current activities and roadmap for the upcoming year.

We will discuss the E4S software deployment process at HPC centers, with a particular focus on what we’re doing here at NERSC to bring you reliable, performant HPC software. Shahzeb Siddiqui will present an overview of E4S stacks installed at NERSC. This session will be a mix of hands-on and walkthrough the NERSC E4S Documentation. Participants are encouraged to follow the hands-on session if you have access to NERSC systems. Shahzeb will present the Spack Infrastructure project at NERSC that discusses how we leverage Gitlab to automate spack deployments using Continuous Integration capability.

The Software Deployment (SD) group is responsible for deploying ECP software at the DOE facilities via E4S. The SD group partners with Application Development (AD) and ST projects to properly tune their software to run efficiently on the facility system. This group is responsible for providing CI infrastructure to help AD/ST teams automate their workflows using GitLab CI. Ryan Adamson will provide an overview of the Software Deployment group including current challenges and future roadmap.

We will conclude this event with hands-on exercise on how to use spack on Perlmutter to deploy software stack. Sameer will present how to use E4S containers, replacing MPI in an E4S container with the host MPI, creating custom containers for your application, using E4S on AWS and DOE facilities, and building applications using E4S with a bare-metal installation. He will highlight the use of E4S on Perlmutter and answer questions about applying E4S to your projects.


  • Welcome, Richard Gerber
  • E4S for NERSC and its Users, Richard Gerber
  • What is E4S, Sameer Shende
  • Overview of Software Technology, Mike Heroux
  • Overview of Hardware Integration, Katie Antypas
  • NERSC Spack Infrastructure, Shahzeb Siddiqui
  • Software Deployment at the Facilities, Ryan Adamson
  • E4S User Documentation, Shahzeb Siddiqui
  • Spack Training on Perlmutter, Shahzeb Siddiqui
  • E4S Training, Sameer Shende
  • Q&A