E4S at DOE Facilities with Deep Dive at NERSC

The Extreme-scale Scientific Software Stack (E4S) is a collection of open source packages for running scientific applications on high performance computing platforms. The E4S stack comes with 80+ applications including programming models, MPI, development tools such as HPCToolkit, TAU and PAPI, and 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. NERSC has deployed three versions of E4S (20.10, 21.02, 21.05) on Cori system using the Spack package manager.

E4S is an ECP funded project that includes software products from Software Technology (ST) and Application Development (AD) teams. In this session, Mike Heroux (Director of Software Technology) will provide an overview of the ST focus area, future roadmap of ECP and E4S.

The Software Deployment group is responsible for deploying ECP software at the DOE facilities by partnering with AD and ST projects to properly tune their software for each facility. This group is responsible for providing CI infrastructure to help AD/ST teams automate their workflows. Ryan Adamson will provide an overview of Software Deployment group including current challenges and future roadmap.

Sameer Shende will present the components of E4S, 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 Cori and answer questions about applying E4S to your projects.

Shahzeb Siddiqui will present an overview of E4S stacks installed at NERSC that 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. We will conclude this session with an overview of E4S testing at NERSC and building a Spack Gitlab Pipeline for nightly builds of E4S.

Agenda:

• ST Overview (Mike Heroux)
• Introduction to E4S (Sameer Shende)
• Software Deployment at the Facilities (Ryan Adamson)
• E4S at NERSC (Shahzeb Siddiqui)
• Q&A