E4S at DOE Facilities with Deep Dive at NERSC

October 4

Calendar

When:

October 4, 2021 @ 12:00 pm – 3:00 pm

2021-10-04T12:00:00-04:00

2021-10-04T15:00:00-04:00

Cost:

Free

Contact:

Shahzeb Mohammed Siddiqui

Abstract:

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. NERSC plans to use E4S as the vehicle for installing and supporting much of the software provided for users on Perlmutter.

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

Presenters

Mike Heroux is a Senior Scientist at Sandia National Laboratories, Director of Software Technology for the US DOE Exascale Computing Project (ECP) and Scientist in Residence at St. John’s University, MN. His research interests include all aspects of scalable scientific and engineering software for new and emerging parallel computing architectures.
He is the founder of the Trilinos scientific libraries, Kokkos performance portability, Mantevo miniapps and HPCG Benchmark projects, and is presently leading the Extreme-scale Scientific Software Stack (E4S) project in DOE, a curated collection of HPC software targeting leadership platforms.

Shahzeb Siddiqui is a HPC Consultant/Software Integration Specialist at Lawrence Berkeley National Laboratory at NERSC. He is part of User Engagement Team where he is responsible for engaging with NERSC user community through user support tickets, user outreach, training, and documentation. Shahzeb is part of the Exascale Computing Project (ECP) in Software Deployment (SD) group where he is responsible for building Extreme-Scale Scientific Software Stack (E4S) at the DOE facilities. Shahzeb has experience installing and managing large software stack, cluster manager (Bright Cluster Manager, Cobbler), configuration management (Ansible), GPFS, Slurm and LSF. Shahzeb is an experienced Developer, Dev-Ops, System Administrator and involved in several open-source projects. Shahzeb started out his career in High Performance Computing (HPC) in 2012 at King Abdullah University of Science and Technology (KAUST) while pursuing his Masters. His focus in HPC includes Parallel Programming, Performance Tuning, Containers (Singularity, Docker), Linux System Administration, Software Deployment and Testing, and Scheduler Optimization. Shahzeb has held multiple roles in his HPC career in the following companies: Dassault-Systemes, Pfizer, Penn State, and IBM. Prior to 2012, he was a software engineer holding multiple roles at Global Science & Technology, Northrop Grumman, and Penn State.

Sameer Shende has helped develop the TAU Performance System, the Program Database Toolkit (PDT), the Extreme-scale Scientific Software Stack (E4S) and the HPCLinux distro. His research interests include tools and techniques for performance instrumentation, measurement, analysis, runtime systems, HPC container runtimes, and compiler optimizations. He serves as a Research Associate Professor and the Director of the Performance Research Laboratory at the University of Oregon, and as the President and Director of ParaTools, Inc., ParaTools, SAS, and ParaTools, Ltd.

Ryan Adamson leads the HPC Security and Information Engineering Group at the Oak Ridge Leadership Computing Facility (OLCF). His group is responsible for delivering highly-scalable and reliable security services and telemetry platforms to the high-performance computing resources and staff at the OLCF. He also leads the Software Deployment at Facilities (SD) area of the Exascale Computing Project. Its mission is to ensure that the AD and ST products funded by ECP are buildable, testable, and available for use by ECP at the Office of Science supercomputing facilities. Major components of this work include developing supercomputing-specific enhancements to continuous integration tools like GitLab server and runners. Other effort includes using Spack to install scientific software included in E4S along with CI/CD pipelines to automatically produce build artifacts that users at facilities can pull in to their own from-source builds.

Materials from the event

ST Overview

Software Deployment at the Facilities

Introduction to E4S

Recording