CSSI: Elements: First Workshop on NSF and DOE High Performance Computing Tools

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High Performance Computing (HPC) software has become increasingly complex to install. The complex inter-package dependency can lead to significant loss of productivity. This project will conduct a two-day hands-on workshop that brings together NSF resource providers and system administrators, NSF PIs and HPC application developers, and scientists and facilities administrators from the DOE national laboratories, and industry to develop a strong collaboration on HPC software deployment. The Software Development Kit (SDK) that will be used is available through a containerized distribution as well as Spack - an app store for supercomputers. The workshop will have a significant impact on enabling the delivery of HPC software to NSF and other supercomputing sites. It will better equip application developers in the use of modern software delivery infrastructures including HPC containers and the Spack platform. High Performance Computing (HPC) software has become increasingly complex to install. The complex inter-package dependency can lead to significant loss of productivity. This workshop on HPC tools will bring together NSF resource providers and system administrators, NSF PIs and HPC application developers, and scientists and facilities administrators from the DOE national laboratories, and industry to develop a strong collaboration on HPC. DOEs Exascale Computing Project (ECP) has produced an Extreme-Scale Scientific Software Stack (E4S) of HPC libraries and tools in a Software Development Kit (SDK). This SDK is available through a containerized distribution as well as Spack - an app store for supercomputers. Spack includes recipes for building packages from source code and is the primary means of deploying ECP software. This two-day workshop will focus on the Spack platform and E4S. The expected outcome of this meeting will be actual deployment of the ECP SDK software stack and container-based runtimes on the HPC systems and an understanding of how to develop custom recipes for Spack based builds. The proposed workshop will have a significant impact on enabling the delivery of HPC software to NSF and other supercomputing sites. It will better equip application developers in the use of modern software delivery infrastructures including HPC containers and the Spack platform.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.