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DTSTART;TZID=America/New_York:20241117T141000
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UID:submissions.supercomputing.org_SC24_sess732_ws_canolt101@linklings.com
SUMMARY:Containerization in HPC Environments: Challenges in Optimizing Per
 formance and Security in Scientific Computing
DESCRIPTION:Vijayalakshmi Saravanan (University of Texas at Tyler, Brookha
 ven National Laboratory) and Khaled Z. Ibrahim (Lawrence Berkeley National
  Laboratory (LBNL))\n\nThe convergence of scientific computing, exascale d
 ata, and high-performance computing (HPC) has driven significant advanceme
 nts across multiple scientific domains. However, the growing complexity of
  software stacks, coupled with the increased need for reproducibility and 
 efficient resource management, has raised containerization as a vital solu
 tion in HPC environments.\n\nA major challenge is the potential performanc
 e overhead introduced by containers. HPC workloads often demand direct har
 dware access for optimal performance, and the additional layer of abstract
 ion provided by containers can affect computation speed and efficiency. Mi
 nimizing this overhead while preserving the advantages of containerization
  is essential for its adoption in performance-sensitive scientific applica
 tions. Additionally, containerization in HPC demands rigorous security mea
 sures, balancing user flexibility with system integrity and HPC center pol
 icies.\n\nThis work delves into these challenges and opportunities by exam
 ining the real-time implementation of containerization for NWCHEM (MDT) an
 d OCP (Open Catalyst) scientific data within the Perlmutter supercomputer 
 environment at LBNL.\n\nTag: Cloud Computing, Middleware and System Softwa
 re, State of the Practice\n\nRegistration Category: Workshop Reg Pass\n\nS
 ession Chairs: Richard Shane Canon (Lawrence Berkeley National Laboratory 
 (LBNL)), Alberto Madonna (Swiss National Supercomputing Centre (CSCS)), Cl
 audia Misale (IBM), and Andrew Younge (Sandia National Laboratories)\n\n
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