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  1. COVID-19 had an unprecedented impact on scientific collaboration. The pandemic and its broad response from the scientific community has forged new relationships among domain experts, mathematical modelers, and scientific computing specialists. Computationally, however, it also revealed critical gaps in the ability of researchers to exploit advanced computing systems. These challenging areas include gaining access to scalable computing systems, porting models and workflows to new systems, sharing data of varying sizes, and producing results that can be reproduced and validated by others. Informed by our team’s work in supporting public health decision makers during the COVID-19 pandemic and by the identified capability gaps in applying high-performance computing (HPC) to the modeling of complex social systems, we present the goals, requirements, and initial implementation of OSPREY, an open science platform for robust epidemic analysis. The prototype implementation demonstrates an integrated, algorithm-driven HPC workflow architecture, coordinating tasks across federated HPC resources, with robust, secure and automated access to each of the resources. We demonstrate scalable and fault-tolerant task execution, an asynchronous API to support fast time-to-solution algorithms, an inclusive, multi-language approach, and efficient wide-area data management. The example OSPREY code is made available on a public repository. 
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    Free, publicly-accessible full text available May 1, 2024
  2. null (Ed.)
    Python has become a widely used programming language for research, not only for small one-off analyses, but also for complex application pipelines running at supercomputer- scale. Modern parallel programming frameworks for Python present users with a more granular unit of management than traditional Unix processes and batch submissions: the Python function. We review the challenges involved in running native Python functions at scale, and present techniques for dynamically determining a minimal set of dependencies and for assembling a lightweight function monitor (LFM) that captures the software environment and manages resources at the granularity of single functions. We evaluate these techniques in a range of environ- ments, from campus cluster to supercomputer, and show that our advanced dependency management planning and dynamic re- source management methods provide superior performance and utilization relative to coarser-grained management approaches, achieving several-fold decrease in execution time for several large Python applications. 
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  4. Doglioni, C. ; Kim, D. ; Stewart, G.A. ; Silvestris, L. ; Jackson, P. ; Kamleh, W. (Ed.)
    We explore how the function as a service paradigm can be used to address the computing challenges in experimental high-energy physics at CERN. As a case study, we use funcX—a high-performance function as a service platform that enables intuitive, flexible, efficient, and scalable remote function execution on existing infrastructure—to parallelize an analysis operating on columnar data to aggregate histograms of analysis products of interest in real-time. We demonstrate efficient execution of such analyses on heterogeneous resources. 
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