Emerging high performance computing (HPC) systems are expected to be deployed with an unprecedented level of complexity due to a deep system memory and storage hierarchy. Efficient and scalable methods of data management and movement through this hierarchy is critical for scientific applications using exascale systems. Moving toward new paradigms for scalable I/O in the extreme-scale era, we introduce novel object-centric data abstractions and storage mechanisms that take advantage of the deep storage hierarchy, named Proactive Data Containers (PDC). In this paper, we formulate object-centric PDCs and their mappings in different levels of the storage hierarchy. PDC adopts a client-server architecture with a set of servers managing data movement across storage layers. To demonstrate the effectiveness of the proposed PDC system, we have measured performance of benchmarks and I/O kernels from scientific simulation and analysis applications using PDC programming interface, and compared the results with existing highly tuned I/O libraries. Using asynchronous I/O along with data and metadata optimizations, PDC demonstrates up to 23× speedup over HDF5 and PLFS in writing and reading data from a plasma physics simulation. PDC achieves comparable performance with HDF5 and PLFS in reading and writing data of a single timestep at small scale, and outperforms them at a scale of larger than 10K cores. In contrast to existing storage systems, PDC offers user-space data management with the flexibility to allocate the number of PDC servers depending on the workload.

Lightning talks of the Workflows in Support of Large-Scale Science (WORKS) workshop are a venue where the workflow community (researchers, developers, and users) can discuss work in progress, emerging technologies and frameworks, and training and education materials. This paper summarizes the WORKS 2021 lightning talks, which cover four broad topics: (i) libEnsemble, a Python library to coordinate the concurrent evaluation of dynamic ensembles of calculations; (ii) Edu WRENCH, a set of online pedagogic modules that provides simulation-driven hands-on activity in the browser; (iii) VisDict, an envisioned visual dictionary framework that will translate terms, jargon, and concepts between research domains and workflow providers; and (iv) Pegasus Kickstart, a lightweight tool for capturing workflow tasks' performance, including performance metrics from Nvidia GPUs.

Progress in our understanding of brain disorders increasingly relies on the costly collection of large standardized brain magnetic resonance imaging (MRI) data sets. Moreover, the clinical interpretation of brain scans benefits from compare and contrast analyses of scans from patients with similar, and sometimes rare, demographic, diagnostic, and treatment status. A solution to both needs is to acquire standardized, research-ready clinical brain scans and to build the information technology infrastructure to share such scans, along with other pertinent information, across hospitals. This paper describes the design, deployment, and operation of a federated imaging system that captures and shares standardized, de-identified clinical brain images in a federation across multiple institutions. In addition to describing innovative aspects of the system architecture and our initial testing of the deployed infrastructure, we also describe the Standardized Imaging Protocol (SIP) developed for the project and our interactions with the Institutional Review Board (IRB) regarding handling patient data in the federated environment.