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Utilizing the extract verb of GIM causes the requested information to be extracted from the GIM base and written on to tape. When the GIM extract has completed, a FORTRAN program is then compiled and executed. This program reads the tape generated by GIM, formats and prints the extracted data on the line printer. When an end of file on the extracted tape is encountered the job is terminated.
Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.
Scientific computing centers increasingly face workloads with diverse urgency requirements, driven by applications that demand rapid or even immediate execution. Appropriately configured scheduling policies can significantly improve both user satisfaction and overall cluster utilization. In this work, we present a systematic analysis of scheduler configurations under scenarios where a fraction of jobs have urgent computing needs. We evaluate multiple job scheduling simulators, develop a lightweight job-submission emulation framework, and create tools to analyze and visualize the resulting scheduling data. Our study identifies key trade-offs between responsiveness, fairness, and efficiency, and offers a set of practical scheduling configurations (particularly for Slurm) that can be tailored to HPC environments supporting mixed-urgency workloads.
The design of the next generation of spaceborne digital computers is described. It analyzes a possible multiprocessor computer configuration. For the analysis, a set of representative space computing tasks was abstracted from the Lunar Module Guidance Computer programs as executed during the lunar landing, from the Apollo program. This computer performs at this time about 24 concurrent functions, with iteration rates from 10 times per second to once every two seconds. These jobs were tabulated in a machine-independent form, and statistics of the overall job set were obtained. It was concluded, based on a comparison of simulation and Markov results, that the Markov process analysis is accurate in predicting overall trends and in configuration comparisons, but does not provide useful detailed information in specific situations. Using both types of analysis, it was determined that the job scheduling function is a critical one for efficiency of the multiprocessor. It is recommended that research into the area of automatic job scheduling be performed.
Ground Resource Operations Program executive (GROPE) is control program for binding system of programs into single, easily operated entity. It relieves user from complexity arising from decomposition of large application into number of interacting program units. System simplifies job control, data management, and recordkeeping for interacting programs.
Understanding performance and provenance of task-based workflows poses significant challenges, particularly in distributed configurations where resources are shared by multiple applications. Task-based workflow management systems further complicate performance predictability because of their dynamicity that subtly alters task execution order from run to run. In this paper we propose a layered characterization framework for performance and task provenance for Dask.distributed workflows running on high-performance computing (HPC) platforms. It collects data from jobs, the workflow management system, and the operating system to aid in understanding the performance of these workflows. Our approach encompasses three main contributions: first, an extension of Dask.distributed to capture high-fidelity task provenance using Mochi data services; second, the adaptation of the established HPC I/O characterization tool Darshan to gather high-fidelity I/O data, thereby enhancing the granularity of our analysis; and third, a framework to combine and process the collected data and provide helpful insights into performance characterization and reproducibility, alongside our lessons learned.
At the close of each fiscal year, the US Department of Energy (DOE) Sustainability Performance Division (SPD) issues guidance documents and technical resource aids/tools necessary for DOE sites and national laboratories to complete sustainability reporting requirements. SPD is part of the DOE Office of Asset Management. As required by DOE Order 436.1, Departmental Sustainability, “each site will develop and commit to an annual Site Sustainability Plan (SSP) that identifies its respective contribution toward meeting the DOE’s sustainability goals.” SPD collects and compiles information reported by each site to develop an agency-wide Sustainability Report and Implementation Plan, which is used to report DOE sustainability progress to the federal government as required by all major federal agencies. DOE launched a formal Sustainability Office and annual SSP process in 2011. Each year, Oak Ridge National Laboratory (ORNL), in concert with the Office of Science (SC), provides the resources essential to fulfill its commitment to deliver a complete and accurate SSP report and quality performance data for entry into the DOE Sustainability Dashboard as managed by SPD. The performance data entered by each DOE site are then combined to disclose the progress of each DOE Program Office and are further combined to show comprehensive progress for the agency. The Office of Asset Management provides assistance to program offices in sustaining their missions, freeing up resources by reducing waste, avoiding excess expenditure on utilities, maximizing productivity, and improving the efficiency of facilities and processes. By focusing on mission needs, programs and associated DOE sites can help the agency meet its sustainability goals, as outlined in federal statutory and regulatory requirements. In FY 2022, the SSP guidance was updated to capture requirements from Executive Order (EO) 14008, Tackling the Climate Crisis at Home and Abroad, the Energy Act of 2020 (EAct 20), actions outlined in DOE’s Climate Adaptation & Resilience Plan and Sustainability Plan, and EO 14057, Catalyzing Clean Energy Industries and Jobs Through Federal Sustainability. Updates in SSP guidance help to minimize and streamline reporting while simultaneously addressing updated federal requirements. Per DOE, each SSP report should provide an overview of the site’s planned actions, as well as an overview of efforts and accomplishments during the reporting period. SPD collects and compiles information reported by each site to develop DOE’s Annual Sustainability Report, Climate Adaptation & Resilience Plan, and Annual Energy Management Report to Congress. The agency goal has been to lower the reporting burden for sites and increase and improve the consistency of information available to decision makers, allowing them to better identify projects and potential for increased efficiency, as well as to reduce waste, lower emissions, and enhance operational resilience. Sites may elect to produce a more polished publication for their leadership and stakeholders, but this step is no longer required. The ORNL SSP narrative report (this document) and the reporting of DOE SPD Sustainability Dashboard performance data is a collaborative effort of approximately 30 subject matter experts (SMEs) from ORNL facility management and research divisions. Annually, these associates come together to provide a report that can be used by DOE to demonstrate continued agency progress in energy efficiency and sustainable federal operations.
This paper describes a project to evaluate the feasibility of combining Grid and Numerical Propulsion System Simulation (NPSS) technologies, with a view to leveraging the numerous advantages of commodity technologies in a high-performance Grid environment. A team from the NASA Glenn Research Center and Argonne National Laboratory has been studying three problems: a desktop-controlled parameter study using Excel (Microsoft Corporation); a multicomponent application using ADPAC, NPSS, and a controller program-, and an aviation safety application running about 100 jobs in near real time. The team has successfully demonstrated (1) a Common-Object- Request-Broker-Architecture- (CORBA-) to-Globus resource manager gateway that allows CORBA remote procedure calls to be used to control the submission and execution of programs on workstations and massively parallel computers, (2) a gateway from the CORBA Trader service to the Grid information service, and (3) a preliminary integration of CORBA and Grid security mechanisms. We have applied these technologies to two applications related to NPSS, namely a parameter study and a multicomponent simulation.
Used within social simulations, synthetic population ensembles enable uncertainty quantification (UQ) methods for obtaining more robust model inference and prediction. A synthetic population ensemble is a series of plausible virtual reconstructions of an area’s population at the granularity of people and residences, generated stochastically to preserve privacy of the source population survey’s respondents. In this paper, we demonstrate the production of large synthetic population ensembles for the US via Oak Ridge National Laboratory’s UrbanPop framework to support modeling of high spatial resolution energy affordability metrics from nationwide social surveys in collaboration with the fusionACS project. Our initial task involves creating ensembles for 17 US metropolitan areas, each consisting of 41 population instances (a base realization and 40 replicates). To accomplish this task at scale, we configured an integrated system comprised of a research cloud, virtual containerization, GPU-enhanced functionality, and a dual API/CLI to interact with UrbanPop’s maturing Likeness Python ecosystem. We observe a reduction in theoretical execution time while maintaining high-fidelity approximations of residential totals by metropolitan area and the demographic characteristics of neighborhoods. We discuss expansion of our approach to produce synthetic population ensembles for the entire US, particularly plans to establish automated workflows for job orchestration to increase computational efficiency, as well as provide outlook for broadening applications of the ensembles.
In this paper, we propose a distributed approach for mapping a single large application to a heterogeneous grid environment. To minimize the execution time of the parallel application, we distribute the mapping overhead to the available nodes of the grid. This approach not only provides a fast mapping of tasks to resources but is also scalable. We adopt a hierarchical grid model and accomplish the job of mapping tasks to this topology using a scheduler tree. Results show that our three-phase algorithm provides high quality mappings, and is fast and scalable.
The advancement of machine learning techniques and the heterogeneous architectures of most current supercomputers are propelling the demand for large multiscale simulations that can automatically and autonomously couple diverse components and map them to relevant resources to solve complex problems at multiple scales. Nevertheless, despite the recent progress in workflow technologies, current capabilities are limited to coupling two scales. In the first-ever demonstration of using three scales of resolution, we present a scalable and generalizable framework that couples pairs of models using machine learning and in situ feedback. We expand upon the massively parallel Multiscale Machine-Learned Modeling Infrastructure (MuMMI), a recent, award-winning workflow, and generalize the framework beyond its original design. We discuss the challenges and learnings in executing a massive multiscale simulation campaign that utilized over 600,000 node hours on Summit and achieved more than 98% GPU occupancy for more than 83% of the time. We present innovations to enable several orders of magnitude scaling, including simultaneously coordinating 24,000 jobs, and managing several TBs of new data per day and over a billion files in total. Finally, we describe the generalizability of our framework and, with an upcoming open-source release, discuss how the presented framework may be used for new applications.
A brief overview of the transient dynamics capabilities at Sandia National Laboratories, with an emphasis on recent new developments and current research is presented. In addition, the Sandia National Laboratories (SNL) Engineering Analysis Code Access System (SEACAS), which is a collection of structural and thermal codes and utilities used by analysts at SNL, is described. The SEACAS system includes pre- and post-processing codes, analysis codes, database translation codes, support libraries, Unix shell scripts for execution, and an installation system. SEACAS is used at SNL on a daily basis as a production, research, and development system for the engineering analysts and code developers. Over the past year, approximately 190 days of CPU time were used by SEACAS codes on jobs running from a few seconds up to two and one-half days of CPU time. SEACAS is running on several different systems at SNL including Cray Unicos, Hewlett Packard PH-UX, Digital Equipment Ultrix, and Sun SunOS. An overview of SEACAS, including a short description of the codes in the system, are presented. Abstracts and references for the codes are listed at the end of the report.
As large-scale scientific simulations and big data analyses become more popular, it is increasingly more expensive to store huge amounts of raw simulation results to perform post-analysis. To minimize the expensive data I/O, "in-situ" analysis is a promising approach, where data analysis applications analyze the simulation generated data on the fly without storing it first. However, it is challenging to organize, transform, and transport data at scales between two semantically different ecosystems due to the distinct software and hardware difference. To tackle these challenges, we design and implement the X-Composer framework. X-Composer connects cross-ecosystem applications to form an "in-situ" scientific workflow, and provides a unified approach and recipe for supporting such hybrid in-situ workflows on distributed heterogeneous resources. X-Composer reorganizes simulation data as continuous data streams and feeds them seamlessly into the Cloud-based stream processing services to minimize I/O overheads. For evaluation, we use X-Composer to set up and execute a cross-ecosystem workflow, which consists of a parallel Computational Fluid Dynamics simulation running on HPC, and a distributed Dynamic Mode Decomposition analysis application running on Cloud. Our experimental results show that X-Composer can seamlessly couple HPC and Big Data jobs in their own native environments, achieve good scalability, and provide high-fidelity analytics for ongoing simulations in real-time.
The DOE Office of Energy Efficiency and Renewable Energy (EERE) Advanced Manufacturing Office (AMO) partners with industry, small business, universities, and other stakeholders to identify and invest in emerging technologies with the potential to create high-quality domestic manufacturing jobs and enhance the global competitiveness of the United States
We observe and analyze usage of the login nodes of the leadership class Summit supercomputer from the perspective of an ordinary user—not a system administrator—by periodically sampling user activities (job queues, running processes, etc.) for two full years (2020–2021). Our findings unveil key usage patterns that evidence misuse of the system, including gaming the policies, impairing I/O performance, and using login nodes as a sole computing resource. Our analysis highlights observed patterns for the execution of complex computations (workflows), which are key for processing large-scale applications.
With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows, heterogeneous machine architectures, parallel file systems, and batch scheduling, care must be taken to facilitate this analysis in a high performance computing (HPC) environment. Here, we present Merlin, a workflow framework to enable large ML-friendly ensembles of scientific HPC simulations. By augmenting traditional HPC with distributed compute technologies, Merlin aims to lower the barrier for scientific subject matter experts to incorporate ML into their analysis. As a producer–consumer workflow model, Merlin enables multi-machine, cross-batch job, dynamically allocated yet persistent workflows capable of utilizing surge-compute resources. Key features of Merlin are a flexible HPC-centric interface, low per-task overhead, multi-tiered fault recovery, and a hierarchical sampling algorithm that allows for $\mathscr{O}$(N) task execution and $\mathscr{O}$(N ln N) task queuing to ensembles of millions of tasks. In addition to Merlin’s design, we test the algorithm’s performance in an HPC center and demonstrate the ability to enqueue 40 million simulations in 100 s, with a 30 millisecond per-task overhead that is independent of ensemble size. Finally, we describe some example applications that Merlin has enabled on leadership-class HPC resources, such as the ML-augmented optimization of nuclear fusion experiments and the calibration of infectious disease models to study the progression of and possible mitigation strategies for COVID-19.
Growth in the green jobs sector has increased demand for college graduates who are prepared to enter the workforce with interdisciplinary sustainability skills. Simultaneously, scholarly calls for interdisciplinary collaboration in the service of addressing the societal challenges of enhancing resilience and sustainability have also increased in recent years. However, developing, executing, and assessing interdisciplinary content and skills at the post-secondary level has been challenging. The objective of this paper is to offer the Food-Energy-Water (FEW) Nexus as a powerful way to achieve sustainability competencies and matriculate graduates who will be equipped to facilitate the transformation of the global society by meeting the targets set by the United Nations Sustainable Development Goals. The paper presents 10 curricular design examples that span multiple levels, including modules, courses, and programs. These modules enable clear evaluation and assessment of key sustainability competencies, helping to prepare graduates with well-defined skillsets who are equipped to address current and future workforce needs.
Abstract We present Jay , a software framework for offloading applications in hybrid edge clouds. Jay provides an API, services, and tools that enable mobile application developers to implement, instrument, and evaluate offloading applications using configurable cloud topologies, offloading strategies, and job types. We start by presenting Jay 's job model and the concrete architecture of the framework. We then present the programming API with several examples of customization. Then, we turn to the description of the internal implementation of Jay instances and their components. Finally, we describe the Jay Workbench, a tool that allows the setup, execution, and reproduction of experiments with networks of hosts with different resource capabilities organized with specific topologies. The complete source code for the framework and workbench is provided in a GitHub repository.