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At least 1,513 records · Page 84

Integrating 5G Technology for Improved Process Monitoring and Network Slicing in ICS

Industrial Control Systems (ICS) are crucial for monitoring physical processes that support essential cyber-enabled services like power generation. The use of proprietary communication and lack of effective intrusion detection mechanisms pose constraints for efficient operation. Therefore, there is a need to modernize these systems with decentralized technologies like Edge Computing and 5G. However, integrating 5G and Edge Computing into large-scale ICS networks presents implementation and performance challenges. To address these challenges, this paper proposes an integrated ICS architecture that combines 5G and Edge Computing technologies with traditional ICS protocols. The objective is to minimize implementation and operational difficulties while improving the monitoring of physical processes and enabling robust intrusion detection. The proposed architecture outlines the necessary components, services, and communication protocols required for the integration of 5G and Edge Computing.

Aguayo, Jared M.↗

Ongoing solution reproducibility of earth system models as they progress toward exascale computing

We present a methodology for solution reproducibility for the Energy Exascale Earth System Model during its ongoing software infrastructure development to prepare for exascale computers. The nonlinear chaotic nature of climate system simulations precludes traditional model verification approaches since machine precision differences—resulting from code refactoring, changes in software environment, and so on—grow exponentially to a different weather state. Here, we leverage the nature of climate as a statistical description of the atmosphere in order to establish model reproducibility. We evaluate the degree to which two-sample equality of distribution tests can confidently detect the change in climate from minor tuning parameter changes on model output variables in order to establish the level of difference that indicates a new climate. To apply this (baselined test), we target a section of the model’s development cycle wherein no intentional science changes have been applied to its source code. We compare an ensemble of short simulations that were conducted using a verified model configuration against a new ensemble with the same configuration but with the latest software infrastructure (Common Infrastructure for Modeling the Earth, CIME5.0), compiler versions, and software libraries. We also compare these against ensemble simulations conducted using the original version of the software infrastructure (CIME4.0) of the earlier model configuration, but with the latest compilers and software libraries, to test the impact of new compilers and libraries in isolation from additional software infrastructure. The two-sample equality of distribution tests indicates that these ensembles indeed represent the same climate.

97 MATHEMATICS AND COMPUTING↗

Superior model for fault tolerance computation in designing nano-sized circuit systems

As CMOS technology scales nano-metrically, reliability turns out to be a decisive subject in the design methodology of nano-sized circuit systems. As a result, several computational approaches have been developed to compute and evaluate reliability of desired nano-electronic circuits. The process of computing reliability becomes very troublesome and time consuming as the computational complexity build ups with the desired circuit size. Therefore, being able to measure reliability instantly and superiorly is fast becoming necessary in designing modern logic integrated circuits. For this purpose, the paper firstly looks into the development of an automated reliability evaluation tool based on the generalization of Probabilistic Gate Model (PGM) and Boolean Difference-based Error Calculator (BDEC) models. The Matlab-based tool allows users to significantly speed-up the task of reliability analysis for very large number of nano-electronic circuits. Secondly, by using the developed automated tool, the paper explores into a comparative study involving reliability computation and evaluation by PGM and, BDEC models for different implementations of same functionality circuits. Based on the reliability analysis, BDEC gives exact and transparent reliability measures, but as the complexity of the same functionality circuits with respect to gate error increases, reliability measure by BDEC tends to be lower than the reliability measure by PGM. The lesser reliability measure by BDEC is well explained in this paper using distribution of different signal input patterns overtime for same functionality circuits. Simulation results conclude that the reliability measure by BDEC depends not only on faulty gates but it also depends on circuit topology, probability of input signals being one or zero and also probability of error on signal lines.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Implementing asyncronous collective operations in a multi-node processing system

A method, system, and computer program product are disclosed for implementing an asynchronous collective operation in a multi-node data processing system. In one embodiment, the method comprises sending data to a plurality of nodes in the data processing system, broadcasting a remote get to the plurality of nodes, and using this remote get to implement asynchronous collective operations on the data by the plurality of nodes. In one embodiment, each of the nodes performs only one task in the asynchronous operations, and each nodes sets up a base address table with an entry for a base address of a memory buffer associated with said each node. In another embodiment, each of the nodes performs a plurality of tasks in said collective operations, and each task of each node sets up a base address table with an entry for a base address of a memory buffer associated with the task.

97 MATHEMATICS AND COMPUTING↗

The EIC on a Table Top (Final Report)

A research collaboration between JLab and the Atomic and Molecular Optics group of Olivier Pfister at UVA was established to adapt and enhance their optics-based Quantum Computing (QC) system for the calculation of Doubly-Deeply Virtual Compton Scattering amplitudes relevant for JLab12 and the EIC program. The formalism and simulation infrastructure for computing matrix elements of such Compton amplitudes was established. In partnership with UVA, JLab has provided the technical expertise to enhance the current system, and explored significantly scaling it to become a unique and powerful resource.

97 MATHEMATICS AND COMPUTING↗

Development of a Reduced-Order Model for Reacting Gas-Solids Flow using Proper Orthogonal Decomposition

This report summarizes the objectives, tasks and accomplishments made during the three year duration of this research project. The report presents the results obtained by applying advanced computational techniques to develop reduced-order models (ROMs) in the case of reacting multiphase flows based on high fidelity numerical simulation of gas-solids flow structures in risers and vertical columns obtained by the Multiphase Flow with Interphase eXchanges (MFIX) software. The research includes a numerical investigation of reacting and non-reacting gas-solids flow systems and computational analysis that will involve model development to accelerate the scale-up process for the design of fluidization systems by providing accurate solutions that match the full-scale models. The computational work contributes to the development of a methodology for obtaining ROMs that is applicable to the system of gas-solid flows. Finally, the validity of the developed ROMs is evaluated by comparing the results against those obtained using the MFIX code. Additionally, the robustness of existing POD-based ROMs for multiphase flows is improved by avoiding non-physical solutions of the gas void fraction and ensuring that the reduced kinetics models used for reactive flows in fluidized beds are thermodynamically consistent.

42 ENGINEERING↗

Asymmetric temperature equilibration with heat flow from cold to hot in a quantum thermodynamic system

A model computational quantum thermodynamic network is constructed with two variable temperature baths coupled by a linker system, with an asymmetry in the coupling of the linker to the two baths. It is found in computational simulations that the baths come to “thermal equilibrium” at different bath energies and temperatures. In a sense, heat is observed to flow from cold to hot. Additionally, a description is given in which a recently defined quantum entropy S univ Q for a pure state “universe” continues to increase after passing through the classical equilibrium point of equal temperatures, reaching a maximum at the asymmetric equilibrium. Thus, a second law account Δ S univ Q ≥ 0 holds for the asymmetric quantum process. In contrast, a von Neumann entropy description fails to uphold the entropy law, with a maximum near when the two temperatures are equal, then a decrease Δ S v N < 0 on the way to the asymmetric equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Software only intra-compute unit redundant multithreading for GPUs

A system, method and computer program product to execute a first and a second work-item, and compare the signature variable of the first work-item to the signature variable of the second work-item. The first and the second work-items are mapped to an identifier via software. This mapping ensures that the first and second work-items execute exactly the same data for exactly the same code without changes to the underlying hardware. By executing the first and second work-items independently, the underlying computation of the first and second work-item can be verified. Moreover, system performance is not substantially affected because the execution results of the first and second work-items are compared only at specified comparison points.

Lyashevsky, Alexander↗

Software only inter-compute unit redundant multithreading for GPUs

A system, method and computer program product to execute a first and a second work-group, and compare the signature variables of the first work-group to the signature variables of the second work-group via a synchronization mechanism. The first and the second work-group are mapped to an identifier via software. This mapping ensures that the first and second work-groups execute exactly the same data for exactly the same code without changes to the underlying hardware. By executing the first and second work-groups independently, the underlying computation of the first and second work-groups can be verified. Moreover, system performance is not substantially affected because the execution results of the first and second work-groups are compared only at specified comparison points.

Lyashevsky, Alexander↗

MaDaTS: Managing Data on Tiered Storage for Scientific Workflows

Scientific workflows are processing large amounts of data through complex simulation and analysis tasks. Meanwhile, the need to minimize I/O costs on next generation systems and the evolution of new technologies (NVRAMs, SSDs etc.) is resulting in deeper storage hierarchies on High Performance Computing (HPC) systems. A multi-tiered storage hierarchy introduces complexities in workflow and data management. There is need for simple and flexible data abstractions that can allow users to seamlessly manage workflow data and tasks on HPC systems with multiple storage tiers. MaDaTS (Managing Data on Tiered Storage for Scientific Workflows) provides an API and a command-line tool that allows users to manage their workflows and data on tiered storage (Ghoshal & Ramakrishnan (2017)).

97 MATHEMATICS AND COMPUTING↗

Extension of Argonne’s Plant Dynamics Code (PDC) Capabilities to TerraPower Direct-Cycle Supercritical CO2 (“Pascal”) Nuclear Reactor Concept. Final CRADA report

Argonne National Laboratory (the Contractor) and TerraPower, LLC, (the Participant), entered into a Cooperative Research and Development Agreement (CRADA) to extend the Plant Dynamics Code (PDC) to model the Pascal reactor plant. PDC is the system-level computer code developed at Argonne, primarily for design and transient analysis of supercritical carbon dioxide (sCO2) energy conversion systems for various power plants. Pascal is a supercritical carbon dioxide (sCO2)-cooled direct-cycle nuclear power reactor under development by TerraPower. New features were added to the code to model components and systems specific to the Pascal plant and to make the code readily available as a tool for design, control, and safety analysis for this and other direct-cycle power plants. TerraPower provided design information of the Pascal reactor and the requirements for the development of the new PDC features. Argonne modified the PDC capabilities to introduce the new features.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Brochure on the 2024 ASCR Workshop on Energy-Efficient Computing for Science

Large-scale computing has enabled numerous scientific discoveries, including ground-breaking achievements facilitated by the US Department of Energy (DOE) supercomputers and advances in applied mathematics and computer science. While important advances were made in energy efficiency to enable exascale computing, continued efforts are needed to dramatically improve the energy efficiency of the next generation of high-performance computing (HPC) systems and, more broadly, AI data centers. Without substantial improvements in energy efficiency, the energy consumption associated with computing could become a limiting factor for future scientific discovery, national security, and technological advancement.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

CASL Enterprise Project Management (EPM) Tool, a Unified PM Platform

The Consortium for Advanced Simulation of Light Water Reactors (CASL) applies existing modeling and simulation (M&S) capabilities and develops advanced capabilities to create a usable environment for predictive simulation of light water reactors (LWRs). This environment, designated the Virtual Environment for Reactor Applications (VERA), incorporates science based models, state of the art numerical methods, multi physics integrated solutions, modern computational science and engineering practices, and uncertainty quantification (UQ). Ongoing validation of VERA relies upon data from operating pressurized water reactors (PWRs), single effect experiments, and integral tests. VERA will be designed for implementation on current desktop computers, capacity platforms (e.g., clusters), and the engineering workstations of the future. Selected components will also be capable of executing on current U.S. Department of Energy (DOE) capability and leadership class high performance computer (HPC) systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cyber–Physical Correlation Effects in Defense Games for Large Discrete Infrastructures

In certain critical infrastructures, correlations between cyber and physical components can be exploited to launch strategic attacks, so that disruptions to one component may affect others and possibly the entire infrastructure. Such correlations must be explicitly taken into account in ensuring the survival of the infrastructure. For large discrete infrastructures characterized by the number of cyber and physical components, we characterize the cyber–physical interactions at two levels: (i) the cyber–physical failure correlation function specifies the conditional survival probability of the cyber sub-infrastructure given that of the physical sub-infrastructure (both specified by their marginal probabilities), and (ii) individual survival probabilities of both sub-infrastructures are characterized by first-order differential conditions expressed in terms of their multiplier functions. We formulate an abstract problem of ensuring the survival probability of a cyber–physical infrastructure with discrete components as a game between the provider and attacker, whose utility functions are composed of infrastructure survival probability terms and cost terms, both expressed in terms of the number of components attacked and reinforced. We derive Nash equilibrium conditions and sensitivity functions that highlight the dependence of infrastructure survival probability on cost terms, correlation functions, multiplier functions, and sub-infrastructure survival probabilities. We apply these analytical results to characterize the defense postures of simplified models of metro systems, cloud computing infrastructures, and smart power grids.

97 MATHEMATICS AND COMPUTING↗

Combining Partial Redundancy and Checkpointing for HPC

Today's largest High Performance Computing (HPC) systems exceed one Petaflops (10^15 floating point operations per second) and exascale systems are projected within seven years. But reliability is becoming one of the major challenges faced by exascale computing. With billion-core parallelism, the mean time to failure is projected to be in the range of minutes or hours instead of days. Failures are becoming the norm rather than the exception during execution of HPC applications. Current fault tolerance techniques in HPC focus on reactive ways to mitigate faults, namely via checkpoint and restart (C/R). Apart from storage overheads, C/R-based fault recovery comes at an additional cost in terms of application performance because normal execution is disrupted when checkpoints are taken. Studies have shown that applications running at a large scale spend more than 50\% of their total time saving checkpoints, restarting and redoing lost work. Redundancy is another fault tolerance technique, which employs redundant processes performing the same task. If a process fails, a replica of it can take over its execution. Thus, redundant copies can decrease the overall failure rate. The downside of redundancy is that extra resources are required and there is an additional overhead on communication and synchronization. This work contributes a model and analyzes the benefit of C/R in coordination with redundancy at different degrees to minimize the total wallclock time and resources utilization of HPC applications. We further conduct experiments with an implementation of redundancy within the MPI layer on a cluster. Our experimental results confirm the benefit of dual and triple redundancy - but not for partial redundancy - and show a close fit to the model. At 80,000 processes, dual redundancy requires twice the number of processing resources for an application but allows two jobs of 128 hours wallclock time to finish within the time of just one job without redundancy. For narrow ranges of processor counts, partial redundancy results in the lowest time. Once the count exceeds 770, 000, triple redundancy has the lowest overall cost. Thus, redundancy allows one to trade-off additional resource requirements against wallclock time, which provides a tuning knob for users to adapt to resource availabilities.

Elliott, James↗

Machine Learning in Power System Operations: Training Data

Reliability and stability of the electric grid today has depended upon operations of the grid which include the protective relay. Today, the electricity sector faces new challenges with the shift of generation resource characteristics away from the traditional “big iron” generation to inverter-based resources (IBR) which shift the physics and assumption used in grid operation and protection. These changing conditions represent new challenges for protective relays (identification of faults) and increased challenges for protection engineers (correct settings and configuration, reduction of mis-operations), both issues recognized in research and industry. Finding new approaches to reduce mis-operations in relaying and new approaches to fault identification is critical to grid operations. Using today’s modern technology of embedded systems, edge computing, machine learning (ML), and communications we can help address challenges and augment and improve on existing power system operations methodologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Linear embedding of nonlinear dynamical systems and prospects for efficient quantum algorithms

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic computational plasma physics. This motivates exploring whether a future error-corrected quantum computer could perform these simulations more efficiently than any classical computer. In this work, we describe a method for mapping any finite nonlinear dynamical system to an infinite linear dynamical system (embedding) and detail three specific cases of this method that correspond to previously studied mappings. Then we explore an approach for approximating the resulting infinite linear system with finite linear systems (truncation). Using a number of qubits only logarithmic in the number of variables of the nonlinear system, a quantum computer could simulate truncated systems to approximate output quantities if the nonlinearity is sufficiently weak. Other aspects of the computational efficiency of the three detailed embedding strategies are also discussed.

97 MATHEMATICS AND COMPUTING↗

Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus

The COVID-19 pandemic poses a severe threat to human health with an unprecedented social and economic disruption. Spike (S) glycoprotein of the SARS-CoV-2 virus is pivotal in understanding the virus anatomy, since it initiates the first contact with the ACE2 receptor in the human cell. We report results of ab initio computation of the spike protein, the largest ab initio quantum chemical computation to date on any bio-molecular system, using a divide and conquer strategy by focusing on individual structural domains. In this approach we divided the S-protein into seven structural domains: N-terminal domain (NTD), receptor binding domain (RBD), subdomain 1 (SD1), subdomain 2 (SD2), fusion peptide (FP), heptad repeat 1 with central helix (HR1-CH) and connector domain (CD). The entire Chain A has 14,488 atoms including the hydrogen atoms but excluding the amino acids with missing coordinates based on the PDB data (ID: 6VSB). The results include structural refinement, ab initio calculation of intramolecular bonding mechanism, 3- dimensional non-local inter-amino acid interaction with implications for the inter-domain interaction. Details of the electronic structure, interatomic bonding, partial charge distribution and the role played by hydrogen bond network are discussed. In the interaction among structural domains, we present new insights for crucial hinge-like movement and fusion process. Extension of such calculation to the interface between the S-protein binding domain and ACE2 receptor can provide a pathway for computational understanding of mutations and the design of therapeutic drugs to combat the COVID-19 pandemic.

59 BASIC BIOLOGICAL SCIENCES↗