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At least 415 records · Page 23

Towards large-scale quantum optimization solvers with few qubits

Quantum computers hold the promise of more efficient combinatorial optimization solvers, which could be game-changing for a broad range of applications. However, a bottleneck for materializing such advantages is that, in order to challenge classical algorithms in practice, mainstream approaches require a number of qubits prohibitively large for near-term hardware. Here we introduce a variational solver for MaxCut problems over $m={{\mathcal{O}}}({n}^{k})$ binary variables using only n qubits, with tunable k > 1. The number of parameters and circuit depth display mild linear and sublinear scalings in m , respectively. Moreover, we analytically prove that the specific qubit-efficient encoding brings in a super-polynomial mitigation of barren plateaus as a built-in feature. Altogether, this leads to high quantum-solver performances. For instance, for m = 7000, numerical simulations produce solutions competitive in quality with state-of-the-art classical solvers. In turn, for m = 2000, experiments with n = 17 trapped-ion qubits feature MaxCut approximation ratios estimated to be beyond the hardness threshold 0.941. Our findings offer an interesting heuristics for quantum-inspired solvers as well as a promising route towards solving commercially-relevant problems on near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles

Off-road vehicles, such as wheel loaders, excavators, and harvesters, are extensively utilized across a wide range of industries, including construction, agriculture, and mining. These machines have become indispensable in supporting the day-to-day operational needs of a nation, playing a critical role in various sectors' infrastructure and productivity. However, despite their utility, off-road vehicles are significant consumers of fossil fuels, resulting in substantial emissions that contribute to environmental degradation. This highlights the pressing need for research and technological advancements aimed at improving their energy efficiency and reducing their carbon footprint. There are, however, two primary challenges that must be addressed to achieve these goals. First, off-road vehicles typically perform both driving and working tasks simultaneously, which introduces a high level of complexity into their overall dynamic systems. Analysis the interactions between these functions is challenging. Second, research into off-road vehicles is inherently interdisciplinary, demanding expertise across several domains such as fluid power systems, vehicle dynamics, control theory, optimization techniques, and real-world implementation. Recognizing these challenges, we proposed the project titled "Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles" as a comprehensive solution to enhance fuel efficiency while simultaneously improving productivity. This project specifically focuses on autonomous off-road vehicles, with particular attention to wheel loaders, and seeks to develop novel methods to optimize energy consumption without sacrificing operational performance. The project integrates real-time control algorithms, vehicle dynamics modeling, and co-optimization of powertrain system and vehicle system to achieve these goals. Our optimization strategy dynamically co-optimizes critical parameters at both the powertrain and vehicle levels, including vehicle speed, working tool movements, powertrain dynamics, and engine operations in real-time. To streamline this optimization process, we developed a vehicle model that captures the key dynamics while significantly enhancing computational efficiency. This allows the system to intelligently minimize fuel consumption, all while maintaining or even improving productivity through real-time calculations during various off-road operations. To validate the effectiveness of this energy optimization method, we introduced a state-of-the-art Hardware-in-the-Loop (HIL) testbed. This reconfigurable testbed seamlessly integrates the actual engine with virtual models of the wheel loader's subsystems, allowing for accurate emulation of real-world operational loads and environments. By simulating these conditions, the HIL testbed enables us to evaluate the wheel loader’s performance under diverse working scenarios, ensuring the developed solution is applicable in real-world operations. This testbed proved to be instrumental in validating the optimization algorithms and demonstrating the system's practical effectiveness. During the evaluation and testing phase, we employed the HIL testbed to rigorously assess the energy savings and productivity improvements generated by the optimized system. The results were highly encouraging, revealing that the automated wheel loader achieved over 30% fuel savings compared to traditional, human-operated cycles, with comparable or even enhanced levels of productivity. The insights gained from this HIL-based testing provided critical validation of our approach and highlighted the potential for deploying these optimized autonomous technologies in real-world off-road vehicles.

33 ADVANCED PROPULSION SYSTEMS↗

Unification of finite symmetries in the simulation of many-body systems on quantum computers

Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems can result in significant overhead due to the exponentially growing size of some symmetry groups as the number of particles increases. Quantum computers hold the promise of achieving exponential speedup in simulating quantum many-body systems; however, a general method for utilizing symmetries in quantum simulations has not yet been established. In this work, we present a unified framework for incorporating symmetry group transforms on quantum computers to simulate many-body systems. The core of our approach lies in the development of efficient quantum circuits for symmetry-adapted projection onto irreducible representations of a group or pairs of commuting groups. We provide resource estimations for common groups, including the cyclic and permutation groups. Our algorithms demonstrate the capability to prepare coherent superpositions of symmetry-adapted states and to perform quantum evolution across a wide range of models in condensed-matter physics and ab initio electronic structure in quantum chemistry. Specifically, we execute a symmetry-adapted quantum subroutine for small molecules in first-quantization on noisy hardware and demonstrate the emulation of symmetry-adapted quantum phase estimation for preparing coherent superpositions of quantum states in various irreducible representations of a symmetry group. In addition, we present a discussion of open problems regarding treating symmetries in digital quantum simulations of many-body systems, paving the way for future systematic investigations into leveraging symmetries quantumly for practical quantum advantage. The broad applicability and rigorous resource estimation for symmetry transformations make our framework appealing for achieving provable quantum advantage on fault-tolerant quantum computers, especially for symmetry-related properties.

quantum algorithms↗

Adaptive Variational Quantum Computing Approaches for Green’s Functions and Nonlinear Susceptibilities

Here, we present and benchmark quantum computing approaches for calculating real-time single-particle Green’s functions and nonlinear susceptibilities of Hamiltonian systems. The approaches leverage adaptive variational quantum algorithms for state preparation and propagation. Using automatically generated compact circuits, the dynamical evolution is performed over sufficiently long times to achieve adequate frequency resolution of the response functions. We showcase accurate Green’s function calculations using a statevector simulator on classical hardware for Fermi-Hubbard chains of 4 and 6 sites, with maximal ansatz circuit depths of 65 and 424 layers, respectively, and for the molecule LiH with a maximal ansatz circuit depth of 81 layers. Additionally, we consider an antiferromagnetic quantum spin-1 model that incorporates the Dzyaloshinskii-Moriya interaction to illustrate calculations of the third-order nonlinear susceptibilities, which can be measured in two-dimensional coherent spectroscopy experiments. These results demonstrate that real-time approaches using adaptive parametrized circuits to evaluate linear and nonlinear response functions can be feasible with near-term quantum processors.

97 MATHEMATICS AND COMPUTING↗

Ising meson spectroscopy on a noisy digital quantum simulator

Abstract Quantum simulation has the potential to be an indispensable technique for the investigation of non-perturbative phenomena in strongly-interacting quantum field theories (QFTs). In the modern quantum era, with Noisy Intermediate Scale Quantum (NISQ) simulators widely available and larger-scale quantum machines on the horizon, it is natural to ask: what non-perturbative QFT problems can be solved with the existing quantum hardware? We show that existing noisy quantum machines can be used to analyze the energy spectrum of several strongly-interacting 1+1D QFTs, which exhibit non-perturbative effects like ‘quark confinement’ and ‘false vacuum decay’. We perform quench experiments on IBM’s quantum simulators to compute the energy spectrum of 1+1D quantum Ising model with a longitudinal field. Our results demonstrate that digital quantum simulation in the NISQ era has the potential to be a viable alternative to numerical techniques such as density matrix renormalization group or the truncated conformal space methods for analyzing QFTs.

Science & Technology - Other Topics↗

Characterizing the Impact of GPU Power Management on an Exascale System

As GPU-accelerated high-performance computing (HPC) systems approach exascale performance, controlling energy consumption without compromising throughput is essential. Architectures such as the AMD MI250X-based Frontier supercomputer provide runtime mechanisms like frequency and power capping, enabling energy tuning without modifying application code. Although both target energy reduction, they operate via distinct hardware control paths and influence workloads differently. We present a comprehensive evaluation of these strategies on a leadership-class system using diverse HPC proxy applications representative of production workloads. Our study analyzes performance–energy trade-offs across multiple capping levels, node counts (1 and 32), and application profiles. Results show that frequency capping generally achieves higher energy efficiency and scalability, with gains of up to 13.2% without performance loss, while power capping is more effective for single-node runs or bursty GPU utilization. We also provide practical guidelines to help system administrators and users balance energy efficiency and performance in large-scale scientific workloads.

Costa, Mariana [Universidade Federal do Rio Grande↗

ARQUIN: Architectures for Multinode Superconducting Quantum Computers

Many proposals to scale quantum technology rely on modular or distributed designs wherein individual quantum processors, called nodes, are linked together to form one large multinode quantum computer (MNQC). One scalable method to construct an MNQC is using superconducting quantum systems with optical interconnects. However, internode gates in these systems may be two to three orders of magnitude noisier and slower than local operations. Surmounting the limitations of internode gates will require improvements in entanglement generation, use of entanglement distillation, and optimized software and compilers. Still, it remains unclear what performance is possible with current hardware and what performance algorithms require. In this article, we employ a systems analysis approach to quantify overall MNQC performance in terms of hardware models of internode links, entanglement distillation, and local architecture. We show how to navigate tradeoffs in entanglement generation and distillation in the context of algorithm performance, lay out how compilers and software should balance between local and internode gates, and discuss when noisy quantum internode links have an advantage over purely classical links. Here, we find that a factor of 10–100× better link performance is required and introduce a research roadmap for the co-design of hardware and software towards the realization of early MNQCs. While we focus on superconducting devices with optical interconnects, our approach is general across MNQC implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lessons Learned and Scalability Achieved When Porting Uintah to DOE Exascale Systems

A key challenge faced when preparing codes for Department of Energy (DOE) exascale systems was designing scalable applications for systems featuring hardware and software not yet available at leadership-class scale. With such systems now available, it is important to evaluate scalability of the resulting software solutions on these target systems. One such code designed with the exascale DOE Aurora and DOE Frontier systems in mind is the Uintah Computational Framework, an open-source asynchronous many-task (AMT) runtime system. To prepare for exascale, Uintah adopted a portable MPI+X hybrid parallelism approach using the Kokkos performance portability library (i.e., MPI+Kokkos). This paper complements recent work with additional details and an evaluation of the resulting approach on Aurora and Frontier. Results are shown for a challenging benchmark demonstrating interoperability of 3 portable codes essential to Uintah-related combustion research. These results demonstrate single-source portability across Aurora and Frontier with scaling characteristics shown to 3,072 Aurora nodes and 9,216 Frontier nodes. In addition to showing results run to new scales on new systems, this paper also discusses lessons learned through efforts preparing Uintah for exascale systems.

Holmen, John [ORNL] (ORCID:0000000259342641)↗

Noise-Directed Adaptive Remapping for Integer Optimization: from qubits to (encoded) qudits

We extend Noise-Directed Adaptive Remapping (NDAR), a recently proposed heuristic meta-algorithm that leverages device noise as a computational resource, to optimization problems over discrete (integer) domains. While originally introduced for unconstrained binary optimization, the proposed generalization introduces additional gauge degrees of freedom at the logical level, such that the gauge transformation applied at each iteration is no longer unique, allowing tailoring to particular encodings or quantum hardware. We identify encoding-dependent requirements for NDAR beyond binary domains: feasibility of the noise attractor, existence of compatible gauge transformations that preserve an efficiently implementable circuit family, and a systematic way to select the transform to apply at each step. We analyze these criteria for qudit-native and for binary, one-hot, and domain-wall qubit encodings, using the Max-k-colorable subgraph problem as a running example. We demonstrate that these encodings can exhibit distinct advantages and tradeoffs when integrated within the NDAR framework, particularly in how noise-induced dynamics interact with the solution landscape and choice of encoding. Our results indicate that NDAR-guided noise considerations provide a new criterion for comparing device-level encoding choices for quantum optimization. Finally, we outline directions toward experimental realization in superconducting qudit devices and further algorithmic improvements.

Hadfield, Stuart [RIACS, Mtn. View] (ORCID:0000000↗

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimized V1G and V2G Electric Vehicle Fleet Management and Grid Transaction at Marine Corps Air Station Miramar in San Diego, CA

The overall technical goal of the project was to demonstrate an all-electric bi-directional non-tactical fleet at Marine Corps Air Station (MCAS) Miramar that was integrated and controlled with other distributed energy resources (DERs) (i.e., PV, stationary battery, and building loads) to provide resilience to critical electric loads in the event of grid outages, to minimize charging costs, and to provide economic energy resources to electricity markets. In this project, the specific, technical objectives were: 1. Demonstrate that bi-directional electric vehicles can provide critical complementary services to fixed storage batteries in microgrid applications while performing function as non-tactical vehicles. 2. Demonstrate participation of bi-directional (V2G) and unidirectional (V1G) PEVs for demand management and minimization of charging costs. 3. Demonstrate integration of multiple DERs for grid service participation. US Marine Corps Air Station (MCAS) Miramar in San Diego was the site of this electric vehicle-to-microgrid-utility grid test and demonstration project. Existing microgrid assets in this study included (1) a public works building; (2) a 30-kW rooftop photovoltaic (PV) system and (3) a separate 250 kW carport PV system. In this project, six bi-directional V2G vans were located at the MCAS Miramar’s showcase building-scale microgrid to develop and test technical capabilities that V2G can provide in microgrid applications (e.g., cost reduction and resiliency). These resources provided aggregated demand management and simulated participation in current retail DR programs. The vehicles used in this demonstration were selected because they provided functionality that MCAS Miramar needed, 15 passenger transport and facilities work cargo carrying capacity, and bi-directional charging capability that the research project required. All vehicles in this study were manufactured and distributed by VIA Motors, Inc. There were six vehicles total and each was VIA’s VTRUX eREV V2G model, a modified General Motors Chevrolet 2500 2WD van. Three of the vans were configured as passenger vans and the other three were configured as cargo vans. Each van had an on-board bi-direcrtional inverter/charger, Bel Power Solutions model 350INVCHGT150-120-240-8G nominally rated at +/-15 kW. The VIA van’s charging connector follows the J1772 charging protocol. The bi-directional EVSEs demonstrated in this study were manufactured by Coritech, Inc. Each VGI-80-AC charging station enabled enhanced V2G charging capability to a Clipper Creek CS-100 charging module. The enhanced capabilities included ethernet communication following the SEP2.0 protocol with a distributed energy resource function set and an operator screen displaying real-time SOC, voltage, and current. The VGI-80-AC charging stations are classified as level 2 with a maximum current output of 80 A or effectively 19 kW. The VIA van’s onboard charger limited the charging and discharging power to 15 kW in each direction. A control computer was installed in the EWOC and connected to an existing monitor. The V2G control communication network was a completely stand-alone closed system that did not have any connection to any other networks on the base. A cybersecure remote communication connection was created with a cellular modem, firewall hardware, and a virtual private network configuration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Developing and Distributing HEP Software Stacks with Spack

The Computational Science and AI Directorate at Fermilab is using Spack to support the development efforts of a large number of scientific programmers, in many independent projects and experiments. While independent, these projects share many dependencies. They are typically under continuous and fairly rapid development. They have to support deployment on diverse hardware. This is a different context than is typical for the management of HPC software, where Spack was born. To support our community, we have created a model that enables users to develop code with greater efficiency than is possible with Spack’s current development facilities. In this talk we will present: - a brief introduction to the science we support (particle physics) - how the code we work with is naturally organized into several layers of packages - how we are using Spack to manage those layers - how we leverage the layering to provide efficient support for developers, using our Spack extension “MPD”. - some suggestions for changes or additions to Spack to make such work easier.

Knoepfel, Kyle J. [Fermilab]↗

CRCNS22 Learning Rules in the Hippocampus and their Mapping to Neuromorphic Systems (Final Technical Report)

Large scale biologically-realistic computational models are key to investigating the interplay between structure and function in nervous systems, thus paving the way to new clinical methods and neuro-inspired computing solutions. This project focuses on the hippocampus, in particular the CA3-CA1 regions, due to their role in associative learning and memory, pattern separation and completion, and spatial navigation. Investigations into the neuronal organization and learning rule(s) of this circuit can shed light into how declarative memories are formed, stored, recalled and forgotten and inform computational, experimental and clinical neuroscience work. Our project aims at developing a novel data-driven methodology supported by a broad heterogeneous base of neuroscience experimental knowledge and inspired from advances in computer science and engineering. Specifically, this work will benchmark existing and new learning rules within a full-scale spiking neural network simulation of the CA3-CA1 region. The model will be based on an open-source repository, called the Hippocampome, which contains neuronal morphologies, firing patterns, synapse probabilities, and most other required parameters for all known neuron types in the rodent hippocampal formation. The model will be first trained in a supervised fashion for associative memory tasks using backpropagation through time traditionally used in computer science, enhanced with a new technique called the surrogate gradient method. This optimization method will be used to obtain a global loss minimization, but it is not biologically inspired as it assumes the use of data not locally available to the synapses. However, we propose its use as a benchmarking tool, to compare the training performance of local biologically plausible and hardware-mappable learning rules at scale. New rules or combinations will be proposed and tested as needed, based on the obtained results. Progress in this area will also drive the development of novel hardware-mappable algorithms for continual lifelong learning and categorization of new events from few presented examples. This project goes beyond the existing state-of-the-art by looking at large scale realistic neuronal circuits as networks trainable via global optimization methods such as surrogate gradient descent. The objective function of the brain that supports learning is largely unknown, but it is likely that it operates through local learning rules. Studying network trajectories around local minima as proposed in this work represents a useful strategy for understanding whether a network is training by using a specific (set of) learning rule(s). Starting from a completely untrained network is a challenging test since it is difficult to determine how the learning rule affects the trajectory of the network. This interdisciplinary project will help understand what rule governs learning in these regions or if multiple learning rules are involved. The work will develop a robust methodology to measure if the network is converging to the target solution, oscillating around it, or diverging away.

59 BASIC BIOLOGICAL SCIENCES↗

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Cryogenic Muon Tagging System Integrated with a Superconducting Qubit Device for Radiation-Induced Error Mitigation

Superconducting qubits are highly sensitive to ionizing radiation, which can induce correlated errors and limit scalable fault-tolerant quantum computing. In particular, cosmic-ray muons can deposit energy in the substrate, generating phonon bursts that break Cooper pairs and produce quasiparticles, leading to correlated decoherence events across multiple qubits. We present the development of a cryogenic muon tagging system based on Kinetic Inductance Detectors (KIDs) and its integration with superconducting quantum hardware. Originally developed within the ACE-SuperQ project and validated as a standalone detector, the system demonstrated a muon tagging efficiency of approximately 90% and excellent agreement with Monte Carlo simulations. Building on this validation, the tagging system has been integrated with a multi-qubit superconducting chip operated in a dilution refrigerator. The detector configuration consists of a multi-layer KID stack arranged above and below the quantum device, enabling time-coincident identification of muon-induced events within the same cryogenic environment. The integrated setup has been successfully commissioned, enabling simultaneous operation of the qubit chip and the muon tagging system. A first measurement campaign has been carried out, and preliminary data show time-correlated events between the muon tagging detectors and the qubit readout. A quantitative analysis of radiation-induced effects on qubit performance is currently ongoing. This work represents a step toward the implementation of event-level radiation tagging as a tool for characterizing and potentially mitigating correlated errors in superconducting quantum processors, while establishing a modular platform for future studies at the interface between particle physics and quantum information science.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

Docker Containers for MCNP ® Development

Containers are a revolutionary technology in software development and deployment that provides a lightweight, portable environment for ensuring consistency across multiple computing environments. In anticipation of the MCNP 6.3.1 release, two Docker container images have been released on DockerHub for general use. The MCNP source code is not included in the images, and users are still required to obtain it through RSICC. The images produced by Docker are compliant with the OCI (Open Container Initiative) standards, ensuring compatibility with other container engines such as Podman or Kubernetes’ CRI-O. Initially, the images are stored under the author’s personal space on DockerHub (docker.io/azukaitis), but they will be relocated to a dedicated MCNP group space once approved. In the future, they will also be available through the registry feature of the https://github.com/lanl/mcnp-containers project. The use of Docker provides a pre-configured environment for building and running MCNP, ensuring reproducibility of results across various host architectures. This significantly improves consistency when running MCNP on different systems. Notably, executables and installers from the Docker images have successfully passed the MCNP development branch testing suite on x86-64 architectures, including Windows, macOS, and Linux operating systems. Furthermore, testing has demonstrated compatibility with macOS Docker in emulation mode on the latest Apple Mac M2 Ultra hardware, ensuring robust support even on the latest platforms. In this document, we will provide a step-by-step guide to using the Docker images across multiple platforms. Additionally, we will present performance numbers for building and running the MCNP test suite.

97 MATHEMATICS AND COMPUTING↗

A Global Perspective on Supercomputer Power Provisioning: Case Studies from United States and Europe

Electrical provisioning in high performance computing is transitioning from simple nameplate Thermal Design Power (TDP) models to more nuanced approaches based on expected electrical load. This paper captures current power provisioning strategies across six international supercomputing centers and seven systems, three of which (Lumi, Summit, Sierra) were in the top 10 of the Top500 list at the time of data collection1. We present longitudinal and summary data of actual power consumption as well as a discussion of how each site approached the question of provisioning. We conclude with a discussion on future directions of hardware overprovisioning and its implications for machine and electrical utilization.

Patki, Tapasya [Lawrence Livermore National Labora↗