Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “parallelization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Extending OpenSHMEM with Aggregation Support for Improved Message Rate Performance

OpenSHMEM is a highly efficient one-sided communication API that implements the PGAS parallel programming model, and is known for its low latency communication operations that can be mapped efficiently to RDMA capabilities of network interconnects. However, applications that use OpenSHMEM can be sensitive to point-to-point message rates, as many-to-many communication patterns can generate large amounts of small messages which tend to overwhelm network hardware that has predominantly been optimised for bandwidth over message rate. Additionally, many important emerging classes of problems such as data analytics are similarly troublesome for the irregular access patterns they employ. Message aggregation strategies have been proven to significantly enhance network performance, but their implementation often involves complex restructuring of user code, making them unwieldy. This paper shows how to combine the best qualities of message aggregation within the communication model of OpenSHMEM such that applications with small and irregular access patterns can improve network performance while maintaining their algorithmic simplicity. We do this by providing a path to a message aggregation framework called conveyors through a minimally intrusive OpenSHMEM extension introducing aggregation contexts that fit more naturally to the OpenSHMEM atomics, gets, and puts model. We test these extensions using four of the bale 3.0 applications which contain essential many-to-many access patterns to show how they can produce performance improvements of up to 65×.

Welch, Aaron↗
DOE OSTI2025

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)↗
DOE OSTI2025

Flexible User-Defined Domain Decomposition in Kilometer-Scale E3SM Land Model Simulation

The Energy Exascale Earth System Model (E3SM) Land Model (ELM) has been extended to kilometer-scale (km-ELM) resolutions, enabling high-fidelity simulations of terrestrial processes at 1 km x 1 km grid spacing. In ELM, domain decomposition partitions the computational domain across processors, ensuring efficient parallel execution. Currently, round-robin decomposition is applied, providing a straightforward way to distribute computational workload. As ELM continues evolving at the kilometer-scale (km-scale), particularly with integrating lateral flow modeling, decomposition strategies must also account for the increased workload and data movement. This paper introduces a flexible user-defined domain decomposition framework, allowing users to customize domain partitioning based on application requirements. The impact of different decomposition strategies is evaluated across various applications concerning computation, communication, and I/O. Results demonstrate that while 1D partitioning yields superior I/O performance, k-nearest neighbors (KNN) clustering effectively reduces inter-process communication overhead. This study lays the groundwork for scalable partitioning in large-scale land surface simulations, enhancing next-generation Earth system modeling.

Wang, Dali [ORNL] (ORCID:0000000168065108)↗
DOE OSTI2025

Priority-BF: A Task Manager for Priority-Based Scheduling

The increasing demand for computational resources, particularly in High-Performance Computing environments, necessitates to rethink how we handle job scheduling strategies. This work addresses the challenge of managing concurrent jobs with differing priorities on overloaded parallel systems, where strict QoS constraints are often difficult for users to define. Our solution relies on a qualitative description of priorities and pulls from two key approaches: the Easy-BF algorithm and the Conservative Backfilling algorithms. This solution improves the response time for high-priority jobs by 50% without affecting the overall system utilization. We show its applicability in several critical scenarios such as High-Performance Computing (HPC) resource management and in-situ computing.

Gainaru, Ana [ORNL]↗
DOE OSTI2020

First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

A unified approach for computing (i) spin-transfer torque in magnetic trilayers like spin valve and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces, and (ii) spin-orbit torque in magnetic bilayers of the type ferromagnet/spin-orbit-coupled material, where injected charge current flows parallel to the interface, was reviewed. The experimentally explored and technologically relevant spin-orbit-coupled materials include 5d heavy metals, topological insulators, Weyl semimetals, and transition metal dichalcogenides. This approach requires to construct the torque operator for a given Hamiltonian of the device and the steady-state nonequilibrium density matrix, where the latter is expressed in terms of the nonequilibrium Green’s functions and split into three contributions. Tracing these contributions with the torque operator automatically yields field-like and damping-like components of spin-transfer torque or spin-orbit torque vector, which is particularly advantageous for spin-orbit torque where the direction of these components depends on the unknown-in-advance orientation of the current-driven nonequilibrium spin density in the presence of spin-orbit coupling. Illustrative examples are provided by computing spin-transfer torque in a one-dimensional toy model of a magnetic tunnel junction and realistic Co/Cu/Co spin valve, both of which are described by first-principles Hamiltonians obtained from noncollinear density functional theory calculations, as well as by computing spin-orbit torque in a ferromagnetic layer described by a tight-binding Hamiltonian which includes spin-orbit proximity effect within ferromagnetic monolayers assumed to be generated by the adjacent monolayer transition metal dichalcogenide. In addition, it is shown here how spin-orbit proximity effect, quantified by computing (via first-principles retarded Green’s function) spectral functions and spin textures on monolayers of realistic ferromagnetic material like Co in contact with heavy metal or monolayer transition metal dichalcogenide, can be tailored to enhance the magnitude of spin-orbit torque. Furthermore, errors made in the calculation of spin-transfer torque are quantified when using Hamiltonian from collinear density functional theory, with rigidly rotated magnetic moments to create noncollinear magnetization configurations, instead of proper (but computationally more expensive) self-consistent Hamiltonian obtained from noncollinear density functional theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Entropy production far from equilibrium in a chiral charged plasma in the presence of external electromagnetic fields

We report on the time evolution of a charged strongly coupled N = 4 SYM plasma with an axial anomaly subjected to strong electromagnetic fields. The evolution of this plasma corresponds to a fully backreacted asymptotically AdS 5 solution to the Einstein-Maxwell-Chern-Simons theory. We explore the evolution of the axial current and production of axial charges. As an application we show that after a sufficiently long time both the entropy and the holographic entanglement entropy of a strip-like topology (both parallel to and transverse to the flow of axial current) grow linearly in time.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

General bounds on holographic complexity

We prove a positive volume theorem for asymptotically AdS spacetimes: the maximal volume slice has nonnegative vacuum-subtracted volume, and the vacuum-subtracted volume vanishes if and only if the spacetime is identically pure AdS. Under the Complexity=Volume proposal, this constitutes a positive holographic complexity theorem. The result features a number of parallels with the positive energy theorem, including the assumption of an energy condition that excludes false vacuum decay (the AdS weak energy condition). Our proof is rigorously established in broad generality in four bulk dimensions, and we provide strong evidence in favor of a generalization to arbitrary dimensions. Our techniques also yield a holographic proof of Lloyd’s bound for a class of bulk spacetimes. We further establish a partial rigidity result for wormholes: wormholes with a given throat size are more complex than AdS-Schwarzschild with the same throat size.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

On the interplay between magnetic field and anisotropy in holographic QCD

We investigate the combined effects of anisotropy and a magnetic field in strongly interacting gauge theories by the gauge/gravity correspondence. Our main motivation is the quark-gluon plasma produced in off-central heavy-ion collisions which exhibits large anisotropy in pressure gradients as well as large external magnetic fields. We explore two different configurations, with the anisotropy either parallel or perpendicular to the magnetic field, focusing on the competition and interplay between the two. A detailed study of the RG flow in the ground state reveals a rich structure where depending on which of the two, anisotropy or magnetic field, is stronger, intermediate geometries with approximate AdS 4 × $\mathbb{R}$ and AdS 3 × $\mathbb{R}$ 2 factors arise. This competition is also manifest in the phase structure at finite temperature, specifically in the dependence of the chiral transition temperature on anisotropy and magnetic field, from which we infer the presence of inverse magnetic and anisotropic catalyses of the chiral condensate. Finally, we consider other salient observables in the theory, including the quark-antiquark potential, shear viscosity, entanglement entropy and the butterfly velocity. We demonstrate that they serve as good probes of the theory, in particular, distinguishing between the effects of the magnetic field and anisotropy in the ground and plasma states. We also find that the butterfly velocity, which codifies how fast information propagates in the plasma, exhibits a rich structure as a function of temperature, anisotropy and magnetic field, exceeding the conformal value in certain regimes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Symbol alphabets in QCD and flag cluster algebras

The full 245-letter symbol alphabet for all planar massless two-loop six-point Feynman integrals was recently determined in arXiv:2412.19884 and arXiv:2501.01847. In a parallel mathematical development, it was shown in arXiv:2408.14956 that there is an embedding of the cluster algebra associated to the partial flag variety $\mathcal{Fl}$ $2,n-2;n$ , which describes the kinematics of n massless particles, into that of the Grassmannian Gr(n–2, 2n–4). In this paper we connect these developments by showing that most of the rational symbol letters can be expressed in terms of flag cluster variables, and that all of the algebraic symbol letters arise from infinite mutation sequences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Trigonometric continuous-variable gates and hybrid quantum simulations of the sine-Gordon model

Hybrid qubit-qumode quantum computing platforms provide a natural setting for simulating interacting bosonic quantum field theories. However, existing continuous-variable gate constructions rely predominantly on polynomial functions of canonical quadratures. In this work, we introduce a complementary universality paradigm based on trigonometric continuous-variable gates, which enable a Fourier-like representation of bosonic operators and are particularly well suited for periodic and non-perturbative interactions. We present an ancilla-based framework for implementing trigonometric gates with arguments given by arbitrary Hermitian functions of qumode quadratures. The protocol yields unitary gates deterministically, and non-unitary gates through probabilistic post-selection. As a concrete application, we develop a hybrid qubit-qumode quantum simulation of the lattice sine-Gordon model. Using these gates, we prepare ground states via quantum imaginary-time evolution, simulate real-time dynamics, compute time-dependent vertex two-point correlation functions, and extract quantum kink profiles under topological boundary conditions. Our results demonstrate that trigonometric continuous-variable gates provide a physically natural framework for simulating interacting field theories on near-term hybrid quantum hardware, while establishing a parallel route to universality beyond polynomial gate constructions. We expect that the trigonometric gates introduced here to find broader applications, including quantum simulations of condensed matter systems, quantum chemistry, and biological models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The cosmological bootstrap: inflationary correlators from symmetries and singularities

Scattering amplitudes at weak coupling are highly constrained by Lorentz invariance, locality and unitarity, and depend on model details only through coupling constants and the particle content of the theory. For example, four-particle amplitudes are analytic for contact interactions and have simple poles with appropriately positive residues for tree-level exchange. In this paper, we develop an understanding of inflationary correlators which parallels that of flat-space scattering amplitudes. Specifically, we study slow-roll inflation with weak couplings to extra massive particles, for which all correlation functions are controlled by an approximate conformal symmetry on the boundary of the spacetime. After systematically classifying all possible contact terms in de Sitter space, we derive an analytic expression for the four-point function of conformally coupled scalars mediated by the tree-level exchange of massive scalars. Conformal symmetry implies that the correlator satisfies a pair of differential equations with respect to spatial momenta, encoding bulk time evolution in purely boundary terms. The absence of unphysical singularities (and the correct normalization of physical ones) completely fixes this correlator. Moreover, a “spin-raising” operator relates it to the correlators associated with the exchange of particles with spin, while “weight-shifting” operators map it to the four-point function of massless scalars. We explain how these de Sitter four-point functions can be perturbed to obtain inflationary three-point functions. Using our formalism, we reproduce many classic results in the literature, such as the three-point function of slow-roll inflation, and provide a complete classification of all inflationary three- and four-point functions arising from weakly broken conformal symmetry. Remarkably, the inflationary bispectrum associated with the exchange of particles with arbitrary spin is completely characterized by the soft limit of the simplest scalar-exchange four-point function of conformally coupled scalars and a series of contact terms. Finally, we demonstrate that the inflationary correlators contain flat-space scattering amplitudes via a suitable analytic continuation of the external momenta, which can also be directly connected with the signals for particle production seen in the squeezed limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Electromagnetic duality and D3-brane scattering amplitudes beyond leading order

We use on-shell methods to study the non-supersymmetric and supersymmetric low-energy S-matrix on a probe D3-brane, including both the 1-loop contributions of massless states as well as the effects of higher-derivative operators. Our results include: (1) A derivation of the duality invariance of Born-Infeld electrodynamics as the dimensional oxidation of the group of spatial rotations transverse to a probe M2-brane; this is done using a novel implementation of subtracted on-shell recursion. (2) The first explicit loop-level BCJ double-copy in a non-gravitational model, namely the calculation of the 4-point self-dual amplitude of non-supersymmetric Born-Infeld. (3) From previous results for n-point self-dual 1-loop BI amplitudes and the conjectured dimension-shifting relations in Yang-Mills, we obtain an explicit all-multiplicity, at all orders in E, expression for the 1-loop integrand of the MHV sector of N = 4 DBI. (4) For all n > 4, the explicitly integrated duality-violating 1-loop amplitudes (self-dual and next-to-self-dual in pure BI as well as MHV in N = 4 DBI) are shown to be removable at O(ε 0 ) by adding finite local counterterms; we propose that this may be true more generally at 1-loop order. (5) We find that in non-supersymmetric Born-Infeld, not all finite local counterterms needed to restore electromagnetic duality can be constructed using the double-copy with higher-derivative corrections, suggesting a fundamental tension between electromagnetic duality and color-kinematics duality at loop-level. Finally we comment on oxidation of duality symmetries in supergravity and the parallels it has to the M2-brane to D3-brane oxidation demonstrated in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

2-Group global symmetries and anomalies in six-dimensional quantum field theories

We examine six-dimensional quantum field theories through the lens of higher-form global symmetries. Every Yang-Mills gauge theory in six dimensions, with field strength ƒ (2) , naturally gives rise to a continuous 1-form global symmetry associated with the 2-form instanton current J (2) ~ * Tr (ƒ (2) $\wedge$ ƒ (2) ). We show that suitable mixed anomalies involving the gauge field ƒ (2) and ordinary 0-form global symmetries, such as flavor or Poincaré symmetries, lead to continuous 2-group global symmetries, which allow two flavor currents or two stress tensors to fuse into the 2-form current J (2) . We discuss several features of 2-group symmetry in six dimensions, many of which parallel the four-dimensional case. The majority of six-dimensional supersymmetric conformal field theories (SCFTs) and little string theories have infrared phases with non-abelian gauge fields. We show that the mixed anomalies leading to 2-group symmetries can be present in little string theories, but that they are necessarily absent in SCFTs. This allows us to establish a previously conjectured algorithm for computing the ’t Hooft anomalies of most SCFTs from the spectrum of weakly-coupled massless particles on the tensor branch of these theories. We then apply this understanding to prove that the a -type Weyl anomaly of all SCFTs with a tensor branch must be positive, a > 0.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Color-octet scalars in Dirac gaugino models with broken R symmetry

In this work we study the collider phenomenology of color-octet scalars ( sgluons ) in supersymmetric models with Dirac gaugino masses that feature an explicitly broken R symmetry ( R - broken models ). We construct such models by augmenting minimal R -symmetric models with a fairly general set of supersymmetric and softly supersymmetry-breaking operators that explicitly break R symmetry. We then compute the rates of all significant two-body decays and highlight new features that appear as a result of R symmetry breaking, including enhancements to extant decay rates, novel tree- and loop-level decays, and improved cross sections of single sgluon production. We demonstrate in some detail how the familiar results from minimal R -symmetric models can be obtained by restoring R symmetry. In parallel to this discussion, we explore constraints on these models from the Large Hadron Collider. We find that, in general, R symmetry breaking quantitatively affects existing limits on color-octet scalars, perhaps closing loopholes for light CP-odd (pseudoscalar) sgluons while opening one for a light CP-even (scalar) particle. Qualitatively, however, we find that — much as for minimal R -symmetric models, despite stark differences in phenomenology — scenarios with broken R symmetry and two sgluons below the TeV scale can be accommodated by existing searches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Entanglement Renormalization for Quantum Field Theories with Discrete Wavelet Transforms

We propose an adaptation of Entanglement Renormalization for quantum field theories that, through the use of discrete wavelet transforms, strongly parallels the tensor network architecture of the Multiscale Entanglement Renormalization Ansatz (a.k.a. MERA). Our approach, called wMERA, has several advantages of over previous attempts to adapt MERA to continuum systems. In particular, (i) wMERA is formulated directly in position space, hence preserving the quasi-locality and sparsity of entanglers; and (ii) it enables a built-in RG flow in the implementation of real-time evolution and in computations of correlation functions, which is key for efficient numerical implementations. As examples, we describe in detail two concrete implementations of our wMERA algorithm for free scalar and fermionic theories in (1+1) spacetime dimensions. Possible avenues for constructing wMERAs for interacting field theories are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Enhanced negative energy with a massless Dirac field

Motivated by traversable wormhole constructions that require large amounts of negative energy, we explore constraints on the amount of negative energy that can be carried by a free Dirac field in a slab-shaped region between two parallel spatial planes. Specifically, we ask what is the minimum possible uniform energy density that can exist at some time, considering all possible states and all possibilities for the physics outside the slab. The vacuum state where we identify the two sides of the slab with antiperiodic boundary conditions gives one possible state with uniform negative energy, but we argue that states with more negative energy exist above 1+1 dimensions. Technically, we reduce the problem to studying a massive Dirac field on an interval in 1+1 dimensions and numerically search for states with uniform energy density in a lattice regulated model. We succeed in finding states with enhanced negative energy (relative to the antiperiodic vacuum) which also appear to have a sensible continuum limit. Our results for the mass-dependence of the minimum uniform energy density in 1+1 dimensions suggest that for a 3+1 dimensional massless Dirac fermion, it is possible to have states with arbitrarily large uniform negative energy density in an arbitrarily wide slab.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Symmetry-resolved entanglement entropy, spectra & boundary conformal field theory

We perform a comprehensive analysis of the symmetry-resolved (SR) entanglement entropy (EE) for one single interval in the ground state of a 1 + 1D conformal field theory (CFT), that is invariant under an arbitrary finite or compact Lie group, G. We utilize the boundary CFT approach to study the total EE, which enables us to find the universal leading order behavior of the SREE and its first correction, which explicitly depends on the irreducible representation under consideration and breaks the equipartition of entanglement. We present two distinct schemes to carry out these computations. The first relies on the evaluation of the charged moments of the reduced density matrix. This involves studying the action of the defect-line, that generates the symmetry, on the boundary states of the theory. This perspective also paves the way for discussing the infeasibility of studying symmetry resolution when an anomalous symmetry is present. The second scheme draws a parallel between the SREE and the partition function of an orbifold CFT. This approach allows for the direct computation of the SREE without the need to use charged moments. From this standpoint, the infeasibility of defining the symmetry-resolved EE for an anomalous symmetry arises from the obstruction to gauging. Finally, we derive the symmetry-resolved entanglement spectra for a CFT invariant under a finite symmetry group. We revisit a similar problem for CFT with compact Lie group, explicitly deriving an improved formula for U(1) resolved entanglement spectra. Using the Tauberian formalism, we can estimate the aforementioned EE spectra rigorously by proving an optimal lower and upper bound on the same. In the abelian case, we perform numerical checks on the bound and find perfect agreement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Difference equations and integral families for Witten diagrams

We show that tree-level and one-loop Mellin space correlators in anti-de Sitter space obey certain difference equations, which are the direct analog to the differential equations for Feynman loop integrals in the flat space. Finite-difference relations, which we refer to as “summation-by-parts relations”, in parallel with the integration-by-parts relations for Feynman loop integrals, are derived to reduce the integrals to a basis. We illustrate the general methodology by explicitly deriving the difference equations and summation-by-parts relations for various tree-level and one-loop Witten diagrams up to the four-point bubble level.

AdS-CFT Correspondence↗