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DOE OSTI2026

Efficient Routing of Quantum LDPC Codes on Programmable 2D Toric Architectures

Quantum low-density parity-check codes are promising candidates towards scalable fault-tolerant quantum computation. Among these, bivariate bicycle (BB) codes offer superior encoding rates and large code distance compared to surface codes. However, their requirement on long-range stabilizer measurements poses significant challenges for implementation on realistic hardware with limited connectivity, such as superconducting circuit platforms. In this work, we introduce a novel hardware-software co-design that leverages a programmable communication network architecture to address these limitations. Our approach utilizes a 2D toric network of oscillators as a flexible communication fabric linking qubits at each site. Such architecture significantly reduces the number of long-range couplers required from O ( n ) to O (√ n ). Dual-rail qubits, along with native gates including Swap-Wait-Swap gates and beamsplitter SWAPs, ensure that long-range two-qubit gates can be executed with high fidelity and low latency. To further enhance performance, our qubit layout and routing algorithm utilize symmetries of the codes and enable maximum parallelism for long-range two-qubit gates, maintaining a low syndrome extraction cycle duration and scalability over the code length. We perform circuit-level simulation with realistic noise modeling based on experimental hardware parameters, observing an logical error rate per logical qubit per cycle of 3.06% for [[18,4,4]] BB code, 2.6× less than the existing experimental result. These findings provide a practical roadmap and identify key technological advancements needed to achieve low-overhead fault-tolerant quantum computing at scale.

Liu, Kun [Yale Univ., New Haven, CT (United States↗

NASA NTRS2013

Smart-Divert Powered Descent Guidance to Avoid the Backshell Landing Dispersion Ellipse

A smart-divert capability has been added into the Powered Descent Guidance (PDG) software originally developed for Mars pinpoint and precision landing. The smart-divert algorithm accounts for the landing dispersions of the entry backshell, which separates from the lander vehicle at the end of the parachute descent phase and prior to powered descent. The smart-divert PDG algorithm utilizes the onboard fuel and vehicle thrust vectoring to mitigate landing error in an intelligent way: ensuring that the lander touches down with minimum- fuel usage at the minimum distance from the desired landing location that also avoids impact by the descending backshell. The smart-divert PDG software implements a computationally efficient, convex formulation of the powered-descent guidance problem to provide pinpoint or precision-landing guidance solutions that are fuel-optimal and satisfy physical thrust bound and pointing constraints, as well as position and speed constraints. The initial smart-divert implementation enforced a lateral-divert corridor parallel to the ground velocity vector; this was based on guidance requirements for MSL (Mars Science Laboratory) landings. This initial method was overly conservative since the divert corridor was infinite in the down-range direction despite the backshell landing inside a calculable dispersion ellipse. Basing the divert constraint instead on a local tangent to the backshell dispersion ellipse in the direction of the desired landing site provides a far less conservative constraint. The resulting enhanced smart-divert PDG algorithm avoids impact with the descending backshell and has reduced conservatism.

Carson, John M.↗

DOE OSTI2025

Parallel-in-Time Solution of Scalar Nonlinear Conservation Laws

Here, we consider the parallel-in-time solution of scalar nonlinear conservation laws in one spatial dimension. The equations are discretized in space with a conservative finite-volume method using weighted essentially nonoscillatory (WENO) reconstructions, and in time with high-order explicit Runge–Kutta methods. The solution of the global, discretized space-time problem is sought via a nonlinear iteration that uses a novel linearization strategy in cases of nondifferentiable equations. Under certain choices of discretization and algorithmic parameters, the nonlinear iteration coincides with Newton’s method, although, more generally, it is a preconditioned residual correction scheme. At each nonlinear iteration, the linearized problem takes the form of a certain discretization of a linear conservation law over the space-time domain in question. An approximate parallel-in-time solution of the linearized problem is computed with a single multigrid reduction-in-time (MGRIT) iteration; however, any other effective parallel-in-time method could be used in its place. The MGRIT iteration employs a novel coarse-grid operator that is a modified conservative semi-Lagrangian discretization and generalizes those we have developed previously for nonconservative scalar linear hyperbolic problems. Numerical tests are performed for the inviscid Burgers and Buckley–Leverett equations. For many test problems, the solver converges in just a handful of iterations with a convergence rate independent of mesh resolution, including problems with (interacting) shocks and rarefactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

GridPACK™ : A Framework for Developing Power Grid Simulations on High-Performance Computing Platforms

This paper describes the GridPACK™ framework, which is designed to help power grid engineers develop modeling software capable of running on high performance computers. The framework makes extensive use of software templates to provide high level functionality while at the same time allowing developers the freedom to express whatever models and algorithms they are using. GridPACK™ contains modules for setting up distributed power grid networks, assigning buses and branches with arbitrary behaviors to the network, creating distributed matrices and vectors and using parallel linear and non-linear solvers to solve algebraic equations. It also provides mappers to create matrices and vectors based on properties of the network and functionality to support IO and to mana

Palmer, Bruce J.↗

NASA NTRS1980

Parallel processing implementations of a contextual classifier for multispectral remote sensing data

The applicability of parallel processing schemes to the implementation of a contextual classification algorithm which exploits the spatial and spectral context of a multispectral remote sensing pixel to achieve classification is examined. Two algorithms for classifying each multivariate pixel taking into account the probable classifications of neighboring pixels are presented which make use of a size three horizontally linear neighborhood, and the serial computational complexity of the more efficient algorithm is shown to grow in proportion to the number of pixels and the cube of the number of possible categories. The implementation of the more efficient algorithm on a CDC Flexible Processor system and on a multimicroprocessor system such as the proposed PASM is then discussed. It is noted that the use of N processors to perform the calculations N times faster than a single processor overcomes the principal disadvantage of contexual classifiers, i.e., their computational complexity.

Siegel, H. J.↗

NASA NTRS1989

Investigation of the applicability of a functional programming model to fault-tolerant parallel processing for knowledge-based systems

In a fault-tolerant parallel computer, a functional programming model can facilitate distributed checkpointing, error recovery, load balancing, and graceful degradation. Such a model has been implemented on the Draper Fault-Tolerant Parallel Processor (FTPP). When used in conjunction with the FTPP's fault detection and masking capabilities, this implementation results in a graceful degradation of system performance after faults. Three graceful degradation algorithms have been implemented and are presented. A user interface has been implemented which requires minimal cognitive overhead by the application programmer, masking such complexities as the system's redundancy, distributed nature, variable complement of processing resources, load balancing, fault occurrence and recovery. This user interface is described and its use demonstrated. The applicability of the functional programming style to the Activation Framework, a paradigm for intelligent systems, is then briefly described.

Harper, Richard↗

NASA NTRS1993

Controls-structures-interaction dynamics during RCS control of the Orbiter/SRMS/SSF configuration

During the assembly flights of the Space Station Freedom (SSF), the Orbiter will either dock with the SSF and retract to the final berthed position, or will grapple the SSF using the Shuttle Remote Manipulator System (SRMS) and maneuver the SRMS coupled vehicles to their final berthed position. The SRMS method is expected to take approximately one to one and a half hours to complete and require periodic attitude corrections by either the Orbiter or the SSF reaction control system (RCS) or continuous control by a control moment gyro (CMG) system with RCS desaturation as required. Free drift of the attached vehicles is not currently thought to be acceptable because the desired system attitude will quickly deteriorate due to unbalanced gravity gradient and aerodynamic torques resulting in power generation problems, thermodynamic control problems, and communications problems. This paper deals with the simulation and control of the SRMS during trunnion/latch interaction dynamics and during RCS maneuvers. The SRMS servo drive joints have highly non-linear elastic characteristics which tend to degrade sensitive control strategies. In addition the system natural frequencies are extremely low and depend on the drive joint deflections and SRMS geometric position. The lowest mean period of oscillation for the Orbiter/SRMS/SSF(MB6) system in brakes hold mode positioned near the final berthed position is approximately 120 seconds. A detailed finite element model of the SRMS has been developed and used in a newly developed SRMS systems dynamics simulation to investigate the non-linear transient response dynamics of the Orbiter/SRMS/SSF systems. The present SRMS control strategy of brakes only recommended by the Charles Draper Labs is contrasted with a robust controller developed by the authors. The robust controller uses an optimal inear quadratic regulator (LQR) to optimally place the closed-loop poles of a multivariable continuous-time system within the common region of an open sector with the sector angle plus or minus 45 degrees from the negative real axis, and the left-hand side of a parallel to the imaginary axis in the complex s-plane. This guarantees that the critical damping ratio for the desired control modes is equal to or in excess of 0.707. The matrix sign function is used for solving the Riccati equations which appear in the controller design procedure. Fast and stable algorithms have recently been developed for the computation of the matrix sign function. Simulation results are given which demonstrate the potential CSI involvement for the current SRMS control system and the proposed control system.

Schliesing, J. A.↗

NASA NTRS1999

Parallel Tetrahedral Mesh Adaptation with Dynamic Load Balancing

The ability to dynamically adapt an unstructured grid is a powerful tool for efficiently solving computational problems with evolving physical features. In this paper, we report on our experience parallelizing an edge-based adaptation scheme, called 3D_TAG. using message passing. Results show excellent speedup when a realistic helicopter rotor mesh is randomly refined. However. performance deteriorates when the mesh is refined using a solution-based error indicator since mesh adaptation for practical problems occurs in a localized region., creating a severe load imbalance. To address this problem, we have developed PLUM, a global dynamic load balancing framework for adaptive numerical computations. Even though PLUM primarily balances processor workloads for the solution phase, it reduces the load imbalance problem within mesh adaptation by repartitioning the mesh after targeting edges for refinement but before the actual subdivision. This dramatically improves the performance of parallel 3D_TAG since refinement occurs in a more load balanced fashion. We also present optimal and heuristic algorithms that, when applied to the default mapping of a parallel repartitioner, significantly reduce the data redistribution overhead. Finally, portability is examined by comparing performance on three state-of-the-art parallel machines.

Oliker, Leonid↗

NASA NTRS2004

Topography Modeling in Atmospheric Flows Using the Immersed Boundary Method

Numerical simulation of flow over complex geometry needs accurate and efficient computational methods. Different techniques are available to handle complex geometry. The unstructured grid and multi-block body-fitted grid techniques have been widely adopted for complex geometry in engineering applications. In atmospheric applications, terrain fitted single grid techniques have found common use. Although these are very effective techniques, their implementation, coupling with the flow algorithm, and efficient parallelization of the complete method are more involved than a Cartesian grid method. The grid generation can be tedious and one needs to pay special attention in numerics to handle skewed cells for conservation purposes. Researchers have long sought for alternative methods to ease the effort involved in simulating flow over complex geometry.

Ackerman, A. S.↗

DOE OSTI2016

Tokamak-independent software analysis suite for multi-spectral line-polarization MSE diagnostics

A tokamak-independent analysis suite has been developed to process data from Motional Stark Effect (mse) diagnostics. The software supports multi-spectral line-polarization mse diagnostics which simultaneously measure emission at the mse σ and π lines as well as at two "background" wavelengths that are displaced from the mse spectrum by a few nanometers. This analysis accurately estimates the amplitude of partially polarized background light at the σ and π wavelengths even in situations where the background light changes rapidly in time and space, a distinct improvement over traditional "time-interpolation" background estimation. The signal amplitude at many frequencies is computed using a numerical-beat algorithm which allows the retardance of the mse photo-elastic modulators (pem's) to be monitored during routine operation. It also allows the use of summed intensities at multiple frequencies in the calculation of polarization direction, which increases the effective signal strength and reduces sensitivity to pem retardance drift. The software allows the polarization angles to be corrected for calibration drift using a system that illuminates the mse diagnostic with polarized light at four known polarization angles within ten seconds of a plasma discharge. As a result, the software suite is modular, parallelized, and portable to other facilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

24.77 Pflops on a Gravitational Tree-Code to Simulate the Milky Way Galaxy with 18600 GPUs, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

We have simulated, for the first time, the long term evolution of the Milky Way Galaxy using 51 billion particles on the Swiss Piz Daint supercomputer with our N-body gravitational tree-code Bonsai. Herein, we describe the scientific motivation and numerical algorithms. The Milky Way model was simulated for 6 billion years, during which the bar structure and spiral arms were fully formed. This improves upon previous simulations by using 1000 times more particles, and provides a wealth of new data that can be directly compared with observations. We also report the scalability on both the Swiss Piz Daint and the US ORNL Titan. On Piz Daint the parallel efficiency of Bonsai was above 95%. The highest performance was achieved with a 242 billion particle Milky Way model using 18600 GPUs on Titan, thereby reaching a sustained GPU and application performance of 33.49 Pflops and 24.77 Pflops respectively.

Computer Science↗

NASA NTRS1993

Algorithm and code development for unsteady three-dimensional Navier-Stokes equations

In the last two decades, there have been extensive developments in computational aerodynamics, which constitutes a major part of the general area of computational fluid dynamics. Such developments are essential to advance the understanding of the physics of complex flows, to complement expensive wind-tunnel tests, and to reduce the overall design cost of an aircraft, particularly in the area of aeroelasticity. Aeroelasticity plays an important role in the design and development of aircraft, particularly modern aircraft, which tend to be more flexible. Several phenomena that can be dangerous and limit the performance of an aircraft occur because of the interaction of the flow with flexible components. For example, an aircraft with highly swept wings may experience vortex-induced aeroelastic oscillations. Also, undesirable aeroelastic phenomena due to the presence and movement of shock waves occur in the transonic range. Aeroelastically critical phenomena, such as a low transonic flutter speed, have been known to occur through limited wind-tunnel tests and flight tests. Aeroelastic tests require extensive cost and risk. An aeroelastic wind-tunnel experiment is an order of magnitude more expensive than a parallel experiment involving only aerodynamics. By complementing the wind-tunnel experiments with numerical simulations the overall cost of the development of aircraft can be considerably reduced. In order to accurately compute aeroelastic phenomenon it is necessary to solve the unsteady Euler/Navier-Stokes equations simultaneously with the structural equations of motion. These equations accurately describe the flow phenomena for aeroelastic applications. At Ames a code, ENSAERO, is being developed for computing the unsteady aerodynamics and aeroelasticity of aircraft and it solves the Euler/Navier-Stokes equations. The purpose of this contract is to continue the algorithm enhancements of ENSAERO and to apply the code to complicated geometries. During the last year, the geometric capability of the code was extended to simulate transonic flows, a wing with oscillating control surface. Single-grid and zonal approaches were tested. For the zonal approach, a new interpolation technique was introduced. The key development of the algorithm was an interface treatment between moving zones for a control surface using the virtual-zone concept. The work performed during the period, 1 Apr. 1992 through 31 Mar. 1993 is summarized. Additional details on the various aspects of the study are given in the Appendices.

Obayashi, Shigeru↗

DOE OSTI2022

A weighted state redistribution algorithm for embedded boundary grids

State redistribution is an algorithm that stabilizes cut cells for embedded boundary grid methods. This work extends the earlier algorithm in several important ways. First, state redistribution is extended to three spatial dimensions. Second, we discuss several algorithmic changes and improvements motivated by the more complicated cut cell geometries that can occur in higher dimensions. In particular, we introduce a weighted version with less dissipation in an easily generalizable framework. Third, we demonstrate that state redistribution can also stabilize a solution update that includes both advective and diffusive contributions. Notably, the stabilization algorithm is shown to be effective for incompressible as well as compressible reacting flows. Finally, we discuss the implementation of the algorithm for several exascale-ready simulation codes based on AMReX, demonstrating ease of use in combination with domain decomposition, hybrid parallelism and complex physics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Development of a New Fixed-source Sensitivity Tally Capability in the MCNP ® Code [Slides]

Current work includes FSEN capability development, continued verification of adjoint-weighted sensitivity method, and improvement of algorithm speed and parallelism capability. Future work is forecasted to include extensions to non-Boltzmann responses, adding more responses and particle types, and connection to new MCNP6.3 tally backend.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

Classical spin glass system in external field with taking into account relaxation effects

We study statistical properties of disordered spin systems under the influence of an external field with taking into account relaxation effects. For description of system the spatial 1D Heisenberg spin-glass Hamiltonian is used. In addition, we suppose that interactions occur between nearest-neighboring spins and they are random. Exact solutions which define angular configuration of the spin in nodes were obtained from the equations of stationary points of Hamiltonian and the corresponding conditions for the energy local minimum. On the basis of these recurrent solutions an effective parallel algorithm is developed for simulation of stabile spin-chains of an arbitrary length. It is shown that by way of an independent order of N{sup 2} numerical simulations (where N is number of spin in each chain) it is possible to generate ensemble of spin-chains, which is completely ergodic which is equivalent to full self-averaging of spin-chains' vector polarization. Distributions of different parameters (energy, average polarization by coordinates, and spin-spin interaction constant) of unperturbed system are calculated. In particular, analytically is proved and numerically is shown, that for the Heisenberg nearest-neighboring Hamiltonian model, the distribution of spin-spin interaction constants as opposed to widely used Gauss-Edwards-Anderson distribution satisfies Levy alpha-stable distribution law. This distribution is nonanalytic function and does not have variance. In the work we have in detail studied critical properties of an ensemble depending on value of external field parameters (from amplitude and frequency) and have shown that even at weak external fields the spin-glass systemis strongly frustrated. It is shown that frustrations have fractal behavior, they are selfsimilar and do not disappear at scale decreasing of area. By the numerical computation is shown that the average polarization of spin-glass on a different coordinates can have values which can lead to catastrophes in the equation ofClausius-Mossotti for dielectric constant. In other words, for some values of external field parameter, a critical phenomenon occurs in the system which is impossible to describe by the real-valued Heisenberg spin-glass Hamiltonian. For the solution of this problem at first the complex-valued disordered Hamiltonian is used. Physically this type of extension of Hamiltonian allows to consider relaxation effects which occur in the system under the influence of an external field. On the basis of developed approach an effective parallel algorithm is developed for simulation of statistic parameters of spin-glass system under the influence of an external field.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

SU-E-T-37: A GPU-Based Pencil Beam Algorithm for Dose Calculations in Proton Radiation Therapy

Purpose: Recent developments in radiation therapy have been focused on applications of charged particles, especially protons. Over the years several dose calculation methods have been proposed in proton therapy. A common characteristic of all these methods is their extensive computational burden. In the current study we present for the first time, to our best knowledge, a GPU-based PBA for proton dose calculations in Matlab. Methods: In the current study we employed an analytical expression for the protons depth dose distribution. The central-axis term is taken from the broad-beam central-axis depth dose in water modified by an inverse square correction while the distribution of the off-axis term was considered Gaussian. The serial code was implemented in MATLAB and was launched on a desktop with a quad core Intel Xeon X5550 at 2.67GHz with 8 GB of RAM. For the parallelization on the GPU, the parallel computing toolbox was employed and the code was launched on a GTX 770 with Kepler architecture. The performance comparison was established on the speedup factors. Results: The performance of the GPU code was evaluated for three different energies: low (50 MeV), medium (100 MeV) and high (150 MeV). Four square fields were selected for each energy, and the dose calculations were performed with both the serial and parallel codes for a homogeneous water phantom with size 300×300×300 mm3. The resolution of the PBs was set to 1.0 mm. The maximum speedup of ∼127 was achieved for the highest energy and the largest field size. Conclusion: A GPU-based PB algorithm for proton dose calculations in Matlab was presented. A maximum speedup of ∼127 was achieved. Future directions of the current work include extension of our method for dose calculation in heterogeneous phantoms.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Compressing unstructured mesh data from simulations using machine learning

The amount of data output from a computer simulation has grown to terabytes and petabytes as increasingly complex simulations are being run on massively parallel systems. As we approach exaflop computing in the next decade, it is expected that the I/O subsystem will not be able to write out these large volumes of data. In this paper, we explore the use of machine learning to compress the data before it is written out. Despite the computational constraints that limit us to using very simple learning algorithms, our results show that machine learning is a viable option for compressing unstructured data. Furthermore, we demonstrate that by simply using a better sampling algorithm to generate the training set, we can obtain more accurate results compared to random sampling, but at no extra cost. Further, by carefully selecting and incorporating points with high prediction error, we can improve reconstruction accuracy without sacrificing the compression rate.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Exploring the interplay of resilience and energy consumption for a task-based partial differential equations preconditioner

Here, we discuss algorithm-based resilience to silent data corruptions (SDCs) in a task-based domain-decomposition preconditioner for partial differential equations (PDEs). The algorithm exploits a reformulation of the PDE as a sampling problem, followed by a solution update through data manipulation that is resilient to SDCs. The implementation is based on a server-client model where all state information is held by the servers, while clients are designed solely as computational units. Scalability tests run up to ~51K cores show a parallel efficiency greater than 90%. We use a 2D elliptic PDE and a fault model based on random single and double bit-flip to demonstrate the resilience of the application to synthetically injected SDC. We discuss two fault scenarios: one based on the corruption of all data of a target task, and the other involving the corruption of a single data point. We show that for our application, given the test problem considered, a four-fold increase in the number of faults only yields a 2% change in the overhead to overcome their presence, from 7% to 9%. We then discuss potential savings in energy consumption via dynamic voltage/frequency scaling, and its interplay with fault-rates, and application overhead.

97 MATHEMATICS AND COMPUTING↗