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An HDF5-based file format was introduced for the sensitivity data calculated by TSUNAMI. The format was defined to collect the sensitivity coefficients into hyperslabs, which optimizes file reading time and therefore improves the time-to-solution for applications. In future work, this format will be extended to store sensitivity data for depletion calculations.
Conventional digital computing faces fundamental physical limits: large scale computing systems already con sume tens of Megawatts of power, Dennard scaling has ended, and data movement costs dominate application performance. Next generation experimental facilities generate data at rates that overwhelm conventional pro cessing and demand real-time analysis at the source. Analog computing, which exploits the continuous dynamics of physical systems to perform computation, promises a transformative path toward orders-of-magnitude gains in energy efficiency and time-to-solution for scientific workloads.
This report is in support of the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program sponsored by the U.S. Department of Energy (USDOE). With INCITE-level resources, one project, titled BubblyFlow, was granted computational resources for the 2025 calendar year on the Polaris supercomputer at the Argonne Leadership Computing Facility (ALCF). The project aims to conduct simulations to understand the fundamental characteristics of turbulent bubbly flow phenomena in nature. Staff at the ALCF and Argonne’s Computational Science division, along with collaborators at the City College of New York and University of Illinois at Chicago, helped a summer student to assess the accuracy and performance of two high performance computing (HPC) codes. Both codes, ImExLBM and FluTAS, are fundamentally different in their mathematical and numerical modeling. However, both may be used to solve the same physical problem. The collaboration sought to better understand the differences between both codes in terms of accuracy and efficiency. This would ultimately help the BubblyFlow project better utilize resources and establish a knowledge-base of code capabilities in future simulation campaigns. We compare ImExLBM and FluTAS, two high-performance multiphase computational fluid dynamics (CFD) solvers, in terms of physical fidelity, time-to-solution, and parallel efficiency. We validate ImExLBM (Implicit-Explicit Lattice Boltzmann Method) against a canonical benchmark and assess it’s performance relative to FluTAS (Fluid Transport Accelerated Solver), a well-established open-source CFD code.
The authors explore performance scalability of the open-source thermal-fluids code, NekRS, on the U.S. Department of Energy's leadership computers, Crusher, Frontier, Summit, Perlmutter, and Polaris. Particular attention is given to analyzing performance and time-to-solution at the strong-scale limit for a target efficiency of 80%, which is typical for production runs on the DOE's high-performance computing systems. Several examples of anomalous behavior are also discussed and analyzed.
Abstract. In this paper we introduce a new software framework for the offline calculation of tracer transport in the ocean. The Fast Equilibration of Ocean Tracers Software (FEOTS) is an end-to-end set of tools to efficiently calculate tracer distributions on a global or regional sub-domain using transport operators diagnosed from a comprehensive ocean model. To the best of our knowledge, this is the first application of a transport matrix model to an eddying ocean state. While a Newton–Krylov-based equilibration capability is still under development and not presented here, we demonstrate in this paper the transient modeling capabilities of FEOTS in an application focused on the Argentine Basin, where intense eddy activity and the Zapiola Anticyclone lead to strong mixing of water masses. The demonstration illustrates progress in developing offline passive tracer simulation capabilities, while highlighting the challenges of the impulse response functions approach in capturing tracer transports by a non-linear advection scheme. Our future work will focus on improving the computational efficiency of the code to reduce time-to-solution, using different basis functions to better represent non-linear advection operators, applying FEOTS to a parent model with unstructured grids (Ocean Model for Prediction Across Scales, MPAS-Ocean), and fully implementing a Newton–Krylov steady-state solver.
To be competitive on the today's market, cars have to be as light as possible while meeting the Noise, Vibration, and Harshness (NVH) requirements and conforming to Government-man dated crash survival regulations. The latter are difficult to meet because they involve very compute-intensive, nonlinear analysis, e.g., the code RADIOSS capable of simulation of the dynamics, and the geometrical and material nonlinearities of a thin-walled car structure in crash, would require over 12 days of elapsed time for a single design of a 390K elastic degrees of freedom model, if executed on a single processor of the state-of-the-art SGI Origin2000 computer. Of course, in optimization that crash analysis would have to be invoked many times. Needless to say, that has rendered such optimization intractable until now. The car finite element model is shown. The advent of computers that comprise large numbers of concurrently operating processors has created a new environment wherein the above optimization, and other engineering problems heretofore regarded as intractable may be solved. The procedure, shown, is a piecewise approximation based method and involves using a sensitivity based Taylor series approximation model for NVH and a polynomial response surface model for Crash. In that method the NVH constraints are evaluated using a finite element code (MSC/NASTRAN) that yields the constraint values and their derivatives with respect to design variables. The crash constraints are evaluated using the explicit code RADIOSS on the Origin 2000 operating on 256 processors simultaneously to generate data for a polynomial response surface in the design variable domain. The NVH constraints and their derivatives combined with the response surface for the crash constraints form an approximation to the system analysis (surrogate analysis) that enables a cycle of multidisciplinary optimization within move limits. In the inner loop, the NVH sensitivities are recomputed to update the NVH approximation model while keeping the Crash response surface constant. In every outer loop, the Crash response surface approximation is updated, including a gradual increase in the order of the response surface and the response surface extension in the direction of the search. In this optimization task, the NVH discipline has 30 design variables while the crash discipline has 20 design variables. A subset of these design variables (10) are common to both the NVH and crash disciplines. In order to construct a linear response surface for the Crash discipline constraints, a minimum of 21 design points would have to be analyzed using the RADIOSS code. On a single processor in Origin 2000 that amount of computing would require over 9 months! In this work, these runs were carried out concurrently on the Origin 2000 using multiple processors, ranging from 8 to 16, for each crash (RADIOSS) analysis. Another figure shows the wall time required for a single RADIOSS analysis using varying number of processors, as well as provides a comparison of 2 different common data placement procedures within the allotted memories for each analysis. The initial design is an infeasible design with NVH discipline Static Torsion constraint violations of over 10%. The final optimized design is a feasible design with a weight reduction of 15 kg compared to the initial design. This work demonstrates how advanced methodology for optimization combined with the technology of concurrent processing enables applications that until now were out of reach because of very long time-to-solution.
The overset grid methodology has significantly reduced time-to-solution of high-fidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process resolves the geometrical complexity of the problem domain by using separately generated but overlapping structured discretization grids that periodically exchange information through interpolation. However, high performance computations of such large-scale realistic applications must be handled efficiently on state-of-the-art parallel supercomputers. This paper analyzes the effects of various performance enhancement techniques on the parallel efficiency of an overset grid Navier-Stokes CFD application running on an SGI Origin2000 machine. Specifically, the role of asynchronous communication, grid splitting, and grid grouping strategies are presented and discussed. Results indicate that performance depends critically on the level of latency hiding and the quality of load balancing across the processors.
The Harrier YAV-8B aircraft is capable of vertical and short-field take-off and landing (V/STOL) by directing its four exhaust nozzles toward the ground, or conventional flight by rotating its nozzles into a horizontal position. The British Royal Air Force and the United States Marine Corps have used this aircraft for more than 30 years to provide a quick reaction time for troop support, and reduce the need for long runways. The success of this powered-lift (PL) vehicle has also prompted the more recent design of the Joint Strike Fighter (JSF). However there are significant safety issues that must be addressed when operating a PL vehicle in close proximity to the ground. Hot Gas Ingestion (HGI) by the inlets can result in a rapid loss of powered lift; and high-speed jet flows along the ground plane can induce low pressures underneath the vehicle, causing a 'suck-down' effect. Under these conditions, departure from controlled flight may occur. Moreover, unsteady ground vortices and jet fountains can affect the aircraft,s controllability and its proximity to ground troops. The viscous, time-dependent flow fields of PL vehicles are difficult to accurately and efficiently predict using Computational Fluid Dynamics (CFD). A number of researchers have used the time-dependent Reynolds-averaged Navier-Stokes (RANS) equations to compute flows for single and multiple jets in a cross-flow. A few have added some geometric complexity to the problem by computing flows for jet-augmented delta wings near a ground plane. Smith et.al. computed for the first time a single RANS solution about a simplified Harrier. This geometry included a fuselage, wing, leading edge root extension (LERX), inlets, and exhaust nozzles. All of these investigations cite two practical problems with computing these flows: 1) the need for improved solution accuracy; and, 2) the need for faster solution methods. We view the need for faster solution methods as key to improving the solution accuracy and making this class of computation more routine. One can hardly refine grids, explore the use of advanced turbulence models, and generate databases when it takes weeks of dedicated computer time for a single solution. Chaderjian, Ahmad, Pandya, and Murman have focused on reducing the time-to-solution for this very difficult and complex problem through process automation and exploitation of parallel computing. They began with the Harrier geometry reported, and added a deflected wing flap and empennage for greater realism. To date more than 80 solutions have been carried out. This paper will describe this process and progress made in reducing the time required to generate a simple longitudinal force and moment database for a Harrier in ground effect. It shows a typical snap-shot from an unsteady streakline animation, where fluid particles are colored by temperature. The ground vortex and a jet-fountain vortex are highlighted. It also shows a similar streakline image, where HGI occurs due to the vehicle in close proximity to the ground. It is show the mean lift coefficient as a function of angle of attack and height. The angle of attack range was 4 deg less than or = alpha less than or = 10 deg with an increment of 1 degree, and the height range was 10 ft less than or = h less than or = 30ft with an increment of 5 feet. This 35 solution database was extended to over 2500 cases using a monotone cubic-spline interpolation procedure. The suck-down effect (reduction of lift near the ground) is highlighted in the figure. The "cushion effect," the conventional reduction of lift as the vehicle moves out of ground effect, is also indicated. All 35 RANS solutions were obtained using 952 Silicon Graphics Origin 2000 and 3000 processors in dedicated mode for one week. Typically, 112 processors were assigned to each case. Some other cases used fewer processors to utilize all available CPUS. The final paper will report on the automation of the solution process, including: grid generation, job monitoring, solution completion criteria, and post processing. Moreover, improvements in parallel efficiency for a dual time-step algorithm for the RANS equations will also be presented. Results will be discussed in detail using unsteady streakline flow visualization to correlate unsteady flow structures with dominant aerodynamic frequencies. The stability derivatives, CL, and CL, will also be presented.
The overset grid methodology has significantly reduced time-to-solution of highfidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process resolves the geometrical complexity of the problem domain by using separately generated but overlapping structured discretization grids that periodically exchange information through interpolation. However, high performance computations of such large-scale realistic applications must be handled efficiently on state-of-the-art parallel supercomputers. This paper analyzes the effects of various performance enhancement strategies on the parallel efficiency of an overset grid Navier-Stokes CFD application running on an SGI Origin2000 machinc. Specifically, the role of asynchronous communication, grid splitting, and grid grouping strategies are presented and discussed. Details of a sophisticated graph partitioning technique for grid grouping are also provided. Results indicate that performance depends critically on the level of latency hiding and the quality of load balancing across the processors.
The Goddard Earth Observing System (GEOS) model at NASA's Global Modeling and Assimilation Office (GMAO) is used to simulate the multi-scale variability of the Earth's weather and climate, and is used primarily to assimilate conventional and satellite-based observations for weather forecasting and reanalysis. In addition, assimilations coupled to an ocean model are used for longer-term forecasting (e.g., El Nino) on seasonal to interannual times-scales. The GMAO's research activities, including system development, focus on numerous time and space scales, as detailed on the GMAO website, where they are tabbed under five major themes: Weather Analysis and Prediction; Seasonal-Decadal Analysis and Prediction; Reanalysis; Global Mesoscale Modeling, and Observing System Science. A brief description of the GEOS systems can also be found at the GMAO website. GEOS executes as a collection of earth system components connected through the Earth System Modeling Framework (ESMF). The ESMF layer is supplemented with the MAPL (Modeling, Analysis, and Prediction Layer) software toolkit developed at the GMAO, which facilitates the organization of the computational components into a hierarchical architecture. GEOS systems run in parallel using a horizontal decomposition of the Earth's sphere into processing elements (PEs). Communication between PEs is primarily through a message passing framework, using the message passing interface (MPI), and through explicit use of node-level shared memory access via the SHMEM (Symmetric Hierarchical Memory access) protocol. Production GEOS weather prediction systems currently run at 12.5-kilometer horizontal resolution with 72 vertical levels decomposed into PEs associated with 5,400 MPI processes. Research GEOS systems run at resolutions as fine as 1.5 kilometers globally using as many as 30,000 MPI processes. Looking forward, these systems can be expected to see a 2 times increase in horizontal resolution every two to three years, as well as less frequent increases in vertical resolution. Coupling these resolution changes with increases in complexity, the computational demands on the GEOS production and research systems should easily increase 100-fold over the next five years. Currently, our 12.5 kilometer weather prediction system narrowly meets the time-to-solution demands of a near-real-time production system. Work is now in progress to take advantage of a hybrid MPI-OpenMP parallelism strategy, in an attempt to achieve a modest two-fold speed-up to accommodate an immediate demand due to increased scientific complexity and an increase in vertical resolution. Pursuing demands that require a 10- to 100-fold increases or more, however, would require a detailed exploration of the computational profile of GEOS, as well as targeted solutions using more advanced high-performance computing technologies. Increased computing demands of 100-fold will be required within five years based on anticipated changes in the GEOS production systems, increases of 1000-fold can be anticipated over the next ten years.
Lattice Boltzmann (LB) and compressible Navier-Stokes (NS) equations based computational fluid dynamics (CFD) approaches are compared for simulating airframe noise. Both LB and NS CFD approaches are implemented within the Launch Ascent and Vehicle Aerodynamics (LAVA) framework. Both schemes utilize the same underlying Cartesian structured mesh paradigm with provision for local adaptive grid refinement and sub-cycling in time. We choose a prototypical massively separated, wake-dominated flow ideally suited for Cartesian-grid based approaches in this study - The partially-dressed, cavity-closed nose landing gear (PDCC-NLG) noise problem from AIAA's Benchmark problems for Airframe Noise Computations (BANC) series of workshops. The relative accuracy and computational efficiency of the two approaches are systematically compared. Detailed comments are made on the potential held by LB to significantly reduce time-to-solution for a desired level of accuracy within the context of modeling airframes noise from first principles.
This work addresses preconditioning approaches for an implicit high-order solver frame-work applied to multiple physics. The solver is based on a space-time spectral element method and matrix-free Newton-Krylov solver developed at NASA over the recent years. Within this context, most preconditioning methods are impractical, as the computational time and memory requirements scale poorly with increasing polynomial orders. To improve computational efficiency, we first describe a novel entity-based Block Jacobi preconditioner for the continuous-Galerkin solution of the linear-elasticity and linear-shell equations. Second, we introduce a multigrid algorithm to further reduce time-to-solution on stiff cases arising from continuous-and discontinuous-Galerkin discretizations. Results obtained on relevant single-physics reference solutions, demonstrate the feasibility of the methods, paving the way for high-order solutions of fully coupled multi-physics problems.
The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.
The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.
In an in transit setting, a parallel data producer, such as a numerical simulation, runs on one set of ranks M, while a data consumer, such as a parallel visualization application, runs on a different set of ranks N. One of the central challenges in this in transit setting is to determine the mapping of data from the set of M producer ranks to the set of N consumer ranks. This is a challenging problem for several reasons, such as the producer and consumer codes potentially having different scaling characteristics and different data models. The resulting mapping from M to N ranks can have a significant impact on aggregate application performance. In this work, we present an approach for performing this M-to-N mapping in a way that has broad applicability across a diversity of data producer and consumer applications. We evaluate its design and performance with a study that runs at high concurrency on a modern HPC platform. By leveraging design characteristics, which facilitate an “intelligent” mapping from M-to-N, we observe significant performance gains are possible in terms of several different metrics, including time-to-solution and amount of data moved.
In an in transit setting, a parallel data producer, such as a numerical simulation, runs on one set of ranks M, while a data consumer, such as a parallel visualization application, runs on a different set of ranks N: One of the central challenges in this in transit setting is to determine the mapping of data from the set of M producer ranks to the set of N consumer ranks. This is a challenging problem for several reasons, such as the producer and consumer codes potentially having different scaling characteristics and different data models. The resulting mapping from M to N ranks can have a significant impact on aggregate application performance. In this work, we present an approach for performing this M-to-N mapping in a way that has broad applicability across a diversity of data producer and consumer applications. We evaluate its design and performance with a study that runs at high concurrency on a modern HPC platform. By leveraging design characteristics, which facilitate an ''intelligent'' mapping from M-to-N, we observe significant performance gains are possible in terms of several different metrics, including time-to-solution and amount of data moved.
While cycle-accurate simulators are essential tools for architecture research, design, and development, their practicality is limited by an extremely long time-to-solution for realistic applications under investigation. This work describes a concerted effort, where machine learning (ML) is used to accelerate microarchitecture simulation. First, an ML-based instruction latency prediction framework that accounts for both static instruction properties and dynamic processor states is constructed. Then, a GPU-accelerated parallel simulator is implemented based on the proposed instruction latency predictor, and its simulation accuracy and throughput are validated and evaluated against a state-of-the-art simulator. Leveraging modern GPUs, the ML-based simulator outperforms traditional CPU-based simulators significantly.
We are interested in benchmarking both quantum annealing and classical algorithms for minimizing quadratic unconstrained binary optimization (QUBO) problems. Such problems are NP-hard in general, implying that the exact minima of randomly generated instances are hard to find and thus typically unknown. While brute forcing smaller instances is possible, such instances are typically not interesting due to being too easy for both quantum and classical algorithms. In this contribution, we propose a novel method, called posiform planting , for generating random QUBO instances of arbitrary size with known optimal solutions, and use those instances to benchmark the sampling quality of four D-Wave quantum annealers utilizing different interconnection structures (Chimera, Pegasus, and Zephyr hardware graphs) and the simulated annealing algorithm. Posiform planting differs from many existing methods in two key ways. It ensures the uniqueness of the planted optimal solution, thus avoiding groundstate degeneracy, and it enables the generation of QUBOs that are tailored to a given hardware connectivity structure, provided that the connectivity is not too sparse. Posiform planted QUBOs are a type of 2-SAT boolean satisfiability combinatorial optimization problems. Our experiments demonstrate the capability of the D-Wave quantum annealers to sample the optimal planted solution of combinatorial optimization problems with up to 5, 627 qubits.