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At least 1,369 records · Page 76

Performance-Aligned LLMs for Generating Fast HPC Code

Optimizing scientific software is a difficult task because codebases are often large and complex, and performance can depend upon several factors including the algorithm, its implementation, and hardware among others. Causes of poor performance can originate from disparate sources and be difficult to diagnose. Recent years have seen a multitude of work that use large language models (LLMs) to assist in software development tasks. However, these tools are trained to model the distribution of code as text, and are not specifically designed to understand performance aspects of code. In this work, we introduce a reinforcement learning based methodology to align the outputs of code LLMs with performance. This allows us to build upon the current code modeling capabilities of LLMs and extend them to generate better performing code. Here, we demonstrate that our fine-tuned model improves the expected speedup of generated code over base models for a set of benchmark tasks from 0.9 to 1.6 for serial code and 1.9 to 4.5 for OpenMP parallel code.

Computer science↗

An engineering approach to automatic programming

An exploratory study of the automatic generation and optimization of symbolic programs using DECOM - a prototypical requirement specification model implemented in pure LISP was undertaken. It was concluded, on the basis of this study, that symbolic processing languages such as LISP can support a style of programming based upon formal transformation and dependent upon the expression of constraints in an object-oriented environment. Such languages can represent all aspects of the software generation process (including heuristic algorithms for effecting parallel search) as dynamic processes since data and program are represented in a uniform format.

Rubin, Stuart H.↗

Turnaround Time Modeling for Conceptual Rocket Engines

Recent years have brought about a paradigm shift within NASA and the Space Launch Community regarding the performance of conceptual design. Reliability, maintainability, supportability, and operability are no longer effects of design; they have moved to the forefront and are affecting design. A primary focus of this shift has been a planned decrease in vehicle turnaround time. Potentials for instituting this decrease include attacking the issues of removing, refurbishing, and replacing the engines after each flight. less, it is important to understand the operational affects of an engine on turnaround time, ground support personnel and equipment. One tool for visualizing this relationship involves the creation of a Discrete Event Simulation (DES). A DES model can be used to run a series of trade studies to determine if the engine is meeting its requirements, and, if not, what can be altered to bring it into compliance. Using DES, it is possible to look at the ways in which labor requirements, parallel maintenance versus serial maintenance, and maintenance scheduling affect the overall turnaround time. A detailed DES model of the Space Shuttle Main Engines (SSME) has been developed. Trades may be performed using the SSME Processing Model to see where maintenance bottlenecks occur, what the benefits (if any) are of increasing the numbers of personnel, or the number and location of facilities, in addition to trades previously mentioned, all with the goal of optimizing the operational turnaround time and minimizing operational cost. The SSME Processing Model was developed in such a way that it can easily be used as a foundation for developing DES models of other operational or developmental reusable engines. Performing a DES on a developmental engine during the conceptual phase makes it easier to affect the design and make changes to bring about a decrease in turnaround time and costs.

Nix, Michael↗

Programming approaches for scalability, performance, and portability of combustion physics codes

Here, this paper presents the process, strategy, and results associated with porting a typical combustion physics flow solver to current state-of-the-art and future massively-parallel computer architectures. Major focus is placed on the distinct algorithmic structure of these types of codes and how it can be integrated with modern programming paradigms for heterogeneous platforms (i.e., distributed many-core systems with accelerators). An end-to-end case study is presented that exemplifies the process in a generic manner, which then serves as a clear guide with respect to the strategy and best practices leading to a robust and adaptable framework that performs well, is durable over time, is portable, and requires minimal human-effort. This end is accomplished beginning with the use of a mature, validated, structured, multiblock code framework optimized for application of both Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS). This code has been ported to a variety of platforms over the past decade, including most recently the Oak Ridge Leadership Computing Facility’s “Summit” Platform. The experience gained on these multiple platforms provides general insights and thus the results presented are not specific to any one code or platform other than the overarching trend toward distributed many-core systems with accelerators in order to move toward exascale performance. The resultant performance and scalability of the ported code is demonstrated on a real-world application; a state-of-the-art rotating detonation rocket engine simulation that matches the complex geometry and boundary conditions imposed as part of a companion experimental campaign.

97 MATHEMATICS AND COMPUTING↗

Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies

Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. In addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.

30 DIRECT ENERGY CONVERSION↗

Time optimal feedback control of discrete systems with bounded inputs

Deadbeat control theory gives a feedback solution to the time optimal control of discrete time systems. Experience has shown the results to be impractical because they ignore bounds on the actuator strength. This paper develops two algorithms for generating time optimal control in feedback form for discrete systems with bounded controls. The results are also applicable for generating recovery regions and the set of reachable states. For multiple control problems a method of generating sublayers is developed which decreases off-line and on-line computational effort. Two algorithms are presented with somewhat different computational and storage requirements. The algorithms are practical within certain dimension constraints, and are natural for implementation with parallel processing.

Chen, Xin↗

Global Load Balancing with Parallel Mesh Adaption on Distributed-Memory Systems

Dynamic mesh adaption on unstructured grids is a powerful tool for efficiently computing unsteady problems to resolve solution features of interest. Unfortunately, this causes load imbalance among processors on a parallel machine. This paper describes the parallel implementation of a tetrahedral mesh adaption scheme and a new global load balancing method. A heuristic remapping algorithm is presented that assigns partitions to processors such that the redistribution cost is minimized. Results indicate that the parallel performance of the mesh adaption code depends on the nature of the adaption region and show a 35.5X speedup on 64 processors of an SP2 when 35% of the mesh is randomly adapted. For large-scale scientific computations, our load balancing strategy gives almost a sixfold reduction in solver execution times over non-balanced loads. Furthermore, our heuristic remapper yields processor assignments that are less than 3% off the optimal solutions but requires only 1% of the computational time.

Biswas, Rupak↗

A Microfabricated Involute-Foil Regenerator for Stirling Engines

A segmented involute-foil regenerator has been designed, microfabricated and tested in an oscillating-flow rig with excellent results. During the Phase I effort, several approximations of parallel-plate regenerator geometry were chosen as potential candidates for a new microfabrication concept. Potential manufacturers and processes were surveyed. The selected concept consisted of stacked segmented-involute-foil disks (or annular portions of disks), originally to be microfabricated from stainless-steel via the LiGA (lithography, electroplating, and molding) process and EDM (electric discharge machining). During Phase II, re-planning of the effort led to test plans based on nickel disks, microfabricated via the LiGA process, only. A stack of nickel segmented-involute-foil disks was tested in an oscillating-flow test rig. These test results yielded a performance figure of merit (roughly the ratio of heat transfer to pressure drop) of about twice that of the 90% random fiber currently used in small ~ 100 W Stirling space-power convertors in the Reynolds Number range of interest (50-100). A Phase III effort is now underway to fabricate and test a segmented-involute-foil regenerator in a Stirling convertor. Though funding limitations prevent optimization of the Stirling engine geometry for use with this regenerator, the Sage computer code will be used to help evaluate the engine test results. Previous Sage Stirling model projections have indicated that a segmented-involute-foil regenerator is capable of improving the performance of an optimized involute-foil engine by 6-9%; it is also anticipated that such involute-foil geometries will be more reliable and easier to manufacture with tight-tolerance characteristics, than random-fiber or wire-screen regenerators. Beyond the near-term Phase III regenerator fabrication and engine testing, other goals are (1) fabrication from a material suitable for high temperature Stirling operation (up to 850 C for current engines; up to 1200 C for a potential engine-cooler for a Venus mission), and (2) reduction of the cost of the fabrication process to make it more suitable for terrestrial applications of segmented involute foils. Past attempts have been made to use wrapped foils to approximate the large theoretical figures of merit projected for parallel plates. Such metal wrapped foils have never proved very successful, apparently due to the difficulties of fabricating wrapped-foils with uniform gaps and maintaining the gaps under the stress of time-varying temperature gradients during start-up and shut-down, and relatively-steady temperature gradients during normal operation. In contrast, stacks of involute-foil disks, with each disk consisting of multiple involute-foil segments held between concentric circular ribs, have relatively robust structures. The oscillating-flow rig tests of the segmented-involute-foil regenerator have demonstrated a shift in regenerator performance strongly in the direction of the theoretical performance of ideal parallel-plate regenerators.

Tew, Roy↗

Performance Analysis and Optimal Node-aware Communication for Enlarged Conjugate Gradient Methods

Krylov methods are a key way of solving large sparse linear systems of equations but suffer from poor strong scalability on distributed memory machines. Furthermore, this is due to high synchronization costs from large numbers of collective communication calls alongside a low computational workload. Enlarged Krylov methods address this issue by decreasing the total iterations to convergence, an artifact of splitting the initial residual and resulting in operations on block vectors. In this article, we present a performance study of an enlarged Krylov method, Enlarged Conjugate Gradients (ECG), noting the impact of block vectors on parallel performance at scale. Most notably, we observe the increased overhead of point-to-point communication as a result of denser messages in the sparse matrix-block vector multiplication kernel. Additionally, we present models to analyze expected performance of ECG, as well as motivate design decisions. Most importantly, we introduce a new point-to-point communication approach based on node-aware communication techniques that increases efficiency of the method at scale.

97 MATHEMATICS AND COMPUTING↗

A Microfabricated Involute-Foil Regenerator for Stirling Engines

A segmented involute-foil regenerator has been designed, microfabricated and tested in an oscillating-flow rig with excellent results. During the Phase I effort, several approximations of parallel-plate regenerator geometry were chosen as potential candidates for a new microfabrication concept. Potential manufacturers and processes were surveyed. The selected concept consisted of stacked segmented-involute-foil disks (or annular portions of disks), originally to be microfabricated from stainless-steel via the LiGA (lithography, electroplating, and molding) process and EDM. During Phase II, re-planning of the effort led to test plans based on nickel disks, microfabricated via the LiGA process, only. A stack of nickel segmented-involute-foil disks was tested in an oscillating-flow test rig. These test results yielded a performance figure of merit (roughly the ratio of heat transfer to pressure drop) of about twice that of the 90 percent random fiber currently used in small approx.100 W Stirling space-power convertors-in the Reynolds Number range of interest (50 to 100). A Phase III effort is now underway to fabricate and test a segmented-involute-foil regenerator in a Stirling convertor. Though funding limitations prevent optimization of the Stirling engine geometry for use with this regenerator, the Sage computer code will be used to help evaluate the engine test results. Previous Sage Stirling model projections have indicated that a segmented-involute-foil regenerator is capable of improving the performance of an optimized involute-foil engine by 6 to 9 percent; it is also anticipated that such involute-foil geometries will be more reliable and easier to manufacture with tight-tolerance characteristics, than random-fiber or wire-screen regenerators. Beyond the near-term Phase III regenerator fabrication and engine testing, other goals are (1) fabrication from a material suitable for high temperature Stirling operation (up to 850 C for current engines; up to 1200 C for a potential engine-cooler for a Venus mission), and (2) reduction of the cost of the fabrication process to make it more suitable for terrestrial applications of segmented involute foils. Past attempts have been made to use wrapped foils to approximate the large theoretical figures of merit projected for parallel plates. Such metal wrapped foils have never proved very successful, apparently due to the difficulties of fabricating wrapped-foils with uniform gaps and maintaining the gaps under the stress of time-varying temperature gradients during start-up and shut-down, and relatively-steady temperature gradients during normal operation. In contrast, stacks of involute-foil disks, with each disk consisting of multiple involute-foil segments held between concentric circular ribs, have relatively robust structures. The oscillating-flow rig tests of the segmented-involute-foil regenerator have demonstrated a shift in regenerator performance strongly in the direction of the theoretical performance of ideal parallel-plate regenerators.

Tew, Roy↗

PETSc TSAdjoint: A Discrete Adjoint ODE Solver for First-Order and Second-Order Sensitivity Analysis

Here, we present a new software system PETSc TSAdjoint for first-order and second order adjoint sensitivity analysis of time-dependent nonlinear differential equations. The derivative calculation in PETSc TSAdjoint is essentially a high-level algorithmic differentiation process. The adjoint models are derived by differentiating the timestepping algorithms and implementing them based on the parallel infrastructure in PETSc. Full differentiation of the library code, including MPI routines, is avoided, and users do not need to derive their own adjoint models for their specific applications. PETSc TSAdjoint can compute the first-order derivative, that is, the gradient of a scalar functional, and the Hessian-vector product, which carries second-order derivative information, while requiring minimal input (a few callbacks) from the users. The adjoint model employs optimal checkpointing schemes in a manner that is transparent to users. Finally, usability, efficiency, and scalability are demonstrated through examples from a variety of applications.

79 ASTRONOMY AND ASTROPHYSICS↗

Concurrent and vectorized mixed time, explicit nonlinear structural dynamics algorithms

A nonlinear structural dynamics program with an element library that exploits parallel processing is described. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program with explicit time integration and different time steps in different parts of the mesh. The program uses an element group scheme, which, as a by-product, also provides an automatic scheme for assigning different time steps to different parts of the mesh. The program has been tested on the Alliant FX/8; it shows a fivefold improvement in speed over compiler optimization.

Belytschko, Ted↗

Vibratory tactile display for textures

We have developed a tactile display that produces vibratory stimulus to a fingertip in contact with a vibrating tactor matrix. The display depicts tactile surface textures while the user is exploring a virtual object surface. A piezoelectric actuator drives the individual tactor in accordance with both the finger movement and the surface texture being traced. Spatiotemporal display control schemes were examined for presenting the fundamental surface texture elements. The temporal duration of vibratory stimulus was experimentally optimized to simulate the adaptation process of cutaneous sensation. The selected duration time for presenting a single line edge agreed with the time threshold of tactile sensation. Then spatial stimulus disposition schemes were discussed for representation of other edge shapes. As an alternative means not relying on amplitude control, a method of augmented duration at the edge was investigated. Spatial resolution of the display was measured for the lines presented both in perpendicular and parallel to a finger axis. Discrimination of texture density was also measured on random dot textures.

Ikei, Yasushi↗

Global Load Balancing with Parallel Mesh Adaption on Distributed-Memory Systems

Dynamic mesh adaptation on unstructured grids is a powerful tool for efficiently computing unsteady problems to resolve solution features of interest. Unfortunately, this causes load inbalances among processors on a parallel machine. This paper described the parallel implementation of a tetrahedral mesh adaption scheme and a new global load balancing method. A heuristic remapping algorithm is presented that assigns partitions to processors such that the redistribution coast is minimized. Results indicate that the parallel performance of the mesh adaption code depends on the nature of the adaption region and show a 35.5X speedup on 64 processors of an SP2 when 35 percent of the mesh is randomly adapted. For large scale scientific computations, our load balancing strategy gives an almost sixfold reduction in solver execution times over non-balanced loads. Furthermore, our heuristic remappier yields processor assignments that are less than 3 percent of the optimal solutions, but requires only 1 percent of the computational time.

Biswas, Rupak↗

JET Noise Prediction

Aerodynamic noise prediction has been an important and challenging research area since James Lighthill first introduced his Acoustic Analogy Approach over fifty years ago. This talk attempts to provide a unified framework for the subsequent theoretical developments in this field. It assumes that there is no single approach that is optimal in all situations and uses the framework as a basis for discussing the strengths weaknesses of the various approaches to this topic. But the emphasis here will be on the important problem of predicting the noise from high speed air jets. Specific results will presented for round jets in the 0.5 to 1.4 Mach number range and compared with experimental data taken on the Glenn SHAR rig. It is demonstrated that non-parallel mean flow effects play an important role in predicting the noise at the supersonic Mach numbers. The results explain the failure of previous attempts based on the parallel flow Lilley model (which has served as the foundation for most jet noise analyses during past two decades).

Goldstein, M. E.↗

Discrete Adjoint-Based Design for Unsteady Turbulent Flows On Dynamic Overset Unstructured Grids

A discrete adjoint-based design methodology for unsteady turbulent flows on three-dimensional dynamic overset unstructured grids is formulated, implemented, and verified. The methodology supports both compressible and incompressible flows and is amenable to massively parallel computing environments. The approach provides a general framework for performing highly efficient and discretely consistent sensitivity analysis for problems involving arbitrary combinations of overset unstructured grids which may be static, undergoing rigid or deforming motions, or any combination thereof. General parent-child motions are also accommodated, and the accuracy of the implementation is established using an independent verification based on a complex-variable approach. The methodology is used to demonstrate aerodynamic optimizations of a wind turbine geometry, a biologically-inspired flapping wing, and a complex helicopter configuration subject to trimming constraints. The objective function for each problem is successfully reduced and all specified constraints are satisfied.

Nielsen, Eric J.↗

Comprehensive Digital Twin of a Macro-fluidic Electrochemical Reactor to Optimize the Electrochemical-based Recovery of O2 from Metabolic CO2

Future long-duration missions will require a sustainable and efficient system capable of yielding a minimum of 75% O 2 recovery from metabolic CO 2 to achieve self-sufficiency for long space missions beyond Earth's low orbit. A Macro-fluidic Electrochemical Reactor (MFECR) development effort to electrochemically recover O 2 from CO 2 is underway at NASA Marshall Space Flight Center (MSFC) to increase current O 2 recovery efficiency and reduce air revitalization (AR) system complexity at the International Space Station (ISS) habitat and future long missions. The authors have developed and deployed a digital twin of an actual single cell of the MFECR via a comprehensive 3D multiphysics model that thoroughly replicates the exact configuration and fluid/material domains of the MFECR. This model's electrochemical physics consists of multicomponent-multiphase electrochemical-driven reactions leading to CO 2 conversion to C 2 H 4 and CO along with the formation of H 2 on the cathode in parallel with the generation of O 2 and H 2 O on the anode. This electrochemical model is coupled with all the physics phenomena involved in the process, including but not limited to fluid and non-ideal mass transfer of reactant and product species in free and porous media, convective/conduction/radiative heat transfer, and conduction of DC electrical current with Joule heating generation. The digital twin has proved to be an essential tool for performing different qualitative studies, including the effect of reducing the height (increasing the respect ratio) of the serpentine walls, leading to a further redesign of the EDU (the newly redesigned MFECR EDU has been fabricated and is expected to be used in future tests), the evaluation of setting different MFECRs connected in series, and the assessment of feeding air directly to the MFECR skipping the preceding metabolic CO 2 separation from air. The MFECR's test stand is fully automated and equipped with several inline measurements (flow, pressure, temperature, pH, component concentration) systems on all six MFECR's IO streams, allowing reliable experimental validation of the model, parametric determination of all electrochemical reactions, and process optimization.

Jesus A Dominguez↗