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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.

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At least 505 records · Page 28

s-Step Krylov Subspace Methods as Bottom Solvers for Geometric Multigrid

Geometric multigrid solvers within adaptive mesh refinement (AMR) applications often reach a point where further coarsening of the grid becomes impractical as individual sub domain sizes approach unity. At this point the most common solution is to use a bottom solver, such as BiCGStab, to reduce the residual by a fixed factor at the coarsest level. Each iteration of BiCGStab requires multiple global reductions (MPI collectives). As the number of BiCGStab iterations required for convergence grows with problem size, and the time for each collective operation increases with machine scale, bottom solves in large-scale applications can constitute a significant fraction of the overall multigrid solve time. In this paper, we implement, evaluate, and optimize a communication-avoiding s-step formulation of BiCGStab (CABiCGStab for short) as a high-performance, distributed-memory bottom solver for geometric multigrid solvers. This is the first time s-step Krylov subspace methods have been leveraged to improve multigrid bottom solver performance. We use a synthetic benchmark for detailed analysis and integrate the best implementation into BoxLib in order to evaluate the benefit of a s-step Krylov subspace method on the multigrid solves found in the applications LMC and Nyx on up to 32,768 cores on the Cray XE6 at NERSC. Overall, we see bottom solver improvements of up to 4.2x on synthetic problems and up to 2.7x in real applications. This results in as much as a 1.5x improvement in solver performance in real applications.

97 MATHEMATICS AND COMPUTING↗

Optimization and Parallelization of the Thermal-Hydraulic Sub-channel Code CTF for High-Fidelity Multi-physics Applications

This paper describes major improvements to the computational infrastructure of the CTF sub-channel code so that full-core sub-channel-resolved simulations can now be performed in much shorter run-times, either in stand-alone mode or as part of coupled-code multi-physics calculations. These improvements support the goals of the Department Of Energy (DOE) Consortium for Advanced Simulations of Light Water (CASL) Energy Innovation Hub to develop high fidelity multi-physics simulation tools for nuclear energy design and analysis. A set of serial code optimizations--including fixing computational inefficiencies, optimizing the numerical approach, and making smarter data storage choices--are first described and shown to reduce both execution time and memory usage by about a factor of ten. Next, a Single Program Multiple Data (SPMD) parallelization strategy targeting distributed memory Multiple Instruction Multiple Data (MIMD) platforms and utilizing domain-decomposition is presented. In this approach, data communication between processors is accomplished by inserting standard MPI calls at strategic points in the code. The domain decomposition approach implemented assigns one MPI process to each fuel assembly, with each domain being represented by its own CTF input file. The creation of CTF input files, both for serial and parallel runs, is also fully automated through use of a pre-processor utility that takes a greatly reduced set of user input over the traditional CTF input file. To run CTF in parallel, two additional libraries are currently needed; MPI, for inter-processor message passing, and the Parallel Extensible Toolkit for Scientific Computation (PETSc), which is leveraged to solve the global pressure matrix in parallel. Results presented include a set of testing and verification calculations and performance tests assessing parallel scaling characteristics up to a full core, sub-channel-resolved model of Watts Bar Unit 1 under hot full-power conditions (193 17x17 assemblies, ~56,000 pins, ~59,000 sub-channels, ~2.8 million thermal-hydraulic (TH) control volumes). Results demonstrate that CTF can now perform full core analysis (not previously possible due to excessively long runtimes and memory requirements) on the order of 20 minutes. This new capability is not only useful to standalone CTF users, but is also being leveraged in support of coupled code multi-physics calculations being done in the CASL program.

COBRA-TF↗

Distributed-Memory Breadth-First Search on Massive Graphs. IN: Parallel Graph Algorithms

This chapter studies the problem of traversing large graphs using the breadth-first search order on distributed-memory supercomputers. We consider both the traditional level-synchronous top-down algorithm as well as the recently discovered direction optimizing algorithm. We analyze the performance and scalability trade-offs in using different local data structures such as CSR and DCSC, enabling in-node multithreading, and graph decompositions such as 1D and 2D decomposition.

97 MATHEMATICS AND COMPUTING↗

Recent developments in DYNSUB: New models, code optimization and parallelization

DYNSUB is a high-fidelity coupled code system consisting of the reactor simulator DYN3D and the sub-channel code SUBCHANFLOW. It describes nuclear reactor core behavior with pin-by-pin resolution for both steady-state and transient scenarios. In the course of the coupled code system's active development, super-homogenization (SPH) and generalized equivalence theory (GET) discontinuity factors may be computed with and employed in DYNSUB to compensate pin level homogenization errors. Because of the largely increased numerical problem size for pin-by-pin simulations, DYNSUB has bene fitted from HPC techniques to improve its numerical performance. DYNSUB's coupling scheme has been structurally revised. Computational bottlenecks have been identified and parallelized for shared memory systems using OpenMP. Comparing the elapsed time for simulating a PWR core with one-eighth symmetry under hot zero power conditions applying the original and the optimized DYNSUB using 8 cores, overall speed up factors greater than 10 have been observed. The corresponding reduction in execution time enables a routine application of DYNSUB to study pin level safety parameters for engineering sized cases in a scientific environment. (authors)

97 MATHEMATICS AND COMPUTING↗

Harnessing ferro-valleytricity in pentalayer rhombohedral graphene for memory and compute

Two-dimensional materials with multiple degrees of freedom, including spin, valleys, and orbitals, open up an exciting avenue for engineering multifunctional devices. Beyond spintronics, these degrees of freedom can lead to novel quantum effects such as valley-dependent Hall effects and orbital magnetism, which could revolutionize next-generation electronics. However, achieving independent control over valley polarization and orbital magnetism has been a challenge due to the need for large electric fields. A recent breakthrough involving pentalayer rhombohedral graphene has demonstrated the ability to individually manipulate anomalous Hall signals and orbital magnetic hysteresis, forming what is known as a valley-magnetic quartet. Here, we leverage the electrically tunable ferro-valleytricity of pentalayer rhombohedral graphene to develop nonvolatile memory and in-memory computation applications. We propose an architecture for a dense, scalable, and selector-less nonvolatile memory array that harnesses the electrically tunable ferro-valleytricity. In our designed array architecture, nondestructive read and write operations are conducted by sensing the valley state through two different pairs of terminals, allowing for independent optimization of read/write peripheral circuits. The power consumption of our PRG-based array is remarkably low, with only ∼6 nW required per write operation and ∼2.3 nW per read operation per cell. This consumption is orders of magnitude lower than that of the majority of state-of-the-art cryogenic memories. Additionally, we engineer in-memory computation by implementing majority logic operations within our proposed nonvolatile memory array without modifying the peripheral circuitry. In conclusion, our framework presents a promising pathway toward achieving ultra-dense cryogenic memory and in-memory computation capabilities.

2D materials↗

A phononic interface between a superconducting quantum processor and quantum networked spin memories

We introduce a method for high-fidelity quantum state transduction between a superconducting microwave qubit and the ground state spin system of a solid-state artificial atom, mediated via an acoustic bus connected by piezoelectric transducers. Applied to present-day experimental parameters for superconducting circuit qubits and diamond silicon-vacancy centers in an optimized phononic cavity, we estimate quantum state transduction with fidelity exceeding 99% at a MHz-scale bandwidth. By combining the complementary strengths of superconducting circuit quantum computing and artificial atoms, the hybrid architecture provides high-fidelity qubit gates with long-lived quantum memory, high-fidelity measurement, large qubit number, reconfigurable qubit connectivity, and high-fidelity state and gate teleportation through optical quantum networks.

47 OTHER INSTRUMENTATION↗

Application of Deep Learning on Integrating Prediction, Provenance, and Optimization

In this research, we investigated two approaches to detect job anoma- lies and/or contention for large scale computing efforts: 1. Preemptive job scheduling using binomial classification long short-term memory networks 2. Forecasting intra-node computing loads from the active jobs and addi- tional job(s) For approach 1, we achieved a 14% improvement in computational resources utilization and an overall classification accuracy of 85% on real tasks executed in a High Energy Physics computing workflow. For this paper, we present the preliminary results used in second approach.

Anomaly Detection, Belle II Computing, data proven↗

Distributed gradient descent for solving optimal power flow in radial networks

Node controllers and power distribution networks in accordance with embodiments of the invention enable distributed power control. One embodiment includes a node controller comprising a memory containing: a plurality of node operating parameters; and a plurality of node operating parameters describing operating parameters for a set of at least one node selected from the group consisting of at least one downstream node and at least one upstream node; wherein the processor is configured by the node controller application to: receive and store in memory a plurality of coordinator parameters describing operating parameters of a node coordinator by the network interface; and calculate updated node operating parameters using an iterative gradient projection process to determine updated node parameters using node operating parameters that describe operating parameters of node and operating parameters of the set of at least one node, where each iteration is determined by the coordinator parameters.

Gan, Lingwen↗

OpenMP Parallelization and Optimization of Graph-Based Machine Learning Algorithms

In this paper, we investigate the OpenMP parallelization and optimization of two novel data classification algorithms. The new algorithms are based on graph and PDE solution techniques and provide significant accuracy and performance advantages over traditional data classification algorithms in serial mode. The methods leverage the Nystrom extension to calculate eigenvalue/eigenvectors of the graph Laplacian and this is a self-contained module that can be used in conjunction with other graph-Laplacian based methods such as spectral clustering. We use performance tools to collect the hotspots and memory access of the serial codes and use OpenMP as the parallelization language to parallelize the most time-consuming parts. Where possible, we also use library routines. We then optimize the OpenMP implementations and detail the performance on traditional supercomputer nodes (in our case a Cray XC30), and test the optimization steps on emerging testbed systems based on Intel’s Knights Corner and Landing processors. We show both performance improvement and strong scaling behavior. Finally, a large number of optimization techniques and analyses are necessary before the algorithm reaches almost ideal scaling.

97 MATHEMATICS AND COMPUTING↗

Jagged Tiling for Intra-tile Parallelism and Fine-Grain Multithreading

In this paper, we have developed a novel methodology that takes into consideration multithreaded many-core designs to better utilize memory/processing resources and improve memory residence on tileable applications. It takes advantage of polyhedral analysis and transformation in the form of PLUTO, combined with a highly optimized finegrain tile runtime to exploit parallelism at all levels. The main contributions of this paper include the introduction of multi-hierarchical tiling techniques that increases intra tile parallelism; and a data-flow inspired runtime library that allows the expression of parallel tiles with an efficient synchronization registry. Our current implementation shows performance improvements on an Intel Xeon Phi board up to 32.25% against instances produced by state-of-the-art compiler frameworks for selected stencil applications.

compiler↗

Performance and Energy Usage of Workloads on KNL and Haswell Architectures. In: High Performance Computing Systems. Performance Modeling, Benchmarking, and Simulation

Manycore architectures are an energy-efficient step towards exascale computing within a constrained power budget. The Intel Knights Landing (KNL) manycore chip is a specific example of this and has seen early adoption by a number of HPC facilities. It is therefore important to understand the performance and energy usage characteristics of KNL. In this paper, we evaluate the performance and energy efficiency of KNL in contrast to the Xeon (Haswell) architecture for applications representative of the workload of users at NERSC. We consider the optimal MPI/OpenMP configuration of each application and use the results to characterize KNL in contrast to Haswell. As well as traditional DDR memory, KNL contains MCDRAM and we also evaluate its efficacy. Our results show that, averaged over our benchmarks, KNL is 1.84 × more energy efficient than Haswell and has 1.27 × greater performance.

Benchmarking↗

Exploring Hardware Support For Scaling Irregular Applications on Multi-node Multi-core Architectures

With the recent emergence of large-scale knowledge dis- covery, data mining and social network analysis, irregular applications have gained renewed interest. Classic cache-based high-performance architectures do not provide optimal performances with such kind of workloads, mainly due to the very low spatial and temporal locality of the irregular control and memory access patterns. In this paper, we present a multi-node, multi-core, fine-grained multi-threaded shared-memory system architecture specifically designed for the execution of large-scale irregular applications, and built on top of three pillars, that we believe are fundamental to support these workloads. First, we offer transparent hardware support for Partitioned Global Address Space (PGAS) to provide a large globally-shared address space with no software library overhead. Second, we employ multi-threaded multi-core processing nodes to achieve the necessary latency tolerance required by accessing global memory, which potentially resides in a remote node. Finally, we devise hardware support for inter-thread synchronization on the whole global address space. We first model the performances by using an analytical model that takes into account the main architecture and application characteristics. We describe the hardware design of the proposed cus- tom architectural building blocks that provide support for the above- mentioned three pillars. Finally, we present a limited-scale evaluation of the system on a multi-board FPGA prototype with typical irregular kernels and benchmarks. The experimental evaluation demonstrates the architecture performance scalability for different configurations of the whole system.

FPGA↗

Performance Models for Split-execution Computing Systems

Split-execution computing leverages the capabilities of multiple computational models to solve problems, but splitting program execution across different computational models incurs costs associated with the translation between domains. We analyze the performance of a split-execution computing system developed from conventional and quantum processing units (QPUs) by using behavioral models that track resource usage. We focus on asymmetric processing models built using conventional CPUs and a family of special-purpose QPUs that employ quantum computing principles. Our performance models account for the translation of a classical optimization problem into the physical representation required by the quantum processor while also accounting for hardware limitations and conventional processor speed and memory. We conclude that the bottleneck in this split-execution computing system lies at the quantum-classical interface and that the primary time cost is independent of quantum processor behavior.

multiprocessor↗

Using Simulation to Evaluate the Performance of Resilience Strategies and Process Failures

Fault-tolerance has been identified as a major challenge for future extreme-scale systems. Current predictions suggest that, as systems grow in size, failures will occur more frequently. Because increases in failure frequency reduce the performance and scalability of these systems, significant effort has been devoted to developing and refining resilience mechanisms to mitigate the impact of failures. However, effective evaluation of these mechanisms has been challenging. Current systems are smaller and have significantly different architectural features (e.g., interconnect, persistent storage) than we expect to see in next-generation systems. To overcome these challenges, we propose the use of simulation. Simulation has been shown to be an effective tool for investigating performance characteristics of applications on future systems. In this work, we: identify the set of system characteristics that are necessary for accurate performance prediction of resilience mechanisms for HPC systems and applications; demonstrate how these system characteristics can be incorporated into an existing large-scale simulator; and evaluate the predictive performance of our modified simulator. We also describe how we were able to optimize the simulator for large temporal and spatial scales-allowing the simulator to run 4x faster and use over 100x less memory.

97 MATHEMATICS AND COMPUTING↗

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

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

59 BASIC BIOLOGICAL SCIENCES↗

Petascale solvers for anisotropic PDEs in atmospheric modelling on GPU clusters

Memory bound applications such as solvers for large sparse systems of equations remain a challenge for GPUs. Fast solvers should be based on numerically efficient algorithms and implemented such that global memory access is minimised. To solve systems with trillions ( O ( 10 12 ) ) unknowns the code has to make efficient use of several million individual processor cores on large GPU clusters. We describe the multi-GPU implementation of two algorithmically optimal iterative solvers for anisotropic PDEs which are encountered in (semi-) implicit time stepping procedures in atmospheric modelling. In this application the condition number is large but independent of the grid resolution and both methods are asymptotically optimal, albeit with different absolute performance. In particular, an important constant in the discretisation is the CFL number; only the multigrid solver is robust to changes in this constant. We parallelise the solvers and adapt them to the specific features of GPU architectures, paying particular attention to efficient global memory access. We achieve a performance of up to 0.78 PFLOPs when solving an equation with 0.55 · 10 12 unknowns on 16384 GPUs; this corresponds to about 3% of the theoretical peak performance of the machine and we use more than 40% of the peak memory bandwidth with a Conjugate Gradient (CG) solver. Although the other solver, a geometric multigrid algorithm, has a slightly worse performance in terms of FLOPs per second, overall it is faster as it needs less iterations to converge; the multigrid algorithm can solve a linear PDE with half a trillion unknowns in about one second.

Computer Science↗

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↗

Phononic bus for coherent interfaces between a superconducting quantum processor, spin memory, and photonic quantum networks

A hybrid quantum system performs high-fidelity quantum state transduction between a superconducting (SC) microwave qubit and the ground state spin system of a solid-state artificial atom. This transduction is mediated via an acoustic bus connected by piezoelectric transducers to the SC microwave qubit. For SC circuit qubits and diamond silicon vacancy centers in an optimized phononic cavity, the system can achieve quantum state transduction with fidelity exceeding 99% at a MHz-scale bandwidth. By combining the complementary strengths of SC circuit quantum computing and artificial atoms, the hybrid quantum system provides high-fidelity qubit gates with long-lived quantum memory, high-fidelity measurement, large qubit number, reconfigurable qubit connectivity, and high-fidelity state and gate teleportation through optical quantum networks.

Englund, Dirk Robert↗