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DOE OSTI2015

Design and testing of the first 2D Prototype Vertically Integrated Pattern Recognition Associative Memory

An associative memory-based track finding approach has been proposed for a Level 1 tracking trigger to cope with increasing luminosities at the LHC. The associative memory uses a massively parallel architecture to tackle the intrinsically complex combinatorics of track finding algorithms, thus avoiding the typical power law dependence of execution time on occupancy and solving the pattern recognition in times roughly proportional to the number of hits. This is of crucial importance given the large occupancies typical of hadronic collisions. The design of an associative memory system capable of dealing with the complexity of HL-LHC collisions and with the short latency required by Level 1 triggering poses significant, as yet unsolved, technical challenges. For this reason, an aggressive R&D program has been launched at Fermilab to advance state of-the-art associative memory technology, the so called VIPRAM (Vertically Integrated Pattern Recognition Associative Memory) project. The VIPRAM leverages emerging 3D vertical integration technology to build faster and denser Associative Memory devices. The first step is to implement in conventional VLSI the associative memory building blocks that can be used in 3D stacking, in other words, the building blocks are laid out as if it is a 3D design. In this paper, we report on the first successful implementation of a 2D VIPRAM demonstrator chip (protoVIPRAM00). The results show that these building blocks are ready for 3D stacking.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Sigma: Strain-level inference of genomes from metagenomic analysis for biosurveillance

Motivation: Metagenomic sequencing of clinical samples provides a promising technique for direct pathogen detection and characterization in biosurveillance. Taxonomic analysis at the strain level can be used to resolve serotypes of a pathogen in biosurveillance. Sigma was developed for strain-level identification and quantification of pathogens using their reference genomes based on metagenomic analysis. Results: Sigma provides not only accurate strain-level inferences, but also three unique capabilities: (i) Sigma quantifies the statistical uncertainty of its inferences, which includes hypothesis testing of identified genomes and confidence interval estimation of their relative abundances; (ii) Sigma enables strain variant calling by assigning metagenomic reads to their most likely reference genomes; and (iii) Sigma supports parallel computing for fast analysis of large datasets. In conclusion, the algorithm performance was evaluated using simulated mock communities and fecal samples with spike-in pathogen strains. Availability and Implementation: Sigma was implemented in C++ with source codes and binaries freely available at http://sigma.omicsbio.org.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Observation of Skewed Electromagnetic Wakefields in an Asymmetric Structure Driven by Flat Electron Bunches

Relativistic charged -particle beams that generate intense longitudinal fields in accelerating structures also inherently couple to transverse modes. The effects of this coupling may lead to beam breakup instability and thus must be countered to preserve beam quality in applications such as linear colliders. Beams with highly asymmetric transverse sizes (flat beams) have been shown to suppress the initial instability in slab -symmetric structures. However, as the coupling to transverse modes remains, this solution serves only to delay instability. In order to understand the hazards of transverse coupling in such a case, we describe here an experiment characterizing the transverse effects on a flat beam, traversing near a planar dielectric lined structure. Further, the measurements reveal the emergence of a previously unobserved skew-quadrupolelike interaction when the beam is canted transversely, which is not present when the flat beam travels parallel to the dielectric surface. We deploy a multipole field fitting algorithm to reconstruct the projected transverse wakefields from the data. We generate the effective kick vector map using a simple two -particle theoretical model, with particle -in -cell simulations used to provide further insight for realistic particle distributions.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

TGE: Machine Learning Based Task Graph Embedding for Large-Scale Topology Mapping

Task mapping is an important problem in parallel and distributed computing. The goal in task mapping is to find an optimal layout of the processes of an application (or a task) onto a given network topology. We target this problem in the context of staging applications. A staging application consists of two or more parallel applications (also referred to as staging tasks) which run concurrently and exchange data over the course of computation. Task mapping becomes a more challenging problem in staging applications, because not only data is exchanged between the staging tasks, but also the processes of a staging task may exchange data with each other. We propose a novel method, called Task Graph Embedding (TGE), that harnesses the observable graph structures of parallel applications and network topologies. TGE employs a machine learning based algorithm to find the best representation of a graph, called an embedding, onto a space in which the task-to-processor mapping problem can be solved. We evaluate and demonstrate the effectiveness of TGE experimentally with the communication patterns extracted from runs of XGC, a large-scale fusion simulation code, on Titan.

Choi, Jong Youl↗

DOE OSTI2016

Investigations on RELAP5-3D to RELAP5-3D coupling methodology by PVMEXEC

In the framework of a BEPU (Best Estimate Plus Uncertainty) approach within the licensing process of a nuclear power plant, the need to extend the resources of nuclear system thermal-hydraulics codes, such as RELAP5-3D, arises to allow more detailed simulations of the complex 3D reality of Nuclear Power Plants (NPPs), either under normal steady-state or during various accident scenarios. Currently, it is not possible to achieve the same degree of detail for a whole nuclear system when it is simulated with RELAP5-3D and this is due to the inherent limitations in the number of components and volumes to be used for the analysis. For this reason, it is of extreme interest the use of tools for codes coupling that enable the use of different codes for the simulation of different portions of a system in a unified analysis. In this paper the attention will be focused on the decomposition of the thermal-hydraulic domain of a system into subsystems to be simulated by different instances of the same code (e.g. RELAP5-3D) coupled together by means of PVMEXEC program and parallel virtual machine (PVM) technology. Explicit and semi-implicit solution algorithms were used for the analyses. Among the analyzed cases, the following will be discussed in detail with the aim to provide additional guidelines for the use of the PVMEXEC tool: (i) the Edward's pipe blowdown test, (ii) a simplified countercurrent heat exchanger, (iii) different hydraulics and heat structure coupling schemes for a shell-tube heat exchanger and (iv) a three-task coupled model of an adaptation of the Christensen subcooled boiling experiment. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

SU-E-T-180: Fano Cavity Test of Proton Transport in Monte Carlo Codes Running On GPU and Xeon Phi

Purpose: In proton dose calculation, clinically compatible speeds are now achieved with Monte Carlo codes (MC) that combine 1) adequate simplifications in the physics of transport and 2) the use of hardware architectures enabling massive parallel computing (like GPUs). However, the uncertainties related to the transport algorithms used in these codes must be kept minimal. Such algorithms can be checked with the so-called “Fano cavity test”. We implemented the test in two codes that run on specific hardware: gPMC on an nVidia GPU and MCsquare on an Intel Xeon Phi (60 cores). Methods: gPMC and MCsquare are designed for transporting protons in CT geometries. Both codes use the method of fictitious interaction to sample the step-length for each transport step. The considered geometry is a water cavity (2×2×0.2 cm{sup 3}, 0.001 g/cm{sup 3}) in a 10×10×50 cm{sup 3} water phantom (1 g/cm{sup 3}). CPE in the cavity is established by generating protons over the phantom volume with a uniform momentum (energy E) and a uniform intensity per unit mass I. Assuming no nuclear reactions and no generation of other secondaries, the computed cavity dose should equal IE, according to Fano's theorem. Both codes were tested for initial proton energies of 50, 100, and 200 MeV. Results: For all energies, gPMC and MCsquare are within 0.3 and 0.2 % of the theoretical value IE, respectively (0.1% standard deviation). Single-precision computations (instead of double) increased the error by about 0.1% in MCsquare. Conclusion: Despite the simplifications in the physics of transport, both gPMC and MCsquare successfully pass the Fano test. This ensures optimal accuracy of the codes for clinical applications within the uncertainties on the underlying physical models. It also opens the path to other applications of these codes, like the simulation of ion chamber response.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

Polytope

Polytope is a library that wraps several algorithms for generating the Voronoi diagram in both serial and distributed parallel.

Source record↗

DOE OSTI2017

Quinoa, Version 0.2

Quinoa is a set of computational tools that enables research and numerical analysis in fluid dynamics. At this time it remains a test-bed to experiment with various algorithms using fully asynchronous runtime systems. Currently, Quinoa consists of the following tools: (1) Walker, a numerical integrator for systems of stochastic differential equations in time. It is a mathematical tool to analyze and design the behavior of stochastic differential equations. It allows the estimation of arbitrary coupled statistics and probability density functions and is currently used for the design of statistical moment approximations for multiple mixing materials in variable-density turbulence. (2) Inciter, an overdecomposition-aware finite element field solver for partial differential equations using 3D unstructured grids. Inciter is used to research asynchronous mesh-based algorithms and to experiment with coupling asynchronous to bulk-synchronous parallel code. Two planned new features of Inciter, compared to the previous release (LA-CC-16-015), to be implemented in 2017, are (a) a simple Navier-Stokes solver for ideal single-material compressible gases, and (b) solution-adaptive mesh refinement (AMR), which enables dynamically concentrating compute resources to regions with interesting physics. Using the NS-AMR problem we plan to explore how to scale such high-load-imbalance simulations, representative of large production multiphysics codes, to very large problems on very large computers using an asynchronous runtime system. (3) RNGTest, a test harness to subject random number generators to stringent statistical tests enabling quantitative ranking with respect to their quality and computational cost. (4) UnitTest, a unit test harness, running hundreds of tests per second, capable of testing serial, synchronous, and asynchronous functions. (5) MeshConv, a mesh file converter that can be used to convert 3D tetrahedron meshes from and to either of the following formats: Gmsh, http://www.geuz.org/gmsh, Netgen, http://sourceforge.net/apps/mediawiki/netgen-mesher, ExodusII, http://sourceforge.net/projects/exodusii, HyperMesh, http://www.altairhyperworks.com/product/HyperMesh.

Bakosi, Jozsef↗

DOE OSTI2019

AnisWave2D

AnisWave2D is a 2D finite-difference code for simulating seismic wave propagation in fully anisotropic materials. The code is implemented to run in parallel over multiple processors and is fully portable. A mesh refinement algorithm has been utilized to allow the grid-spacing to be tailored to the velocity model, avoiding the over-sampling of high-velocity materials that usually occurs in fixed-grid schemes.

Toomey, Aoife↗

DOE OSTI2026

Software Control Program For Transportable Microgrid State-of-charge Balancing And Frequency Stability Controls

A deterministic state-of-charge (SOC) balancing approach software control code is introduced as an integral secondary management to primary control layer of an islanded small microgrid or nanogrid system made up of multiple grid-forming inverter/battery/solar combination systems, where each set of batteries with each inverter are on independent DC buses (i.e. non-paralleled on the DC sides). A DERMS-level control approach, algorithm and automation controller program was developed to improve coordination and enable microgrid asset compliance and SOC balancing, enabling provision of a system-level power stability support architecture, load support, and asset scalability. The architecture is configured to treat each unit or micro/nano-grid as a node in a microgrid network, allowing for autonomous DERMS control regarding load and SOC balancing and power stability. As the network grows with the addition of units, greater coordination efforts may be required. The ideal small network microgrid ranges from 2-10 inverter/battery units before additional control parameters must be considered in the existing architecture. The control approach focuses on a deterministic state-of-charge analysis as the primary level control process followed by a secondary control loop using a forced frequency-watt droop strategy to conform off-the-shelf components into behaving under a leader-follower configuration. Adopting this control scheme has been shown to allow for a balanced, unit-coordinated microgrid network, enabling stable power flow. The deterministic state-of-charge approach is introduced as an integral primary control layer of an islanded small network microgrid. A standard strategy for SOC balancing is implementing a battery management system (BMS) to control SOC on the DC side. An alternative approach is to determine how to coordinate sending and receiving power on the AC side with multiple units. The latter approach assesses all the integrated units in the microgrid network. Once the individual units are identified, further system data is required to calculate each unit's total kWh, provided information about its capability to supply or consume kWh and availability. The secondary control layer in the multi-layered small network microgrid methodology uses the primary layer’s decision to initiate frequency setpoint changes, initializing the SOC balancing. The secondary control layer considers numerous system-dependent variables to enable a charging and discharging profile based on adjustable frequency setpoints. The combined architecture will result in stable, coordinated power flow enhancing an AC microgrid's functionalities.

Myers, KurtS [Idaho National Laboratory (INL), Ida↗

DOE OSTI2013

Polytope

Polytope is a library that wraps several algorithms for generating the Voronoi diagram in both serial and distributed parallel.

Source record↗

DOE OSTI2018

System and method of storing and analyzing information

A system and method of storing and analyzing information is disclosed. The system includes a compiler layer to convert user queries to data parallel executable code. The system further includes a library of multithreaded algorithms, processes, and data structures. The system also includes a multithreaded runtime library for implementing compiled code at runtime. The executable code is dynamically loaded on computing elements and contains calls to the library of multithreaded algorithms, processes, and data structures and the multithreaded runtime library.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

System and method of storing and analyzing information

Feo, John T.↗

DOE OSTI2019

Using OpenMP for HEP Framework Algorithm Scheduling [Slides]

The OpenMP standard is the primary mechanism used at high performance computing facilities to allow intra-process parallelization. In contrast, many HEP specific software (such as CMSSW, GaudiHive, and ROOT) make use of Intel's Threading Building Blocks (TBB) library to accomplish the same goal. In this talk we will discuss our work to compare TBB and OpenMP when used for scheduling algorithms to be run by a HEP style data processing framework (i.e. running hundreds of interdependent algorithms at most once for each event read from the detector). This includes both scheduling of different algorithms to be run concurrently as well as scheduling concurrent work within one algorithm. As part of the discussion we present an overview of the OpenMP threading model. We also explain how we used OpenMP when creating a simplified HEP-like processing framework. Using that simplified framework, and a similar one written using TBB, we will present performance comparisons between TBB and different compiler versions of OpenMP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Development of MGMC: A proxy Multi-Group Monte Carlo Particle Transport Application

This document details the development and current state of MGMC: a proxy Multi-Group Monte Carlo transport application. The goal of this work was to develop a light-weight Monte Carlo transport solver that could be easily reconfigured to test parallelization strategies targeting advanced architectures and heterogeneous computing environments. Additionally, MGMC is able to act as a proxy-app for testing the development of algorithms and the integration of other libraries and into Monte Carlo transport codes. MGMC is currently able to run in parallel using OpenMP for CPU threads or CUDA for NVIDIA GPUs. MGMC was also used to investigate the using SYCL for portable parallelization targeting either CPU threads, vender-agnostic GPUs, and ARM chips, detailed in Section II. In the process of developing MGMC, several other C++ libraries have been created with the intent for re-use in future research projects and potential inclusion in production-level codes, detailed in Section III. The physics capabilities in MGMC are detailed in Section IV, code verification is detailed in Section V, and performance results are detailed in Section VI.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

A scalable, fully implicit algorithm for the reduced two-field low-β extended MHD model

Here, we demonstrate a scalable fully implicit algorithm for the two-field low-β extended MHD model. This reduced model describes plasma behavior in the presence of strong guide fields, and is of significant practical impact both in nature and in laboratory plasmas. The model displays strong hyperbolic behavior, as manifested by the presence of fast dispersive waves, which make a fully implicit treatment very challenging. In this study, we employ a Jacobian-free Newton–Krylov nonlinear solver, for which we propose a physics-based preconditioner that renders the linearized set of equations suitable for inversion with multigrid methods. As a result, the algorithm is shown to scale both algorithmically (i.e., the iteration count is insensitive to grid refinement and timestep size) and in parallel in a weak-scaling sense, with the wall-clock time scaling weakly with the number of cores for up to 4096 cores. For a 4096 × 4096 mesh, we demonstrate a wall-clock-time speedup of ~6700 with respect to explicit algorithms. The model is validated linearly (against linear theory predictions) and nonlinearly (against fully kinetic simulations), demonstrating excellent agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Efficient Parallel Discrete Event Simulation on Cloud/Virtual Machine Platforms

Cloud and Virtual machine (VM) technologies present new challenges with respect to performance and monetary cost in executing parallel discrete event simulation (PDES) applications. Due to the introduction of overall cost as a metric, the traditional use of the highest-end computing configuration is no longer the most obvious choice. Moreover, the unique runtime dynamics and configuration choices of Cloud and VM platforms introduce new design considerations and runtime characteristics specific to PDES over Cloud/VMs. Here, an empirical study is presented to guide an understanding of the dynamics, trends, and trade-offs in executing PDES on Cloud/VM platforms. Performance and cost measures obtained from multiple PDES applications executed on the Amazon EC2 Cloud and on a high-end VM host machine reveal new, counterintuitive VM--PDES dynamics and guidelines. One of the critical aspects uncovered is the fundamental mismatch in hypervisor scheduler policies designed for general cloud workloads versus the virtual time ordering needed for PDES workloads. This insight is supported by experimental data revealing the gross deterioration in PDES performance traceable to VM scheduling policy. To overcome this fundamental problem, the design and implementation of a new deadlock-free scheduler algorithm are presented, optimized specifically for PDES applications on VMs. The scalability of our scheduler has been tested up to 128 VMs multiplexed on 32 cores, showing significant improvement in the runtime relative to the default Cloud/VM scheduler. The observations, algorithmic design, and results are timely for emerging cloud/VM-based installations, highlighting the need for PDES-specific support in high performance discrete event simulations on Cloud/VM platforms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Plasma Science and Innovation Center at Washington, Wisconsin, and Utah State: Final Scientific Report for the University of Wisconsin-Madison

The University of Wisconsin-Madison component of the Plasma Science and Innovation Center (PSI Center) contributed to modeling capabilities and algorithmic efficiency of the Non-Ideal Magnetohydrodynamics with Rotation (NIMROD) Code, which is widely used to model macroscopic dynamics of magnetically confined plasma. It also contributed to the understanding of direct-current (DC) injection of electrical current for initiating and sustaining plasma in three spherical torus experiments: the Helicity Injected Torus-II (HIT-II), the Pegasus Toroidal Experiment, and the National Spherical Torus Experiment (NSTX). The effort was funded through the PSI Center's cooperative agreement with the University of Washington and Utah State University over the period of March 1, 2005 - August 31, 2016. In addition to the computational and physics accomplishments, the Wisconsin effort contributed to the professional education of four graduate students and two postdoctoral research associates. The modeling for HIT-II and Pegasus was directly supported by the cooperative agreement, and contributions to the NSTX modeling were in support of work by Dr. Bickford Hooper, who was funded through a separate grant. Our primary contribution to model development is the implementation of detailed closure relations for collisional plasma. Postdoctoral associate Adam Bayliss implemented the temperature-dependent effects of Braginskii's parallel collisional ion viscosity. As a graduate student, John O'Bryan added runtime options for Braginskii's models and Ji's K2 models of thermal conduction with magnetization effects and thermal equilibration. As a postdoctoral associate, O'Bryan added the magnetization effects for ion viscosity. Another area of model development completed through the PSI-Center is the implementation of Chodura's phenomenological resistivity model. Finally, we investigated and tested linear electron parallel viscosity, leveraged by support from the Center for Extended Magnetohydrodynamic Modeling (CEMM). Work on algorithmic efficiency improved NIMROD's element-based computations. We reordered arrays and eliminated a level of looping for computations over the data points that are used for numerical integration over elements. Moreover, the reordering allows fewer and larger communication calls when using distributed-memory parallel computation, thereby avoiding a data starvation problem that limited parallel scaling over NIMROD's Fourier components for the periodic coordinate. Together with improved parallel preconditioning, work that was supported by CEMM, these developments allowed NIMROD's first scaling to over 10,000 processor cores. Another algorithm improvement supported by the PSI Center is nonlinear numerical diffusivities for implicit advection. We also developed the Stitch code to enhance the flexibility of NIMROD's preprocessing. Our simulations of HIT-II considered conditions with and without fluctuation-induced amplification of poloidal flux, but our validation efforts focused on conditions without amplification. A significant finding is that NIMROD reproduces the dependence of net plasma current as the imposed poloidal flux is varied. The modeling of Pegasus startup from localized DC injectors predicted that development of a tokamak-like configuration occurs through a sequence of current-filament merger events. Comparison of experimentally measured and numerically computed cross-power spectra enhance confidence in NIMROD's simulation of magnetic fluctuations; however, energy confinement remains an open area for further research. Our contributions to the NSTX study include adaptation of the helicity-injection boundary conditions from the HIT-II simulations and support for linear analysis and computation of 3D current-driven instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗