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At least 343 records · Page 19

Exascale Virtualized and Programmable Distributed Cyber Resource Control: Final Scientific Technical Report

Extreme-science drives the need for distributed exascale processing and communications that are carefully, yet flexibly, managed. Exponential growth of data for scientific simulations, experimental data, collaborative data analyses, remote visualization and GRID computing requirements of scientists in fields as diverse as high energy physics, climate change, genomics, fusion, synchrotron radiation, material science, medicine, and other scientific disciplines cannot be accommodated by simply applying existing transport protocols to faster pipes. Further, scientific challenges today demand diverse research teams, heightening the need for and increasing the complexity of collaboration. To address these issues within the network layer and physical layer, we have performed a number of research activities surrounding effective allocation and management of elastic optical network (EON) resources, particularly focusing on FlexGrid transponders. FlexGrid transponders support the opportunity to build Layer-1 connections at a wide range of bandwidths and to reconfigure them rapidly. The new flexibility supports complex new ways of using the physical layer that must be carefully managed and hidden from the scientist end-users. FlexGrid networks utilize flexible (or elastic) spectral bandwidths for each data link without using fixed wavelength grids. The flexibility in spectrum allocation brings many appealing features to network operations. Current networks are designed for the worst case impairments in transmission performance and the assigned spectrum is over-provisioned. In contrast, the FlexGrid networks can operate with the highest spectral efficiency and minimum bandwidth for the given traffic demand while meeting the minimum quality of transmission (QoT) requirement. Two primary focuses of our research are: (1) resource and spectrum allocation (RSA) for IP traffic over EONs, and (2) RSA for cross-domain optical networks. Previous work concentrates primarily on large file transfers within a single domain. Adding support for IP traffic changes the nature of the RSA problem: instead of choosing to accept or deny each request for network support, IP traffic is inherently elastic and thus lends itself to a bandwidth maximization formulation. We developed a number of algorithms that could be easily deployed within existing and new FlexGrid networks, leading to networks that better support scientific collaboration. Cross-domain RSA research is essential to support large-scale FlexGrid networks, since configuration information is generally not shared or coordinated across domains. The results presented here are in their early stages. They are technically feasible and practical, but still require coordination among organizations and equipment owners and a higher-layer framework for managing network requests.

42 ENGINEERING↗

PIPER: Performance Insight for Programmers and Exascale Runtimes: Guiding the Development of the Exascale Software Stack

The PIPER project set out to develop methodologies and software for measurement, analysis, attribution, and presentation of performance data for extreme-scale systems. Goals of the project were to support analysis of massive multi-scale parallelism, heterogeneous architectures, multi-faceted performance concerns, and to support both post-mortem performance analysis to identify program features that contribute to problematic performance and on-line performance analysis to drive adaptation. This final report summarizes the research and development activity at Rice University as part of the PIPER project. Producing a complete suite of performance tools for exascale platforms during the course of this project was impossible since both hardware and software for exascale systems is still a moving target. For that reason, the project focused broadly on the development of new techniques for measurement and analysis of performance on modern parallel architectures, enhancements to HPCToolkit’s software infrastructure to support our research goals or use on sophisticated applications, engaging developers of multithreaded runtimes to explore how support for tools should be integrated into their designs, engaging operating system developers with feature requests for enhanced monitoring support, engaging vendors with requests that they add hardware measure- ment capabilities and software interfaces needed by tools as they design new components of HPC platforms including processors, accelerators and networks, and finally collaborations with partners interested in using HPCToolkit to analyze and tune scalable parallel applications.

97 MATHEMATICS AND COMPUTING↗

Vancouver 2: Improving Programmability of Contemporary Heterogeneous Architectures, Final Report

The University of Oregon (UO) was a partner in the Vancouver 2 project together with Oak Ridge National Laboratory (ORNL), the University of Illinois-Urbana/Champaign (UIUC), and the Geor- gia Institute of Technology (GT). UO’s objective in the project was to advance the performance technology for evolving heterogenous computing systems, especially for exascale platforms. During the project period, our efforts focused on the advances taking place in manycore and accelera- tor processors, specifically those found in GPU and MIC devices. In addition to the design and development of novel performance measurement and analysis techniques, UO demonstrated these capabilities on real HPC applications and current generation heterogeneous machines. The following final report summarizes our accomplishments during the Vancouver 2 project, highlighting research work in the recent year (Year 3).

97 MATHEMATICS AND COMPUTING↗

PIPER: Performance Insights for Programmers and Exascale Runtimes

During the lifetime of the project, the PIPER at the University of Utah worked in collaboration with the team from the partner institutions to establish a set of software tools for analyzing and improving the performance parallel computing tools. These activities complement and complete the work performed by the other X-Stack 2 projects with the definition of a common data models and computing infrastructures, which have been a central element in the targeted performance analysis pipeline and new programming models. The University of Utah team have focused mainly on developing data analysis and visualization systems to facilitate exploration, comparison and evaluation of the behavior and performance of complex algorithms in modern HPC infrastructures. This is involved several demonstrations of the performance achieved and presentation of the results in a way that facilitates the users understand bottlenecks and ways to overcome them. One major focus of the University of Utah activities has been the analysis of the performance characteristics of Fat-Tree and Dragonfly topology networks. The work involved the development of practical visualization systems especially in collaboration with the team at LLNL, and published several papers and gave invited talks at prestigious venues such as the Salishan Conference on High-Speed Computing or the International Conference on High Performance Computing, Data, and Analytics. In addition, the university of Utah team has advanced the core activities on analyzing the performance characteristics of I/O and other data movement systems and their practical use for scaling Uintah and other simulation codes poised for use in the exascale computing environments of the future.

42 ENGINEERING↗

A platform for quantum information and large-scale entanglement with Rydberg atoms in programmable optical potentials

Large-scale quantum systems with controllable interactions are important for understanding complex phenomena in nature, and are the basis for advanced quantum technologies. Realizing a controllable platform for controlling, understanding, and ultimately harnessing the entanglement is an outstanding challenge in quantum science. This project demonstrated reconfigurable arrays of individually-trapped ultracold atoms, thus realizing a platform that could demonstrate large-scale quantum entanglement with the addition of strong inter-atomic interactions. Arrays of more than 50 trap sites were formed via digital holography and a high-numerical aperture imaging system that featured in-situ trap diagnostics and single-atom imaging resolution. We further discovered a new implementation of a controlled-phase gate that utilized coherent excitation to Rydberg states. This method will enable robust entanglement protocols in many-atom systems such as the one developed here.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

PIPER: Performance Insight for Programmers and Exascale Runtimes (Final Technical Report)

This project concentrated on the development of novel performance tools and analysis techniques for large scale parallel systems and applications, eventually targeting exascale platforms. Activities conducted included work to novel root cause detection approaches and an auto-tuning framework for parallel systems. The work has led to several software solutions, which are available as open source.

97 MATHEMATICS AND COMPUTING↗

Programmable Nanocomposite Membranes for Ion-Based Electrical Energy Storage

This report describes a new, bio-inspired approach to electrical energy storage, based on the generation, maintenance, and discharge of ion concentration gradients. This approach was investigated as part of a Laboratory Directed Research and Development program at Sandia National Laboratories in Albuquerque, NM between October 2012 and September 2015. In particular, this report describes the development of ion-selective nanoporous membranes, controlled through pore morphology and Sandia-developed electrochemical functionalization. In addition, it describes a potential avenue to functionalize synthetic polymer membranes in a way that facilitates oriented ion pump binding to polymer surfaces. Finally, it highlights a number of new computational findings central to the understanding and ultimate design of synthetic ion channels and ion gates needed for biomimetic ion-based electrochemical energy storage.

25 ENERGY STORAGE↗

VERAView API and Programmer's Guide (Milestone L3:PHI.MQA-1.P19.03)

VERAView's component-based design facilitates extension and integration into other applications and systems. In addition to describing VERAView's architecture and components, this document provides details on the component application programming interfaces (API), illustrates how to use them independently of VERAView itself, and explains how to extend VERAView with custom visualizations.

97 MATHEMATICS AND COMPUTING↗

VERAIn Programmer's Manual

This document provides information needed by developers who will be working in the VERAIn source code. It provides a high-level overview of input design, as well as guidelines for adding new inputs.

97 MATHEMATICS AND COMPUTING↗

VERAView Programmer’s Manual

VERAView’s component-based design facilitates its extension and integration into other applications and systems. In addition to describing VERAView’s architecture and components, this document provides details on the component application programming interfaces (APIs), illustrates how to use the APIs independently of VERAView itself, and explains how to extend VERAView with custom visualizations.

97 MATHEMATICS AND COMPUTING↗

MPACT Programmer's Manual (V.4.3)

Figure 1 shows a high-level call chart for MPACT. The call chart uses the actual procedure names, starting with the main program name, MPACT. The only exception is the italicized names where the upstream procedure contains a number of subroutines calls. These calls are logically separated into blocks, such as setup basic info/inputs. Brief descriptions of what the procedure accomplishes are provided where needed. More detailed procedure information, including procedure arguments and definitions, can be found directly in the procedure header in the MPACT source code or Doxygen documentation (http://www.doxygen.nl/).

97 MATHEMATICS AND COMPUTING↗

Programmable quantum emitter arrays

Following up on our earlier results in this program, on quantum photonic interface for tin-vacancy in diamond, we demonstrated spin control for this color center. We also worked towards creating engineered arrays of excitons in transition metal dichalcogenides (TMDs) and we developed platforms for efficient exciton-photon coupling. Finally, we worked on new quantum emitter arrays in hexagonal boron nitride.

36 MATERIALS SCIENCE↗

VERAIn Programmer's Manual

This document provides information needed by developers who will be working in the VERAIn source code. It provides a high-level overview of input design, as well as guidelines for adding new inputs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Field Programmable Gate Array-Based Reactor Protection Systems and Potential for Inclusion of Secure Elements to Improve Cybersecurity

For acceptable implementations of technologies like wireless communications, remote monitoring, etc., strong mitigations must be developed and evaluated to ensure that new attack pathways do not increase risk for Advanced Reactors. Secure Elements can be adopted and adapted for this purpose based on tamper resistance and cryptographic abilities, but research must be done to properly integrate into critical components such as FPGA-based Important to Safety systems in conjunction with current and future regulations on cyber security features in Advanced Reactors. Typically, the integration of a Secure Element happens during the POST and UEFI boot of a computing platform, performed by the Operating System, which is not possible with FPGAs because they do not include these firmware components. Work must be done to identify a reliable and secure method for integration in FPGA-based systems which lack Operating Systems and therefore complex boot procedures, system calls, etc.

97 MATHEMATICS AND COMPUTING↗

Programmable Catalyst Structures via Adsorbate-Induced Adatom Assembly

The electronic structure and geometric configuration of oxide-supported metal ions are important coordination properties that can be related to catalytic activity and stability. Herein, we interrogate the coordination environment of mononuclear Pd ions supported on ceria using CO adsorption, infrared vibrational spectroscopy, and DFT modeling. We observed the 15 h continuous co-evolution of a palladium- (2167 cm -1 ) and cerium-carbonyl (2177 cm -1 ) complex by monitoring the $\nu$(CO) infrared region. The slow CO adsorption kinetics were caused by the reactive ligand exchange between an oxygen atom of the support and the CO adsorbate to yield an oxygen vacancy and adsorbed CO 2 . We hypothesize that the co-evolved cerium-carbonyl complex was formed upon CO adsorption at or adjacent to this oxygen vacancy. Our hypothesis was experimentally supported by a dramatic attenuation of the cerium carbonyl signal upon pre-adsorption of water through an apparent competitive adsorption mechanism. The attenuation was also accompanied by a 6 cm -1 redshift of the palladium carbonyl band (2161 cm -1 ) attributed to hydrogen bonding between the carbonyl and a nearby hydroxyl. Characteristic n(CO) stretch frequencies catalogued through CO adsorption onto single crystal ceria by Wöll et al.1 led us to index the cerium carbonyl to the {100} nanofacet of the polycrystalline ceria support. It follows from the observed co-evolution of the two carbonyl complexes that Pd was also adsorbed at the {100} nanofacet. Redeployment of a previously developed DFT model by Ivanova-Shor et al.2 featuring square-planar coordination of Pd2+ at the {100} nanofacet (O 4 Pd) of a Ce 21 O 42 nanoparticle model qualitatively reproduced several experimental observations.

36 MATERIALS SCIENCE↗

Field Programmable Gate Array-Based Reactor Protection Systems and Potential for Inclusion of Secure Elements to Improve Cybersecurity

For acceptable implementations of technologies like wireless communications, remote monitoring, etc., strong mitigations must be developed and evaluated to ensure that new attack pathways do not increase risk for Advanced Reactors. Secure Elements can be adopted and adapted for this purpose based on tamper resistance and cryptographic abilities, but research must be done to properly integrate into critical components such as FPGA-based Important to Safety systems in conjunction with current and future regulations on cyber security features in Advanced Reactors. Typically, the integration of a Secure Element happens during the POST and UEFI boot of a computing platform, performed by the Operating System, which is not possible with FPGAs because they do not include these firmware components. Work must be done to identify a reliable and secure method for integration in FPGA-based systems which lack Operating Systems and therefore complex boot procedures, system calls, etc.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗