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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Application Experiences on a GPU-Accelerated Arm-based HPC Testbed

This paper assesses and reports the experience of ten teams working to port, validate, and benchmark several High Performance Computing applications on a novel GPU-accelerated Arm testbed system. The testbed consists of eight NVIDIA Arm HPC Developer Kit systems, each one equipped with a server-class Arm CPU from Ampere Computing and two data center GPUs from NVIDIA Corp. The systems are connected together using InfiniBand interconnect. The selected applications and mini-apps are written using several programming languages and use multiple accelerator-based programming models for GPUs such as CUDA, OpenACC, and OpenMP offloading. Working on application porting requires a robust and easy-to-access programming environment, including a variety of compilers and optimized scientific libraries. The goal of this work is to evaluate platform readiness and assess the effort required from developers to deploy well-established scientific workloads on current and future generation Arm-based GPU-accelerated HPC systems. The reported case studies demonstrate that the current level of maturity and diversity of software and tools is already adequate for large-scale production deployments.

Elwasif, Wael↗

DOE OSTI2017

LK Scripting Language [SWR-16-07]

The LK scripting language is a simple and fast computer programming language designed for easy integration with existing software to enable automation of tasks. The LK language is used by NREL’s System Advisor Model (SAM), the SAM Software Development Kit (SDK), and SolTrace products. LK is easy extensible and adaptable to new software due to its small footprint and is designed to be statically linked into other software. It is written in standard C++, is cross-platform (Windows, Linux, and OSX), and includes optional portions that enable direct integration with graphical user interfaces written in the open source C++ wxWidgets Version 3.0+ toolkit.

Source record↗

DOE OSTI2016

LK Scripting Language

Source record↗

DOE OSTI2024

eCC++ : A Compiler Construction Framework for Embedded Domain-Specific Languages

eCC++ is a new compiler construction framework for embedding domain-specific programming languages within C++. That is, the host language is C++, the guest language is the DSL to be embedded in C++, and eCC++ is the tool that enables the embedding. The eCC++ framework is composed of three main components: a front-end, an API for program verification based on a functional and declarative intermediate representation (IR), and a Multi-Level Intermediate Representation (MLIR) code generator. The eCC++ front-end consists of a library of C++ classes and operators that can be used to define the guest language. Guest sources are compiled with any standard C++ compiler, and when run, the resulting executable generates an eCC++ IR representation of the program, which can be verified within the eCC++ framework. Finally, eCC++ allows for high-level and domain-specific optimizations before generating MLIR. In summary, eCC++ aims to act as a generic front-end that enables embedding guest languages into C++, and provides necessary compiler technology for program verification, targeting the existing capabilities in the MLIR infrastructure. The paper evaluates the eCC++ expressiveness and usability describing the process of embedding GraphIt, a high-performance graph language in C++.

Gonzalez Tallada, Marc↗

DOE OSTI2015

Development of Data Acquisition System for nuclear thermal hydraulic out-of-pile facility using the graphical programming methods

This paper describes the design of data acquisition system (DAQ) that is connected to a PC and development of a feedback control system that maintains the coolant temperature of the process at a desired set point using a digital controller system based on the graphical programming language. The paper will provide details about the data acquisition unit, shows the implementation of the controller, and present test results. (authors)

42 ENGINEERING↗

DOE OSTI2016

Numerical evaluation of two-center integrals over Slater type orbitals

Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of matter. In this work, we develop algorithms for two-center overlap and two-center two-electron hybrid and Coulomb integrals which are calculated with help of translation method for STOs and some auxiliary functions by V. Magnasco’s group. We use Mathematica programming language to produce algorithms for these calculations. Numerical results for some quantum numbers are presented in the tables. Consequently, we compare our obtained numerical results with the other known literature results and other details of evaluation method are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

SU-E-T-465: Implementation of An Automated Collision Detection Program Using Open Source Software for the Pinnacle Treatment Planning System

Purpose: Potential collisions between the gantry head and the patient or table assembly are difficult to detect in most treatment planning systems. We have developed and implemented a novel software package for the representation of potential gantry collisions with the couch assembly at the time of treatment planning. Methods: Physical dimensions of the Varian Edge linear accelerator treatment head were measured and reproduced using the Visual Python display package. A script was developed for the Pinnacle treatment planning system to generate a file with the relevant couch, gantry, and isocenter positions for each beam in a planning trial. A python program was developed to parse the information from the TPS and produce a representative model of the couch/gantry system. Using the model and the Visual Python libraries, a rendering window is generated for each beam that allows the planner to evaluate the possibility of a collision. Results: Comparison against heuristic methods and direct verification on the machine validated the collision model generated by the software. Encounters of <1 cm between the gantry treatment head and table were visualized as collisions in our virtual model. Visual windows were created depicting the angle of collision for each beam, including the anticipated table coordinates. Visual rendering of a 6 arc trial with multiple couch positions was completed in under 1 minute, with network bandwidth being the primary bottleneck. Conclusion: The developed software allows for quick examination of possible collisions during the treatment planning process and helps to prevent major collisions prior to plan approval. The software can easily be implemented on future planning systems due to the versatility and platform independence of the Python programming language. Further integration of the software with the treatment planning system will allow the possibility of patient-gantry collision detection for a range of treatment machines.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

JaqalPaq v.1.1

Jaqal-pup (Jaqal Programming Utilities Project) is a high-level Python metaprogramming interface for Jaqal, a quantum programming language for near-term quantum hardware (see https://arxiv.org/abs/2003.09382 for a description of Jaqal). In addition to parsing and writing out Jaqal programs, it includes the ability to read in and write out quantum programs in other languages and frameworks, e.g. Qiskit (IBM), Quil (Rigetti), Cirq (Google), Q# (Microsoft), ProjectQ (ETH Zurich), and tket (Cambridge Quantum Computing). It implements a gate scheduler, an emulator of a small-scale quantum computer programmed using Jaqal, and tie-ins for other simulation back-ends. SAND2020-12710 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Russo, Antonio↗

DOE OSTI2021

Performance of Julia for High Energy Physics Analyses

We argue that the Julia programming language is a compelling alternative to currently more common implementations in Python and C++ for common data analysis workflows in high energy physics. We compare the speed of implementations of different workflows in Julia with those in Python and C++. Furthermore, our studies show that the Julia implementations are competitive for tasks that are dominated by computational load rather than data access. For work that is dominated by data access, we demonstrate an application with concurrent file reading and parallel data processing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

A reliable control system for measurement on film thickness in copper chemical mechanical planarization system

In recent years, a variety of film thickness measurement techniques for copper chemical mechanical planarization (CMP) are subsequently proposed. In this paper, the eddy-current technique is used. In the control system of the CMP tool developed in the State Key Laboratory of Tribology, there are in situ module and off-line module for measurement subsystem. The in situ module can get the thickness of copper film on wafer surface in real time, and accurately judge when the CMP process should stop. This is called end-point detection. The off-line module is used for multi-points measurement after CMP process, in order to know the thickness of remained copper film. The whole control system is structured with two levels, and the physical connection between the upper and the lower is achieved by the industrial Ethernet. The process flow includes calibration and measurement, and there are different algorithms for two modules. In the process of software development, C++ is chosen as the programming language, in combination with Qt OpenSource to design two modules’ GUI and OPC technology to implement the communication between the two levels. In addition, the drawing function is developed relying on Matlab, enriching the software functions of the off-line module. The result shows that the control system is running stably after repeated tests and practical operations for a long time.

42 ENGINEERING↗

DOE OSTI2016

The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions

A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Software development infrastructure for the HYBRID modeling and simulation project

One of the goals of the HYBRID modeling and simulation project is to assess the economic viability of hybrid systems in a market that contains renewable energy sources like wind. The idea is that it is possible for the nuclear plant to sell non-electric energy cushions, which absorb (at least partially) the volatility introduced by the renewable energy sources. This system is currently modeled in the Modelica programming language. To assess the economics of the system, an optimization procedure is trying to find the minimal cost of electricity production. The RAVEN code is used as a driver for the whole problem. It is assumed that at this stage, the HYBRID modeling and simulation framework can be classified as non-safety “research and development” software. The associated quality level is Quality Level 3 software. This imposes low requirements on quality control, testing and documentation. The quality level could change as the application development continues.Despite the low quality requirement level, a workflow for the HYBRID developers has been defined that include a coding standard and some documentation and testing requirements. The repository performs automated unit testing of contributed models. The automated testing is achieved via an open-source python script called BuildingsP from Lawrence Berkeley National Lab. BuildingsPy runs Modelica simulation tests using Dymola in an automated manner and generates and runs unit tests from Modelica scripts written by developers. In order to assure effective communication between the different national laboratories a biweekly videoconference has been set-up, where developers can report their progress and issues. In addition, periodic face-face meetings are organized intended to discuss high-level strategy decisions with management. A second means of communication is the developer email list. This is a list to which everybody can send emails that will be received by the collective of the developers and managers involved in the project. Thirdly, to exchange documents quickly, a SharePoint directory has been set-up. SharePoint allows teams and organizations to intelligently share, and collaborate on content from anywhere.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

New Software Architecture Options for the TCL Data Acquisition System

The Turbulent Combustion Laboratory (TCL) conducts research on combustion in turbulent flow environments. To conduct this research, the TCL utilizes several pulse lasers, a traversable wind tunnel, flow controllers, scientific grade CCD cameras, and numerous other components. Responsible for managing these different data-acquiring instruments and data processing components is the Data Acquisition (DAQ) software. However, the current system is constrained to running through VXI hardware—an instrument-computer interface—that is several years old, requiring the use of an outdated version of the visual programming language, LabVIEW. A new Acquisition System is being programmed which will borrow heavily from either a programming model known as the Current Value Table (CVT) System or another model known as the Server-Client System. The CVT System model is in essence, a giant spread sheet from which data or commands may be retrieved or written to, and the Server-Client System is based on network connections between a server and a client, very much like the Server-Client model of the Internet. Currently, the bare elements of a CVT DAQ Software have been implemented, consisting of client programs in addition to a server program that the CVT will run on. This system is being rigorously tested to evaluate the merits of pursuing the CVT System model and to uncover any potential flaws which may result in further implementation. If the CVT System is chosen, which is likely, then future work will consist of build up the system until enough client programs have been created to run the individual components of the lab. The advantages of such a System will be flexibility, portability, and polymorphism. Additionally, the new DAQ software will allow the Lab to replace the VXI with a newer instrument interface—the PXI—and take advantage of the capabilities of current and future versions of LabVIEW.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Home Energy Management System - VOLTTRON Integration

In most Home Energy Management Systems (HEMS) available in the market, different devices running different communication protocols cannot interact with each other and exchange information. As a result of this integration, the information about different devices running different communication protocol can be accessible by other agents and devices running on VOLTTRON platform. The integration process can be used by any HEMS available in the market regardless of the programming language they use. If the existing HEMS provides an Application Programming Interface (API) based on the RESTFul architecture, that API can be used for integration. Our candidate HEMS in this project is home-assistant (Hass). An agent is implemented which can communicate with the Hass API and receives information about the devices loaded on the API. The agent publishes the information it receives on the VOLTTRON message bus so other agents can have access to this information. On the other side, for each type of devices, an agent is implemented such as Climate Agent, Lock Agent, Switch Agent, Light Agent, etc. Each of these agents is subscribed to the messages published on the message bus about their associated devices. These agents can also change the status of the devices by sending appropriate service calls to the API. Other agents and services on the platform can also access this information and coordinate their decision-making process based on this information.

Zandi, Helia↗

DOE OSTI2022

pnnl/mcl-runtime

The Minos Computing Library (MCL) is a task-based programming language and runtime for extremely heterogeneous systems. MCL facilitates writing program for heterogeneous devices and porting applications across different systems and devices. MCL supports asynchronous execution of computing tasks on all available heterogeneous devices, including GPUs, FGPAs, fixed-point accelerators, and AI accelerators. MCL provides a high-level programming interface and automatically and autonomously performs resource management, load balancing, and locality-aware scheduling.

Central, PNNL Developer↗

DOE OSTI2017

Home Energy Management System - VOLTTRON Integration

Zandi, Helia↗

DOE OSTI2020

OpenACC unified programming environment for GPU and FPGA multi-hybrid acceleration

Attached accelerators have been frequently used in recent High Per- formance Computing (HPC) systems because of their high performance/power ratio. In particular, the Graphics Processing Unit (GPU) is the most popu- lar accelerator owing to its high peak FLOPS performance and high memory bandwidth supported by HBM2, etc. However, the performance of GPU depends highly on a large degree of SIMD parallelism and has difficulty sustaining a high performance on programs with frequent branch operations or a partially low degree of parallelism.By contrast, a Field Programmable Gate Array (FPGA) has received attention as a different type of accelerator than GPU as a fully reconfigurable processor fitting the target applications. The high performance of FPGA is mainly provided by a pipelined operation and optimized circuit suitable for any operation even with frequent conditional branches. We have been focusing on the flexibility of FPGA to compensate for the weakness of GPU. We believe that the coupling of GPU with FPGA can result in one of the most powerful accelerating platforms available.However, the program coding of GPU and FPGA coupling can be quite difficult for application users. Traditionally, CUDA by NVIDIA has been the most popular programming language with the largest share of GPUs used in HPC, whereas a hardware description language such as Verilog HDL has been used in FPGA programming. OpenCL coding has recently become available even on high-end FPGAs. Moreover, several recent studies have also enabled the OpenACC coding for use in FPGA. In this study, we provide a unified programming system based on OpenACC for a platform equipped with both GPU and FPGA aiming at the next-generation accelerated supercomputer framework. Our programming environment is called Multi-Hybrid OpenACC Translator (MHOAT), and in this paper, we describe the basic concept and prototype system of MHOAT based on an evaluation on the amount of coding required and the performance of a hybrid multi-device accelerated system.

Tsunashima, Ryuta↗

DOE OSTI2022

App2Net: Moving App Functions to Network & a Case Study on Low-latency Feedback

Recent advances in programmable networks enable custom processing of data at hundreds of gigabits per second. These advances can boost the performance of many distributed applications. Yet the high-level languages used by application developers are different from the data plane programming languages (such as P4 and NPL) used by network equipment. This language barrier slows innovation. Our hourglass-shaped architectural solution aims to lower this language barrier. This enables the application developer community to leverage programmable networks for achieving better performance. In this paper we propose a JSON-based intermediate representation to bridge the gap between applications and in-network computing. We demonstrate an instance of the solution in the context of a low-latency feedback application that enables SQL-based data filtering in a P4-based programmable environment. We also present a prototype compiler to convert an intermediate representation in JSON to P4 source.

Sankaran, Ganesh↗