PISCEES: Predicting Ice Sheet and Climate Evolution at Extreme Scales
No abstract prepared.
58 GEOSCIENCES↗
SEARCH · Engineering Papers
Results for “computer Codes Computer Programs”
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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Program structure-based blocking
Embodiments relate to program structure-based blocking. An aspect includes receiving source code corresponding to a computer program by a compiler of a computer system. Another aspect includes determining a prefetching section in the source code by a marking module of the compiler. Yet another aspect includes performing, by a blocking module of the compiler, blocking of instructions located in the prefetching section into instruction blocks, such that the instruction blocks of the prefetching section only contain instructions that are located in the prefetching section.
97 MATHEMATICS AND COMPUTING↗
Program structure-based blocking
Embodiments relate to program structure-based blocking. An aspect includes receiving source code corresponding to a computer program by a compiler of a computer system. Another aspect includes determining a prefetching section in the source code by a marking module of the compiler. Yet another aspect includes performing, by a blocking module of the compiler, blocking of instructions located in the prefetching section into instruction blocks, such that the instruction blocks of the prefetching section only contain instructions that are located in the prefetching section.
97 MATHEMATICS AND COMPUTING↗
Potential of the Julia Programming Language for High Energy Physics Computing
Research in high energy physics (HEP) requires huge amounts of computing and storage, putting strong constraints on the code speed and resource usage. To meet these requirements, a compiled high-performance language is typically used; while for physicists, who focus on the application when developing the code, better research productivity pleads for a high-level programming language. A popular approach consists of combining Python, used for the high-level interface, and C++, used for the computing intensive part of the code. A more convenient and efficient approach would be to use a language that provides both high-level programming and high-performance. The Julia programming language, developed at MIT especially to allow the use of a single language in research activities, has followed this path. In this paper the applicability of using the Julia language for HEP research is explored, covering the different aspects that are important for HEP code development: runtime performance, handling of large projects, interface with legacy code, distributed computing, training, and ease of programming. The study shows that the HEP community would benefit from a large scale adoption of this programming language. The HEP-specific foundation libraries that would need to be consolidated are identified.
97 MATHEMATICS AND COMPUTING↗
A Case Study with the HACCmk Kernel in SYCL
The SYCL standard specifies a cross-platform abstraction layer that enables programming of heterogeneous computing systems using standard C++ [1]. In the Open Computing Language (OpenCL) programming model, host and device codes are written in different languages [2 ]. To improve development productivity and performance portability, the SYCL programming model combines host and device codes for an application in a type-safe way. In this report, we are interested in applying the SYCL programming model to a computationally intensive routine derived from the Hardware Accelerated Cosmology Code (HACC) framework for a study on performance portability on a heterogeneous computing device. We use Intel® OneAPI toolkit [3] to build the OpenCL and SYCL programs, and evaluate the performance of both implementations on Intel® integrated GPUs. We find that the SYCL implementation can achieve the same performance as the OpenCL implementation after we specify a target backend for the compiler to build the SYCL program in offline compilation. Without the specification of a target backend, the runtime will have to compile intermediate device codes for a target platform. Such runtime overhead may become significant compared to the execution of a kernel on a target device. As the kernel routine is compute-bound, we evaluate the impact of the number of compute units upon the kernel’s raw performance using two GPUs. When the hardware resource is not underutilized, we can obtain almost linear performance speedup from 48 compute units to 72 compute units in offline compilation, which indicates that the number of compute units on a GPU are important to improving the raw performance of a compute-bound kernel. The experimental results show that SYCL is a promising programming model for heterogeneous computing. The remainder of the report is organized as follows: In Section II, we describe the SYCL programming model, the steps to map an OpenCL program to a SYCL program, and the architecture of an integrated GPU. Section III introduces the kernel routine, and presents the OpenCL and SYCL implementations of the kernel. In Section IV, we evaluate the performance of the implementations on the GPUs. Section V concludes the report.
97 MATHEMATICS AND COMPUTING↗
Practical methods to improve the development of computational software
The use of computation has become ubiquitous in science and engineering. As the complexity of computer codes has increased, so has the need for robust methods to minimize errors. Past work has show that the number of functional errors is related the number of commands that a code executes. Since the late 1960's, major participants in the field of computation have encouraged the development of best practices for programming to help reduce coder induced error, and this has lead to the emergence of 'software engineering' as a field of study. Best practices for coding and software production have now evolved and become common in the development of commercial software. These same techniques, however, are largely absent from the development of computational codes by research groups. Many of the best practice techniques from the professional software community would be easy for research groups in nuclear science and engineering to adopt. This paper outlines the history of software engineering, as well as issues in modern scientific computation, and recommends practices that should be adopted by individual scientific programmers and university research groups. (authors)
97 MATHEMATICS AND COMPUTING↗
Compiler-Assisted Detection of Transient Memory Errors
The probability of bit flips in hardware memory systems is projected to increase significantly as memory systems continue to scale in size and complexity. Effective hardware-based error detection and correction requires that the complete data path, involving all parts of the memory system, be protected with sufficient redundancy. First, this may be costly to employ on commodity computing platforms and second, even on high-end systems, protection against multi-bit errors may be lacking. Therefore, augmenting hardware error detection schemes with software techniques is of consider- able interest. In this paper, we consider software-level mechanisms to comprehensively detect transient memory faults. We develop novel compile-time algorithms to instrument application programs with checksum computation codes so as to detect memory errors. Unlike prior approaches that employ checksums on computational and architectural state, our scheme verifies every data access and works by tracking variables as they are produced and consumed. Experimental evaluation demonstrates that the proposed comprehensive error detection solution is viable as a completely software-only scheme. We also demonstrate that with limited hardware support, overheads of error detection can be further reduced.
def-use analysis↗
Second Generation Toolset for Calculation of Induced Seismicity Risk Profiles
This report describes development and demonstration of Generation 2 of the NRAP toolset for probabilistic analysis of risks from earthquakes that could potentially be induced by CO 2 injection. The capability to carry out hazard estimation at multiple sites and over multiple time periods of interested has been added to the integrated toolset. The capability to carry out hazard runs that utilize multiple simulations, based on random sampling of input parameter distributions, to bound hazard curve uncertainties has also been added. During Generation 2, an innovative method of constructing “nuisance fragility” functions for seismic ground motion has been developed. These functions are combined with seismic hazard curves to estimate of the risk of nuisance from ground shaking. The results described in this report demonstrate the functionality of the toolset based on its application to hypothetical scenarios involving one or two faults. Additional computer program development, including code parallelization, will be needed to bring the toolset up to full functionality. Alternative approaches to implementing the simulation-based approach to probabilistic induced seismicity hazard analysis are also outlined.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Code Verification and Solution Verification framework in pin-resolved neutron transport code MPACT
Program verification in scientific computing encompasses the application of formal and mathematical techniques to a scientific computing code for its credibility, accuracy, and validity. Code Verification identifies bugs and performance issues in the software development stage. Solution Verification assesses the applicability of the code and the accuracy of the solution to problems of interest. Both activities utilize application cases and quantify the error against prescribed acceptance criteria. However, simply executing more application cases does not guarantee stronger or more comprehensive credibility. Here, we establish a verification framework that involves Code Verification and Solution Verification, both of which work together such that the overarching goal of “converge to the correct answer for the intended application” can be reasonably inferred. The application of such a verification framework is demonstrated using the pin-resolved neutron transport code MPACT, where standard unit tests and regression tests are covered, and where the Method of Exact Solutions and the Method of Manufactured Solutions are successfully used. Additionally, the applicability of Method of Manufactured Solutions is extended to the OECD/NEA C5G7 benchmark problems of practical material and geometric configurations. Solution Verification activities are demonstrated on a practical hierarchy of application models of increasing complexity ranging from 2D pin cell problems to 3D assembly problems. The convergence behavior and rate of convergence with respect to each individual variable are studied and provided. This framework can be adapted broadly to other fields involving scientific computing codes.
97 MATHEMATICS AND COMPUTING↗
GEO3D - Three-Dimensional Computer Model of a Ground Source Heat Pump System
This file is the setup file for GEO3D, a computer program written by Jim Menart to simulate vertical wells in conjunction with a heat pump for ground source heat pump (GSHP) systems. This is a very detailed three-dimensional computer model. This program produces detailed heat transfer and temperature field information for a vertical GSHP system.
15 GEOTHERMAL ENERGY↗
Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations
In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.
Wigner distribution↗
Using redundant transactions to verify the correctness of program code execution
In the described embodiments, a processor core (e.g., a GPU core) receives a section of program code to be executed in a transaction from another entity in a computing device. The processor core sends the section of program code to one or more compute units in the processor core to be executed in a first transaction and concurrently executed in a second transaction, thereby creating a “redundant transaction pair.” When the first transaction and the second transaction are completed, the processor core compares a read-set of the first transaction to a read-set of the second transaction and compares a write-set of the first transaction to a write-set of the second transaction. When the read-sets and the write-sets match and no transactional error condition has occurred, the processor core allows results from the first transaction to be committed to an architectural state of the computing device.
Gurumurthi, Sudhanva↗
Direct numerical simulations of reacting flows with detailed chemistry using many-core/GPU acceleration
A new direct numerical simulation (DNS) code for multi-component gaseous reacting flows has been developed at KAUST, with the state-of-the-art programming model for next generation high performance computing platforms. The code, named KAUST Adaptive Reacting Flows Solver (KARFS), employs the MPI+X programming, and relies on Kokkos for “X” for performance portability to multi-core, many-core and GPUs, providing innovative software development while maintaining backward compatibility with established parallel models and legacy code. The capability and potential of KARFS to perform DNS of reacting flows with large, detailed reaction mechanisms is demonstrated with various model problems involving ignition and turbulent flame propagations with varying degrees of chemical complexities.
Computer Science↗
RELAP5-3D Developer Guidelines and Programming Practices
Our ultimate goal is to create and maintain RELAP5-3D as the best software tool available to analyze nuclear power plants. This begins with writing excellent programming and requires thorough testing. This document covers development of RELAP5-3D software, the behavior of the RELAP5-3D program that must be maintained, and code testing.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
RELAP5-3D Developer Guidelines and Programming Practices
Our ultimate goal is to create and maintain RELAP5-3D as the best software tool available to analyze nuclear power plants. This begins with writing excellent programming and requires thorough testing. This document covers development of RELAP5-3D software.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Edit distance for marked point processes revisited: An implementation by binary integer programming
We implement the edit distance for marked point processes [Suzuki et al., Int. J. Bifurcation Chaos 20, 3699–3708 (2010)] as a binary integer program. Compared with the previous implementation using minimum cost perfect matching, the proposed implementation has two advantages: first, by using the proposed implementation, we can apply a wide variety of software and hardware, even spin glasses and coherent ising machines, to calculate the edit distance for marked point processes; second, the proposed implementation runs faster than the previous implementation when the difference between the numbers of events in two time windows for a marked point process is large.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Gas Gun Model and Comparison to Experimental Performance of Pipe Guns Operating with Light Propellant Gases and Large Cryogenic Pellets
Injection of multiple large (~10 to 30 mm diameter) shattered pellets into ITER plasmas is presently part of the scheme planned to mitigate the deleterious effects of disruptions on the vessel components. To help in the design and optimize performance of the pellet injectors for this application, a model referred to as “the gas gun simulator” has been developed and benchmarked against experimental data. The computer code simulator is a Java program that models the gas-dynamics characteristics of a single-stage gas gun. Following a stepwise approach, the code utilizes a variety of input parameters to incrementally simulate and analyze the dynamics of the gun as the projectile is launched down the barrel. Using input data, the model can calculate gun performance based on physical characteristics, such as propellant-gas and fast-valve properties, barrel geometry, and pellet mass. Although the model is fundamentally generic, the present version is configured to accommodate cryogenic pellets composed of H2, D2, Ne, Ar, and mixtures of them and light propellant gases (H2, D2, and He). The pellets are solidified in situ in pipe guns that consist of stainless steel tubes and fast-acting valves that provide the propellant gas for pellet acceleration (to speeds ~200 to 700 m/s). The pellet speed is the key parameter in determining the response time of a shattered pellet system to a plasma disruption event. The calculated speeds from the code simulations of experiments were typically in excellent agreement with the measured values. With the gas gun simulator validated for many test shots and over a wide range of physical and operating parameters, it is a valuable tool for optimization of the injector design, including the fast valve design (orifice size and volume) for any operating pressure (~40 bar expected for the ITER application) and barrel length for any pellet size (mass, diameter, and length). Key design parameters and proposed values for the pellet injectors for the ITER disruption mitigation systems are discussed.
Combs, Stephen Kirk↗
Understanding and controlling capsule symmetry in near vacuum hohlraums at the National Ignition Facility
The near vacuum hohlraum platform is an inertial confinement fusion design at the National Ignition Facility (NIF) that uses the lowest practical density of helium gas of 30 μg/cc to fill the hohlraum, which is ten times lower than now used routinely. This has several advantages, such as high laser coupling; however, the inability to understand and simulate the symmetry of the imploded capsule has limited the use of this platform. This work presents the first simulations that are able to accurately capture the highly prolate implosion seen experimentally without unphysical, ad hoc model changes. While previous investigations attributed this asymmetry to multi-species interpenetration in the hohlraum, we find that this alone has little effect on symmetry. Instead, it is the presence of crossed-beam energy transfer (CBET), occurring with no applied wavelength shift between the laser beams, that increases the laser power to the inner cones and causes a more prolate implosion. The effect of CBET is increased in the simulation model when the hohlraum laser entrance hole hardware is included. Using this understanding, CBET is exploited by shifting the inner-beam wavelength by –0.75 Å (at 1ω) with respect to the outer-beams. This transfers laser power to the outer-beams in contrast to positive wavelength shifts as done routinely on NIF and produces a round capsule implosion in our simulations. Furthermore, this work shows the possibility of the near vacuum hohlraum as a viable experimental platform.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗