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At least 703 records · Page 39

A GPU-accelerated Monte Carlo dose calculation platform and its application toward validating an MRI-guided radiation therapy beam model

Purpose: The clinical commissioning of IMRT subject to a magnetic field is challenging. The purpose of this work is to develop a GPU-accelerated Monte Carlo dose calculation platform based on PENELOPE and then use the platform to validate a vendor-provided MRIdian head model toward quality assurance of clinical IMRT treatment plans subject to a 0.35 T magnetic field. Methods: PENELOPE was first translated from FORTRAN to C++ and the result was confirmed to produce equivalent results to the original code. The C++ code was then adapted to CUDA in a workflow optimized for GPU architecture. The original code was expanded to include voxelized transport with Woodcock tracking, faster electron/positron propagation in a magnetic field, and several features that make gPENELOPE highly user-friendly. Moreover, the vendor-provided MRIdian head model was incorporated into the code in an effort to apply gPENELOPE as both an accurate and rapid dose validation system. A set of experimental measurements were performed on the MRIdian system to examine the accuracy of both the head model and gPENELOPE. Ultimately, gPENELOPE was applied toward independent validation of patient doses calculated by MRIdian’s KMC. Results: An acceleration factor of 152 was achieved in comparison to the original single-thread FORTRAN implementation with the original accuracy being preserved. For 16 treatment plans including stomach (4), lung (2), liver (3), adrenal gland (2), pancreas (2), spleen(1), mediastinum (1), and breast (1), the MRIdian dose calculation engine agrees with gPENELOPE with a mean gamma passing rate of 99.1% ± 0.6% (2%/2 mm). Conclusions: A Monte Carlo simulation platform was developed based on a GPU- accelerated version of PENELOPE. This platform was used to validate that both the vendor-provided head model and fast Monte Carlo engine used by the MRIdian system are accurate in modeling radiation transport in a patient using 2%/2 mm gamma criteria. Future applications of this platform will include dose validation and accumulation, IMRT optimization, and dosimetry system modeling for next generation MR-IGRT systems.

60 APPLIED LIFE SCIENCES↗

Optimizing the Weather Research and Forecasting Model with OpenMP Offload and Codee

Currently, the Weather Research and Forecasting model (WRF) utilizes shared memory (OpenMP) and distributed memory (MPI) parallelisms. To take advantage of GPU resources on the Perlmutter supercomputer at NERSC, we port parts of the computationally expensive routine Fast Spectral Bin Microphysics (FSBM) to NVIDIA GPUs using OpenMP device offloading directives. To facilitate this process, we explore a workflow for optimization which uses both runtime profilers and a static code inspection tool Codee to refactor the subroutine. We observe an 2.24x overall speedup for the CONUS-12km storm test case.

Wichitrnithed, Chayanon (Namo) [Odin Institute]↗

A Perspective of Energy Codes and Regulations for the Buildings of the Future

Today’s building energy codes focus on prescriptive requirements for features of buildings that are directly controlled by the design and construction teams and verifiable by municipal inspectors. Although these code requirements have had a significant impact, they fail to influence a large slice of the building energy use pie – including not only miscellaneous plug loads, cooking equipment and commercial/industrial processes, but the maintenance and optimization of the code-mandated systems as well. Currently, code compliance is verified only through the end of construction, and there are no limits or consequences for the actual energy use in an occupied building. In the future, our suite of energy regulations will likely expand to include building efficiency, energy use or carbon emission budgets over their full life cycle. Intelligent building systems, extensive renewable energy, and a transition from fossil fuel to electric heating systems will likely be required to meet ultra-low-energy targets. This paper lays out the authors’ perspectives on how buildings may evolve over the course of the 21st century and the roles that codes and regulations will play in shaping those buildings of the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Wind Turbine Design Optimization for Hydrogen Production

To help meet the need for inexpensive green fuels, we are working on wind turbine design optimization specifically for hydrogen production. We have thus far achieved a 1.53% decrease in LCOH as compared to a turbine optimized for LCOE using the same code, design variables, and models. We accomplished this by optimizing some components of the wind turbine tower, rotor, and drivetrain design with hydrogen production and costs in the design loop.

hydrogen↗

Trade Studies for a Manned High-Power Nuclear Electric Propulsion Vehicle

Nuclear electric propulsion (NEP) vehicles will be needed for future manned missions to Mars and beyond. Candidate vehicles must be identified through trade studies for further detailed design from a large array of possibilities. Genetic algorithms have proven their utility in conceptual design studies by effectively searching a large design space to pinpoint unique optimal designs. This research combines analysis codes for NEP subsystems with genetic algorithm-based optimization. Trade studies for a NEP reference mission to the asteroids were conducted to identify important trends, and to determine the effects of various technologies and subsystems on vehicle performance. It was found that the electric thruster type and thruster performance have a major impact on the achievable system performance, and that significant effort in thruster research and development is merited.

SanSoucie, Michael↗

Wind Turbine Design Optimization for Hydrogen Production

To help meet the need for inexpensive green fuels, we are working on wind turbine design optimization specifically for hydrogen production. We have thus far achieved a 1.53% decrease in LCOH as compared to a turbine optimized for LCOE using the same code, design variables, and models . We accomplished this by optimizing some components of the wind turbine tower, rotor, and drivetrain design with hydrogen production and costs in the design loop.

design↗

IC reports (2021)

We requested HPC support to continue research on the seismic waves generated by impacts. We used the following codes: (1) the Hybrid Optimization Software Suite (HOSS), developed at LANL. HOSS is based on a combined Finite and Discrete Element Method (FDEM). New material models are developed for the sedimentary rocks. HOSS has been recently benchmarked to iSale and FLAG codes. SPECFEM3D is an open-source code developed since the last 90s. It won the Gordon Bell award for best performance in 2003, was finalist again in 2008 for a run at 0.16 petaflops on 149,784 cores on the ‘Jaguar’ Cray system at Oak Ridge National Laboratory. It also won the BULL Joseph Fourier supercomputing award in 2010.; SW4 is a 4th-order finite difference code developed at LLNL which is currently actively developed to handle complex 3D models and to be ported on future exascale platforms. We assessed our need to a total of 3.9M CPU-hrs for year 1 and and 3.1 M for year 2.

79 ASTRONOMY AND ASTROPHYSICS↗

Multicriteria optimization of the spatial dose distribution

Purpose: Treatment planning for radiation therapy involves trade-offs with respect to different clinical goals. Typically, the dose distribution is evaluated based on few statistics and dose–volume histograms. Particularly for stereotactic treatments, the spatial dose distribution represents further criteria, e.g., when considering the gradient between subregions of volumes of interest. The authors have studied how to consider the spatial dose distribution using a multicriteria optimization approach.Methods: The authors have extended a stepwise multicriteria optimization approach to include criteria with respect to the local dose distribution. Based on a three-dimensional visualization of the dose the authors use a software tool allowing interaction with the dose distribution to map objectives with respect to its shape to a constrained optimization problem. Similarly, conflicting criteria are highlighted and the planner decides if and where to relax the shape of the dose distribution.Results: To demonstrate the potential of spatial multicriteria optimization, the tool was applied to a prostate and meningioma case. For the prostate case, local sparing of the rectal wall and shaping of a boost volume are achieved through local relaxations and while maintaining the remaining dose distribution. For the meningioma, target coverage is improved by compromising low dose conformality toward noncritical structures. A comparison of dose–volume histograms illustrates the importance of spatial information for achieving the trade-offs.Conclusions: The results show that it is possible to consider the location of conflicting criteria during treatment planning. Particularly, it is possible to conserve already achieved goals with respect to the dose distribution, to visualize potential trade-offs, and to relax constraints locally. Hence, the proposed approach facilitates a systematic exploration of the optimal shape of the dose distribution.

61 RADIATION PROTECTION AND DOSIMETRY↗

Towards Native Execution of Deep Learning on a Leadership-Class HPC System

Large parallel machines generally offer the best parallel performance with "native execution" that is achieved using codes developed with the optimized compilers, communication libraries, and runtimes offered on the machines. In this paper, we report and analyze performance results from native execution of deep learning on a leadership-class high-performance computing (HPC) system. Using our new code called DeepEx, we present a study of the parallel speed up and convergence rates of learning achieved with native parallel execution. In the trade-off between computational parallelism and synchronized convergence, we first focus on maximizing parallelism while still obtaining convergence. Scaling results are reported from execution on up to 15,000 GPUs using two scientific data sets from atom microscopy and protein folding applications, and also using the popular ImageNet data set. In terms of the traditional measure of parallel speed up, excellent scaling is observed up to 12,000 GPUs. Additionally, accounting for convergence rates of deep learning accuracy or error, a deep learning-specific metric called "learning speed up" is also tracked. The performance results indicate the need to evaluate parallel deep learning execution in terms of learning speed up, and point to additional directions for improved exploitation of high-end HPC systems.

Yoginath, Srikanth↗

ADETS User Manual

ADETS (Automated DEpletion Transport System) calculates coupled neutronic/isotopic results for nuclear systems and produces a large number of criticality and burnup results based on various material feed/removal specifications, power(s), and time intervals. ADETS is a fully automated tool that links the LANL MCNP Monte Carlo transport code with the SCALE system, specifically ORIGEN-ARP (radioactive decay and burnup code). Additionally, ADETS can compute the dose at various distances of the reactor using a point gamma source, whose characteristics are computed by ORIGEN-ARP. In addition, ADETS is fully coupled with the Uncertanty Quantification, Probabilistic Risk Assessment, Parameter Optimization and Data Analysis code RAVEN (developed at the Idaho National Laboratory as well). RAVEN is released with ADETS but MCNP and SCALE (ORIGEN-ARP) are not included.

42 ENGINEERING↗

Assessing the ASME Section III, Division 5, Class A Primary Load Design Rules Against Creep Notch Effects

This report assesses the ASME Section III, Division 5, Subsection HB, Subpart B rules covering the design and construction of high temperature Class A nuclear reactor components for their robustness against creep notch effects. The creep notch effect combines the effect of multiaxial stresses on material creep deformation and damage. This report considers both effects, including the potential for creep mechanism shifts affecting the extrapolation of design data from high stress, short-time experimental data to low stress, long time operating component conditions. The report summarizes the history of and literature on multiaxial creep and surveys the current ASME design rules dealing with multiaxial effects. The report then describes the results of two dedicated numerical studies, one assessing the robustness of the ASME rules against uncertainty in extrapolating from uniaxial creep test data to multiaxial component conditions and a second study examining the potential effects of a mechanism shift from high stress, dislocation-mediated creep to diffusion-dominated creep at lower stresses. The final conclusion of the report is that the ASME rules adequately guard against multiaxial creep failure, though there are several aspects of the Code that could be optimized to provide less over-conservative design predictions or to provide a more consistent design margin as a function of temperature and stress. In a few areas, particularly the potential for mechanism shifts outside the currently-available experimental data, the Code rules should be revaluated as additional experimental data and new modeling and simulation results become available

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Optimization Plugin Library

The Optimization Plugin library ("op") is a lightweight general optimization solver interface. The primary purpose of op is to simplify the process of integrating different optimization solvers (serial or parallel) with scalable parallel physics engines. By design it has several features that help make this a reality. The core abstraction interface was developed to encompass a large class of optimization problems in an optimizer-agnostic way. This enables us to describe the optimization problem once and then use a variety of supported "op" optimizers with ideally no code-changes. The abstraction interface is made up of lightweight wrappers that make it easy to integrate with existing simulation codes. This makes integration less intrusive and should minimize changes to existing physics codes. The "op" interface includes an assortment of utility methods that help specify parallel communication patterns as well as methods to convert from optimization-specific interfaces to the more general "op" interface. Lastly a dynamic library linking interface is provided to allow for use of proprietary optimization engines without explicit reference in the source code, along with standard shared library interfaces for opensource engines.

Jekel, CharlesF↗

Development of array-type prompt gamma measurement system for in vivo range verification in proton therapy

Purpose: In vivo range verification is one of the most important parts of proton therapy to fully utilize its benefits delivering high radiation dose to tumor, while sparing the normal tissue with the so-called Bragg peak. Currently, however, range verification method is not used in clinics. The purpose of the present study is to optimize and evaluate the configuration of an array-type prompt gamma measurement system on determining distal dose edge for in vivo range verification of proton therapy. Methods: To effectively measure the prompt gammas against the background gammas, the Monte Carlo simulations with the MCNPX code were employed in optimizing the configuration of the measurement system, and the Monte Carlo method was also used to understand the effect of the background gammas, mainly neutron capture gammas, in the measured gamma distribution. To reduce the effect of the background gammas, the optimized energy window of 4-10 MeV in measuring the prompt gammas was employed. A parameterized source was used to maximize computation speed in the optimization study. A simplified test measurement system, using only one detector moving from one measurement location to the next, was constructed and applied to therapeutic proton beams of 80-220 MeV. For accurate determination of the distal dose edge, the sigmoidal curve-fitting method was applied to the measured distributions of the prompt gammas, and then, the location of the half-value between the maximum and minimum value in the curve-fitting was determined as the distal dose edge and compared with the beam range assessed by the proton dose distribution. Results: The parameterized source term employed in optimization process improved the calculation speed by up to {approx}300 times. The optimization study indicates that an array-type measurement system with 3, 2, 2, and 150 mm for scintillator thickness, slit width, septal thickness, and slit length, respectively, can effectively measure the prompt gamma distributions minimizing the contribution of background gammas. The present results show that a few hundred counts of prompt gammas can be easily obtained by measuring 10 s at each measurement location for proton beams of {approx}4 nA. The distal dose edges determined by the prompt gamma distribution are 5.45, 14.73, and 27.74 cm for proton beams of 5.17 (80 MeV), 14.99 (150 MeV), and 27.38 (220 MeV) cm, respectively. Conclusions: The results show that the array-type measurement system can measure prompt gamma distributions from a therapeutic proton beam within a short measurement time, and that the distal dose edge can be determined within a few millimeters of error without using any sophisticated analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Global Data Re-allocation via Communication Aggregation in Chapel

Chapel is a parallel programming language designed to improve the productivity and ease of use of conventional and parallel computers. This language currently delivers sub optimal performance when executing codes that perform global data re-allocation operations on distributed memory architectures. This is mainly due to data communication that is done without aggregation (one message for each remote array element). In this work, we analyze Chapel's standard Block and Cyclic distribution modules and optimize the communication routines for array assignments by performing aggregation. Thanks to the expressive power of Chapel, the compiler and runtime have enough information to do communication aggregation without user intervention. The runtime relies on the low-level GAS Net networking layer, whose versions of one-sided bulk put/get routines that support strides are particularly useful for us. Experimental results conducted on Hector (a Cray XE6) and Jaguar (Cray XK6)reveal that the implemented techniques can lead to significant reductions in communication time.

Sanz, Alberto↗

Supersonic airfoil optimization

A procedure for the optimization of supersonic airfoils is presented. A nonlinear, full-potential solver (NCOREL) is coupled with a numerical optimizer (CONMIN). The NCOREL code is a three-dimensional supersonic marching method, however, only two-dimensional (conical) results are used for the airfoil problem. Each airfoil evaluated in the NCOREL aerodynamic code is composed of a linear combination of user-specified basis airfoils. The weighting factors of the basis airfoils plus the angle of attack form the design variable vector. The inviscid drag coefficient is minimized subject to lift and crossflow Mach number gradient constraints. The optimization strategy is found to be extremely important for the efficient determination of an optimum airfoil.

Pittman, J. L.↗