检索结果-内蒙古大学图书馆

SSRN 2025年

作者： Song, Qingguan Meng, Li Jiang, Shengli Zhang, Lei Mo, Zeyao Institute of Applied Physics and Computational Mathematics Beijing100088 China CAEP Software Center for High Performance Numerical Simulation Beijing100088 China Institute of Chemical Materials China Academy of Engineering Physics Mianyang621999 China School of Materials Science & Engineering Beijing Institute of Technology Beijing100081 China State Key Laboratory of Explosion Science and Safety Protection Beijing Institute of Technology Beijing100081 China

The cage-like structures provide a unique combination of strain energy for enhanced energy storage and hyperstatic constraints to stabilize the system, positioning them as promising pioneers in advancing high-energy-density materials (HEDMs). However, the shock response of cage-like HEDMs is highly complex and exhibits significant variability, posing a grand challenge in the underlying mechanisms. This study reveals that the shock response of cage-like HEDMs is regulated by the interplay between strain energy and structural symmetry, and introduces a physical model to quantitatively describe how they determine shock stability. The investigated systems include a comprehensive series of cage-like polynitrocubane HEDMs, with each carbon atom in the backbone progressively functionalized with nitro groups. Ab initio molecular dynamics (AIMD) simulations were employed to simulate dynamic and kinetic responses at shock velocities ranging from 8 km/s to 11 km/s, with validation provided by consistent Hugoniot curves that align with reported experimental data. Nitro substituents at the carbon-based cage structure, recognized as explosion functional groups, were found to substantially increase the system's strain energy. However, an increasing number of nitro substituents also intensified electrostatic repulsion among oxygen lone pairs, which weakens structural integrity and renders the material more susceptible to disassembly under shock conditions. Conversely, structural symmetry—including both the cage-like molecular conformation and spatial packing within the crystal lattice—was found to mitigate these destabilizing effects, effectively balancing the trade-off between energy storage and structural stability. Based on these findings, we propose a physical model that captures the essential factors driving shock initiation in cage-like HEDMs, offering new insights to inform the design and application of novel advanced HEDMs. © 2025, The Authors. All rights reserved.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Porting and optimizing VASP on the SW26010 18th

Porting and optimizing VASP on the SW26010

引用

18th International Conference on Algorithms and Architectures for parallel Processing - ICA3PP 2018 Collocated Workshops: ICA3PP 2018 Workshop on Intelligent Algorithms for Large-scale Complex Optimization Problems, IALCOP 2018, ICA3PP 2018 Workshop on Security and Privacy in Data Processing, SPDP 2018

作者： Li, Leisheng Sun, Qiao Liu, Xin Wu, Changmao Zhao, Haitao Zhang, Changyou Laboratory of Parallel Software and Computational Science Institute of Software Chinese Academy of Sciences Beijing China National Research Centre of Parallel Computer Engineering and Technology WuxiJiangsu China

ISBN: (纸本)9783030052331

VASP (Vienna Ab initio Simulation Package) is a prevalent first-principle software framework. It is so widely used that its runtime usually dominates the usage of current supercomputers. The porting and optimization of VASP to the Sunway TaihuLight supercomputer, a newly heterogeneous many-core platform based on SW26010 CPU, becomes of great importance. In this paper, we focus on the challenges in porting and optimizing VASP on the SW26010 CPU. Optimizations on three types of time-consuming kernels, which include matrix operations, FFT, and certain domain-specific computing primitives, are carried out base on thorough performance profiling. The experimental results are shown by the case of RELAX, where speedup of 2.90x and 4.48x is sustained respectively for both of the iterative diagonalization methods in VASP, RMM-DIIS (RMM) and block Davidson (DAV). © Springer Nature Switzerland AG 2018.

关键词： Density functional theory

来源：评论

学校读者我要写书评

暂无评论

High performance two-dimensional phase unwrapping on gpus 14

High performance two-dimensional phase unwrapping on gpus

引用

11th ACM International Conference on Computing Frontiers, CF 2014

作者： Wu, Zhenhua Ma, Wenjing Long, Guoping Li, Yucheng Tang, Qiuyan Wang, Zhongjie Lab. of Parallel Software and Computational Science Institute of Software University of Chinese China Science and Technology on Integrated Information System Laboratory Institute of Software Chinese Academy of Sciences China

ISBN: (纸本)9781450328708

Phase unwrapping is an important procedure in digital im-age and signal processing, and has been widely used in many elds, such as optical and microwave interferometry, mag-netic resonance imaging, synthetic aperture radar, adaptive optics. Phase unwrapping is a time consuming process with large amount of calculations and complicated data depen-dency. A number of algorithms with different features have been developed to solve this problem. Among all of them, Goldstein's algorithm is one of the most widely used algo-rithms, and has been included in some standard libraries (such as MATLAB). In this paper we propose an innovative implementation of Goldstein's algorithm on GPU. Several important approaches and optimizations are proposed for the GPU algorithm. For example, by introducing a local-matching step, we were able to parallelize the branchcut step effciently, getting much better performance than ex-isting work. With a cascaded propagation model, another important operation in the algorithm, floodfill, is able to make good use of the computing power of GPU. We tested our GPU algorithm on NVIDIA C2050 and K20 GPUs, and achieved speedup of up to 781 and 896 over the CPU imple-mentation respectively. To the best of our knowledge, this is the best performance of unwrap ever achieved on GPUs. © 2014 ACM.

关键词： MATLAB

来源：评论

学校读者我要写书评

暂无评论

ON MAXIMA OF DUAL FUNCTION OF THE CDT SUBPROBLEM

引用

Journal of computational Mathematics 2001年第2期19卷 113-124页

作者： Xiong-da Chen Ya-xiang Yuan Reserach Development Center of Parallel Software Institute of SoftwareBeijing 100080China State Key Laboratory of Scientific and Engineering Computing Institute of Computational Mathematics and Ssientific/Engineering ComputingAcademy of Mathematics and Systems SciencesChinese Academy of SciencesBeijing 100080China

Focuses on a study which determined the geometry meaning of the maxima of the CDT mathematical subproblem's dual function. Properties of trust region subproblem; Approximation of the CDT feasible region; Relations... 详细信息

关键词： trust region subproblem global minimizer approximation

来源：评论

学校读者我要写书评

暂无评论

On the robustness of median sampling in noisy evolutionary optimization

引用

science China(Information sciences) 2021年第5期64卷 32-44页

作者： Chao BIAN Chao QIAN Yang YU Ke TANG State Key Laboratory for Novel Software Technology Nanjing University Shenzhen Key Laboratory of Computational Intelligence Department of Computer Science and EngineeringSouthern University of Science and Technology

Evolutionary algorithms(EAs) are a sort of nature-inspired metaheuristics, which have wide applications in various practical optimization problems. In these problems, objective evaluations are usually inaccurate, because noise is almost inevitable in real world, and it is a crucial issue to weaken the negative effect caused by noise. Sampling is a popular strategy, which evaluates the objective a couple of times, and employs the mean of these evaluation results as an estimate of the objective value. In this work, we introduce a novel sampling method, median sampling, into EAs, and illustrate its properties and usefulness theoretically by solving OneMax, the problem of maximizing the number of 1 s in a bit string. Instead of the mean, median sampling employs the median of the evaluation results as an estimate. Through rigorous theoretical analysis on OneMax under the commonly used onebit noise, we show that median sampling reduces the expected runtime exponentially. Next, through two special noise models, we show that when the 2-quantile of the noisy fitness increases with the true fitness, median sampling can be better than mean sampling; otherwise,it may fail and mean sampling can be better. The results may guide us to employ median sampling properly in practical applications.

关键词： evolutionary algorithms noisy optimization median sampling computational complexity runtime analysis

来源：评论

学校读者我要写书评

暂无评论

Updating preconditioner for iterative method in time domain simulation of power systems

引用

science China(Technological sciences) 2011年第4期54卷 1024-1034页

作者： WANG Ke XUE Wei LIN HaiXiang XU ShiMing ZHENG WeiMin Laboratory of Parallel Software and Computational Science Institute of SoftwareChinese Academy of SciencesBeijing 000China Department of Computer Science and Technology Tsinghua UniversityBeijing 000China Tsinghua National Laboratory for Information Science and Technology(TNList) Beijing 100084China Delft Institute of Applied Mathematics Delft University of TechnologyDelft 2628 CDThe Netherlands

The numerical solution of the differential-algebraic equations(DAEs) involved in time domain simulation(TDS) of power systems requires the solution of a sequence of large scale and sparse linear *** use of iterative methods such as the Krylov subspace method is imperative for the solution of these large and sparse linear *** motivation of the present work is to develop a new algorithm to efficiently precondition the whole sequence of linear systems involved in *** an improvement of dishonest preconditioner(DP) strategy,updating preconditioner strategy(UP) is introduced to the field of TDS for the first *** idea of updating preconditioner strategy is based on the fact that the matrices in sequence of the linearized systems are continuous and there is only a slight difference between two consecutive *** order to make the linear system sequence in TDS suitable for UP strategy,a matrix transformation is applied to form a new linear sequence with a good shape for preconditioner *** algorithm proposed in this paper has been tested with 4 cases from real-life power systems in *** show that the proposed UP algorithm efficiently preconditions the sequence of linear systems and reduces 9%-61% the iteration count of the GMRES when compared with the DP method in all test *** experiments also show the effectiveness of UP when combined with simple preconditioner reconstruction strategies.

关键词： differential-algebraic equations GMRES updating preconditioner power system simulation

来源：评论

学校读者我要写书评

暂无评论

VolCE: An efficient tool for solving #SMT(LA) problems 2

VolCE: An efficient tool for solving #SMT(LA) problems

引用

2nd Workshop on Logics for Reasoning about Preferences, Uncertainty, and Vagueness, PRUV 2018

作者： Ge, Cunjing Ma, Feifei Zhang, Jian State Key Laboratory of Computer Science Institute of Software Chinese Academy of Sciences China Laboratory of Parallel Software and Computational Science Institute of Software Chinese Academy of Sciences China University of Chinese Academy of Sciences China

We present VolCE, a tool for computing and estimating the size of the solution space of SMT(LA) constraints. VolCE supports the SMT-LIB format. It integrates SMT solving with volume computation/estimation and integer solution counting for convex polytopes. Several effective techniques are adopted, which enable the tool to deal with high-dimensional problem instances efficiently. © 2018 CEUR-WS. All Rights Reserved.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Permission Dispatching Mechanism Inside and Outside of the Warranty Period for Equipment Maintenance Service System 1

引用

6th International Conference on Human Centered Computing, HCC 2020

作者： Liu, Yujie Wu, Wenjia Bo, Wen Han, Chen Zhang, Quanxin Zhang, Changyou Laboratory of Parallel Software and Computational Science Institute of Software Chinese Academy of Sciences Beijing China School of Computer Science and Technology Beijing Institute of Technology Beijing China

ISBN: (数字)9783030706265

ISBN: (纸本)9783030706258

It is a vital service process for equipment maintenance to ensure regular operation. The equipment transitions from inside of the warranty period to outside of the warranty period and the staff involved in the maintenance service will transform from manufacturer personnel to a mixed team of user teams and third-party companies. The permissions will change with their responsibilities in the equipment maintenance service system. In this paper, we take the maintenance service system of shield tunneling machine equipment as a case, which design the personnel structure of the mixed maintenance team and establish an authorization mechanism to support the multi-team work process of equipment maintenance. We design a user group-based hierarchical control strategy that combines the equipment maintenance service system’s resource structure. At the end of this paper, though the simulation-based on Colored Petri Net CPN Tools, we verify the correctness and effectiveness of the permission dispatching mechanism. © 2021, Springer Nature Switzerland AG.

关键词： Personnel

来源：评论

学校读者我要写书评

暂无评论

Performance Portability of Electron Repulsion Integrals and Their Related Methods across Peta to Exascale Architectures 24

Performance Portability of Electron Repulsion Integrals and ...

引用

Proceedings of the SC '24 Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis

作者： Tosaporn Sattasathuchana Peng Xu Dossay Oryspayev Colleen Bertoni Luke B. Roskop Mark S. Gordon Department of Chemistry University of Hawai'i at Manoa Honoluly HI United States Ames National Laboratory Department of Chemistry Iowa State University Ames IA United States Institute for Advanced Computational Science Stony Brook University Stony Brook NY United States Leadership Computing Facility Argonne National Laboratory Lemont IL United States HPC Systems Software Hewlett Packard Enterprise Bloomington MN United States

ISBN: (纸本)9798350355543

Entering the exascale era, graphical processing units (GPUs) have been developed by various vendors for large-scale HPC machines. Nine of the top 10 computers on the Top500 List have heterogeneous architectures containing GPUs as accelerators. To take advantage of these computational resources, it is essential to maintain a balance between performance and portability, i.e., making the codes functional, performant, and portable across GPU vendors. In this work, the efforts of restructuring and porting several key CPU kernels in the GAMESS quantum chemistry software package to AMD, Intel, and NVIDIA GPUs via an OpenMP API will be discussed. The use of the OpenMP directive model allows one to successfully run the same code across many GPUs of different vendors. However, since OpenMP is a high-level programming model, it relies on vendor implementations to handle the GPU code generation, and since implementations vary, there are large differences in performance even on the same hardware with different vendor compilers. Presented here are challenges faced during porting CPU code to GPU code with OpenMP, which other porting efforts may also face, such as memory limitations, major restructuring needed for code with branching, and differences in compiler optimizations and tuning. The strategies and approaches to address these challenges are discussed. In this work, the performance results across the supercomputing systems, Summit, Aurora, Frontier, and Perlmutter with a variety of vendor software stacks are presented.

关键词： Aurora

来源：评论

学校读者我要写书评

暂无评论

SSSP on GPU without atomic operation 2nd

SSSP on GPU without atomic operation

引用

2nd International Conference on Human Centered Computing, HCC 2016

作者： Wang, Feng Zhu, Liehuang Zhang, Changyou School of Computer Science and Technology Beijing Institute of Technology Beijing100081 China Laboratory of Parallel Software and Computational Science Institute of Software Chinese Academy of Science Beijing100190 China

ISBN: (纸本)9783319318530

Graph is a general theoretical model in many large scale data-driven applications. SSSP (Single Source Shortest Path) algorithm is a foundation for most important algorithms and applications. GPU remains its mainstream station in high performance computing with heterogeneous architecture computers. Because of the high parallelization of the GPU threads, the distances of the vertices of the GPU are updated by atomic operations to avoid the read and write errors. Most atomic operations are unnecessary since the read-write conflicts are rare in large graph. However, without atomic operations the result accuracy can’t be guaranteed. The atomic operations take large part of the running time of the program. To improve the performance of SSSP on GPU, we proposed an algorithm with data block iterations instead of atomic operations. The algorithm not only gets a high speed-up but also guarantees the accuracy of the result. Experimental results show that this SSSP algorithm gained a speedup of three times than the serial algorithm on CPU and more than ten times than the parallel algorithm on GPU with atomic operation. © Springer International Publishing Switzerland 2016.

关键词： Graphics processing unit

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：