首页 > 最新文献

Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)最新文献

英文 中文
Methods For Creating XSEDE Compatible Clusters 创建XSEDE兼容集群的方法
Jeremy Fischer, R. Knepper, M. Standish, C. Stewart, Resa Alvord, D. Lifka, B. Hallock, Victor Hazlewood
The Extreme Science and Engineering Discovery Environment has created a suite of software that is collectively known as the basic XSEDE-compatible cluster build. It has been distributed as a Rocks roll for some time. It is now available as individual RPM packages, so that it can be downloaded and installed in portions as appropriate on existing and working clusters. In this paper, we explain the concept of the XSEDE-compatible cluster and explain how to install individual components as RPMs through use of Puppet and the XSEDE compatible cluster YUM repository.
极限科学与工程发现环境创建了一套统称为基本xsede兼容集群构建的软件。它作为摇滚唱片发行已经有一段时间了。它现在作为单独的RPM包提供,因此可以在现有的和工作的集群上下载和安装适当的部分。在本文中,我们解释了与XSEDE兼容的集群的概念,并解释了如何通过使用Puppet和与XSEDE兼容的集群YUM存储库将各个组件安装为rpm。
{"title":"Methods For Creating XSEDE Compatible Clusters","authors":"Jeremy Fischer, R. Knepper, M. Standish, C. Stewart, Resa Alvord, D. Lifka, B. Hallock, Victor Hazlewood","doi":"10.1145/2616498.2616578","DOIUrl":"https://doi.org/10.1145/2616498.2616578","url":null,"abstract":"The Extreme Science and Engineering Discovery Environment has created a suite of software that is collectively known as the basic XSEDE-compatible cluster build. It has been distributed as a Rocks roll for some time. It is now available as individual RPM packages, so that it can be downloaded and installed in portions as appropriate on existing and working clusters. In this paper, we explain the concept of the XSEDE-compatible cluster and explain how to install individual components as RPMs through use of Puppet and the XSEDE compatible cluster YUM repository.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"55 1","pages":"74:1-74:5"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77777223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
Accelerating Ab Initio Nucleon Structure Calculations with All-Mode-Averaging on Gordon Gordon上的全模平均加速从头算核子结构计算
M. Lin, Y. Aoki, T. Blum, T. Izubuchi, C. Jung, S. Ohta, E. Shintani, T. Yamazaki, S. Sasaki
The composition of nucleons has long been known to be sub-atomic particles called quarks and gluons, which interact through the strong force and theoretically can be described by Quantum Chromodynamics (QCD). Lattice QCD (LQCD), in which the continuous space-time is translated into grid points on a four-dimensional lattice and ab initio Monte Carlo simulations are performed, is by far the only model-independent method to study QCD with controllable errors. We report the successful application of a novel algorithm, All-Mode-Averaging, in the LQCD calculations of nucleon internal structure on the Gordon supercomputer our award of roughly 6 million service units through XSEDE. The application of AMA resulted in as much as a factor of 30 speedup in computational efficiency.
核子的组成一直被认为是亚原子粒子,称为夸克和胶子,它们通过强作用力相互作用,理论上可以用量子色动力学(QCD)来描述。晶格QCD (LQCD)是迄今为止研究误差可控的QCD的唯一一种模型无关的方法,它将连续时空转化为四维晶格上的网格点并进行从头算蒙特卡罗模拟。我们报告了一种新的算法,全模式平均,在戈登超级计算机上核子内部结构的LQCD计算的成功应用,我们通过XSEDE获得了大约600万个服务单位的奖励。AMA的应用使计算效率提高了30倍。
{"title":"Accelerating Ab Initio Nucleon Structure Calculations with All-Mode-Averaging on Gordon","authors":"M. Lin, Y. Aoki, T. Blum, T. Izubuchi, C. Jung, S. Ohta, E. Shintani, T. Yamazaki, S. Sasaki","doi":"10.1145/2616498.2616516","DOIUrl":"https://doi.org/10.1145/2616498.2616516","url":null,"abstract":"The composition of nucleons has long been known to be sub-atomic particles called quarks and gluons, which interact through the strong force and theoretically can be described by Quantum Chromodynamics (QCD). Lattice QCD (LQCD), in which the continuous space-time is translated into grid points on a four-dimensional lattice and ab initio Monte Carlo simulations are performed, is by far the only model-independent method to study QCD with controllable errors. We report the successful application of a novel algorithm, All-Mode-Averaging, in the LQCD calculations of nucleon internal structure on the Gordon supercomputer our award of roughly 6 million service units through XSEDE. The application of AMA resulted in as much as a factor of 30 speedup in computational efficiency.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"46 1","pages":"3:1-3:2"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81448307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An Introductory Course on Modeling and Simulation 建模与仿真入门课程
David M. Toth, J. Solka
We describe our experiences teaching CPSC 109 - Introduction to Modeling and Simulation, an introductory course that we developed [1]. The course fills one of two quantitative reasoning requirements for the general education program at the University of Mary Washington (UMW) and serves as one of two possible prerequisites for UMW's Computer Science 1 course [2]. It is also intended to serve as a bridge between computer science and other disciplines at UMW, particularly those in the natural and physical sciences. The course is based on the National Computational Science Institute (NCSI) [3] Introduction to Computational Thinking Workshop, but adds in an explicit emphasis on introductory programming concepts for several weeks to ensure adequate preparation for Computer Science 1. We discuss the tools the students use in the course, some assignments, and the projects that students have created at the end of the semester. In addition, we discuss a special version of the course we have created for students in UMW's honors program [4].
我们描述了我们教授CPSC 109 -建模与仿真入门课程的经验,这是我们开发的入门课程[1]。该课程满足玛丽华盛顿大学(University of Mary Washington, UMW)通识教育项目的两个定量推理要求之一,也是UMW计算机科学1课程的两个可能先决条件之一[2]。它还旨在成为UMW计算机科学与其他学科之间的桥梁,特别是自然科学和物理科学。该课程以国家计算科学研究所(NCSI)[3]计算思维入门研讨会为基础,但明确地强调了几个星期的入门编程概念,以确保为计算机科学1做好充分的准备。我们讨论学生在课程中使用的工具,一些作业,以及学生在学期结束时创建的项目。此外,我们还讨论了我们为UMW荣誉项目的学生创建的课程的一个特殊版本[4]。
{"title":"An Introductory Course on Modeling and Simulation","authors":"David M. Toth, J. Solka","doi":"10.1145/2616498.2616572","DOIUrl":"https://doi.org/10.1145/2616498.2616572","url":null,"abstract":"We describe our experiences teaching CPSC 109 - Introduction to Modeling and Simulation, an introductory course that we developed [1]. The course fills one of two quantitative reasoning requirements for the general education program at the University of Mary Washington (UMW) and serves as one of two possible prerequisites for UMW's Computer Science 1 course [2]. It is also intended to serve as a bridge between computer science and other disciplines at UMW, particularly those in the natural and physical sciences. The course is based on the National Computational Science Institute (NCSI) [3] Introduction to Computational Thinking Workshop, but adds in an explicit emphasis on introductory programming concepts for several weeks to ensure adequate preparation for Computer Science 1. We discuss the tools the students use in the course, some assignments, and the projects that students have created at the end of the semester. In addition, we discuss a special version of the course we have created for students in UMW's honors program [4].","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"215 1","pages":"67:1"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89188694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Slices: Provisioning Heterogeneous HPC Systems 切片:提供异构HPC系统
A. Merritt, N. Farooqui, M. Slawinska, Ada Gavrilovska, K. Schwan, Vishakha Gupta
High-end computing systems are becoming increasingly heterogeneous, with nodes comprised of multiple CPUs and accelerators, like GPGPUs, and with potential additional heterogeneity in memory configurations and network connectivities. Further, as we move to exascale systems, the view of their future use is one in which simulations co-run with online analytics or visualization methods, or where a high fidelity simulation may co-run with lower order methods and/or with programs performing uncertainty quantification. To explore and understand the challenges when multiple applications are mapped to heterogeneous machine resources, our research has developed methods that make it easy to construct 'virtual hardware platforms' comprised of sets of CPUs and GPGPUs custom-configured for applications when and as required. Specifically, the 'slicing' runtime presented in this paper manages for each application a set of resources, and at any one time, multiple such slices operate on shared underlying hardware. This paper describes the slicing abstraction and its ability to configure cluster hardware resources. It experiments with application scale-out, focusing on their computationally intensive GPGPU-based computations, and it evaluates cluster-level resource sharing across multiple slices on the Keeneland machine, an XSEDE resource.
高端计算系统正变得越来越异构,节点由多个cpu和加速器(如gpgpu)组成,并且在内存配置和网络连接方面可能存在额外的异构性。此外,随着我们转向百亿亿级系统,它们未来的用途是模拟与在线分析或可视化方法共同运行,或者高保真度模拟可能与低阶方法和/或执行不确定性量化的程序共同运行。为了探索和理解当多个应用程序映射到异构机器资源时所面临的挑战,我们的研究开发了一种方法,可以轻松构建由cpu和gpgpu组成的“虚拟硬件平台”,这些cpu和gpgpu是根据需要为应用程序定制的。具体来说,本文提出的“切片”运行时为每个应用程序管理一组资源,并且在任何时候,多个这样的切片在共享的底层硬件上操作。本文描述了切片抽象及其配置集群硬件资源的能力。它对应用程序的横向扩展进行了实验,重点关注基于gpgpu的计算密集型计算,并评估Keeneland机器(一种XSEDE资源)上的多个片之间的集群级资源共享。
{"title":"Slices: Provisioning Heterogeneous HPC Systems","authors":"A. Merritt, N. Farooqui, M. Slawinska, Ada Gavrilovska, K. Schwan, Vishakha Gupta","doi":"10.1145/2616498.2616531","DOIUrl":"https://doi.org/10.1145/2616498.2616531","url":null,"abstract":"High-end computing systems are becoming increasingly heterogeneous, with nodes comprised of multiple CPUs and accelerators, like GPGPUs, and with potential additional heterogeneity in memory configurations and network connectivities. Further, as we move to exascale systems, the view of their future use is one in which simulations co-run with online analytics or visualization methods, or where a high fidelity simulation may co-run with lower order methods and/or with programs performing uncertainty quantification. To explore and understand the challenges when multiple applications are mapped to heterogeneous machine resources, our research has developed methods that make it easy to construct 'virtual hardware platforms' comprised of sets of CPUs and GPGPUs custom-configured for applications when and as required. Specifically, the 'slicing' runtime presented in this paper manages for each application a set of resources, and at any one time, multiple such slices operate on shared underlying hardware. This paper describes the slicing abstraction and its ability to configure cluster hardware resources. It experiments with application scale-out, focusing on their computationally intensive GPGPU-based computations, and it evaluates cluster-level resource sharing across multiple slices on the Keeneland machine, an XSEDE resource.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"14 1 1","pages":"46:1-46:8"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89959303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
MS-FLUKSS and Its Application to Modeling Flows of Partially Ionized Plasma in the Heliosphere MS-FLUKSS及其在日球层部分电离等离子体流模拟中的应用
N. Pogorelov, S. Borovikov, J. Heerikhuisen, Tae K. Kim, I. Kryukov, G. Zank
Flows of partially ionized plasma are frequently characterized by the presence of both thermal and nonthermal populations of ions. This occurs, e. g., in the outer heliosphere -- the part of interstellar space beyond the solar system whose properties are determined by the solar wind (SW) interaction with the local interstellar medium (LISM). Understanding the behavior of such flows requires us to investigate a variety of physical phenomena occurring throughout the solar system. These include charge exchange processes between neutral and charged particles, the birth of pick-up ions (PUIs), the origin of energetic neutral atoms (ENAs), SW turbulence, etc. Collisions between atoms and ions in the heliospheric plasma are so rare that they should be modeled kinetically. PUIs born when LISM neutral atoms charge-exchange with SW ions represent a hot, non-equilibrium component and also require a kinetic treatment. The behavior of PUIs at the SW termination shock (TS) is of major importance for the interpretation of the puzzling data from the Voyager 1 and 2 spacecraft, which are now the only in situ space mission intended to investigate the boundary of the solar system. We have recently proposed an explanation of the sky-spanning "ribbon" of unexpectedly intense emissions of ENAs detected by the Interstellar Boundary Explorer (IBEX) mission. Numerical solution of these problems with the realistic boundary conditions provided by remote and in situ observations of the SW properties, requires the application of adaptive mesh refinement (AMR) technologies and petascale supercomputers. Supported by the NSF ITR program and various NASA projects, we have implemented these in our Multi-Scale FLUid-Kinetic Simulation Suite, which is a collection of problem-oriented routines incorporated into the Chombo AMR framework. For the next 5--10 years, heliophysics research is faced with an extraordinary opportunity that cannot be soon repeated. This is to make in situ measurements of the SW from the Sun to the heliospheric boundaries and, at the same time, extract information about the global behavior of the evolving heliosphere through ENA observations by IBEX. In this paper, we describe the application of new possibilities provided within our Extreme Science and Engineering Discovery Environment (XSEDE) project to model challenging space physics and astrophysics problems. We used XSEDE supercomputers to analyze flows of magnetized, rarefied, partially-ionized plasma, where neutral atoms experience resonant charge exchange and collisions with ions. We modeled the SW flows in the inner and outer heliosphere and compared our results with in situ measurements performed by the ACE, IBEX, and Voyager spacecraft.
部分电离等离子体的流动通常以离子的热和非热种群的存在为特征。例如,这种情况发生在外日球层——太阳系之外的星际空间的一部分,其性质由太阳风(SW)与当地星际介质(LISM)的相互作用决定。要理解这种流动的行为,我们需要研究整个太阳系中发生的各种物理现象。其中包括中性粒子和带电粒子之间的电荷交换过程,吸收离子(PUIs)的诞生,高能中性原子(ENAs)的起源,SW湍流等。在日球层等离子体中,原子和离子之间的碰撞非常罕见,因此应该用动力学模型来模拟。当LISM中性原子与SW离子进行电荷交换时产生的pui是一种热的、非平衡的组分,也需要动力学处理。在SW终端激波(TS)处pui的行为对于解释旅行者1号和2号航天器的令人困惑的数据具有重要意义,这是目前唯一旨在研究太阳系边界的原位空间任务。我们最近提出了一种解释,解释了星际边界探测器(IBEX)探测到的横跨天空的、意想不到的强烈ENAs辐射的“带状”。这些问题的数值解需要应用自适应网格细化(AMR)技术和千万亿次超级计算机,这些边界条件是由远程和现场观测的SW属性提供的。在NSF ITR项目和NASA多个项目的支持下,我们已经在我们的多尺度流体动力学仿真套件中实现了这些功能,该套件是包含在Chombo AMR框架中的面向问题的例程集合。在未来的5- 10年里,太阳物理学研究面临着一个不可能很快重复的非凡机遇。这是对从太阳到日球层边界的SW进行现场测量,同时,通过IBEX的ENA观测,提取有关日球层演变的全球行为的信息。在本文中,我们描述了在我们的极端科学与工程发现环境(XSEDE)项目中提供的新可能性的应用,以模拟具有挑战性的空间物理和天体物理问题。我们使用XSEDE超级计算机来分析磁化的、稀薄的、部分电离的等离子体流,其中中性原子经历共振电荷交换和与离子的碰撞。我们模拟了内外日球层的西南气流,并将我们的结果与ACE、IBEX和旅行者号航天器的原位测量结果进行了比较。
{"title":"MS-FLUKSS and Its Application to Modeling Flows of Partially Ionized Plasma in the Heliosphere","authors":"N. Pogorelov, S. Borovikov, J. Heerikhuisen, Tae K. Kim, I. Kryukov, G. Zank","doi":"10.1145/2616498.2616499","DOIUrl":"https://doi.org/10.1145/2616498.2616499","url":null,"abstract":"Flows of partially ionized plasma are frequently characterized by the presence of both thermal and nonthermal populations of ions. This occurs, e. g., in the outer heliosphere -- the part of interstellar space beyond the solar system whose properties are determined by the solar wind (SW) interaction with the local interstellar medium (LISM). Understanding the behavior of such flows requires us to investigate a variety of physical phenomena occurring throughout the solar system. These include charge exchange processes between neutral and charged particles, the birth of pick-up ions (PUIs), the origin of energetic neutral atoms (ENAs), SW turbulence, etc. Collisions between atoms and ions in the heliospheric plasma are so rare that they should be modeled kinetically. PUIs born when LISM neutral atoms charge-exchange with SW ions represent a hot, non-equilibrium component and also require a kinetic treatment. The behavior of PUIs at the SW termination shock (TS) is of major importance for the interpretation of the puzzling data from the Voyager 1 and 2 spacecraft, which are now the only in situ space mission intended to investigate the boundary of the solar system. We have recently proposed an explanation of the sky-spanning \"ribbon\" of unexpectedly intense emissions of ENAs detected by the Interstellar Boundary Explorer (IBEX) mission. Numerical solution of these problems with the realistic boundary conditions provided by remote and in situ observations of the SW properties, requires the application of adaptive mesh refinement (AMR) technologies and petascale supercomputers. Supported by the NSF ITR program and various NASA projects, we have implemented these in our Multi-Scale FLUid-Kinetic Simulation Suite, which is a collection of problem-oriented routines incorporated into the Chombo AMR framework. For the next 5--10 years, heliophysics research is faced with an extraordinary opportunity that cannot be soon repeated. This is to make in situ measurements of the SW from the Sun to the heliospheric boundaries and, at the same time, extract information about the global behavior of the evolving heliosphere through ENA observations by IBEX. In this paper, we describe the application of new possibilities provided within our Extreme Science and Engineering Discovery Environment (XSEDE) project to model challenging space physics and astrophysics problems. We used XSEDE supercomputers to analyze flows of magnetized, rarefied, partially-ionized plasma, where neutral atoms experience resonant charge exchange and collisions with ions. We modeled the SW flows in the inner and outer heliosphere and compared our results with in situ measurements performed by the ACE, IBEX, and Voyager spacecraft.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"30 1","pages":"22:1-22:8"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88059429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 13
Benefits of Cross Memory Attach for MPI libraries on HPC Clusters 跨内存附加对高性能计算集群上MPI库的好处
Jérôme Vienne
With the number of cores per node increasing in modern clusters, an efficient implementation of intra-node communications is critical for application performance. MPI libraries generally use shared memory mechanisms for communication inside the node, unfortunately this approach has some limitations for large messages. The release of Linux kernel 3.2 introduced Cross Memory Attach (CMA) which is a mechanism to improve the communication between MPI processes inside the same node. But, as this feature is not enabled by default inside MPI libraries supporting it, it could be left disabled by HPC administrators which leads to a loss of performance benefits to users. In this paper, we explain how to use CMA and present an evaluation of CMA using micro-benchmarks and NAS parallel benchmarks (NPB) which are a set of applications commonly used to evaluate parallel systems. Our performance evaluation reveals that CMA outperforms shared memory performance for large messages. Micro-benchmark level evaluations show that CMA can enhance the performance by as much as a factor of four. With NPB, we see up to 24.75% improvement in total execution time for FT and up to 24.08% for IS.
随着现代集群中每个节点的核心数量的增加,节点内通信的有效实现对应用程序性能至关重要。MPI库通常使用共享内存机制在节点内部进行通信,不幸的是,这种方法对于大型消息有一些限制。Linux内核3.2的发布引入了跨内存附加(CMA),这是一种改善同一节点内MPI进程之间通信的机制。但是,由于该特性在支持它的MPI库中没有默认启用,因此HPC管理员可能会禁用它,从而导致用户失去性能优势。在本文中,我们解释了如何使用CMA,并使用微基准测试和NAS并行基准测试(NPB)对CMA进行评估,这是一组通常用于评估并行系统的应用程序。我们的性能评估显示,对于大型消息,CMA的性能优于共享内存。微观基准水平的评估表明,CMA可以提高多达四倍的性能。使用NPB,我们看到FT的总执行时间提高了24.75%,IS的总执行时间提高了24.08%。
{"title":"Benefits of Cross Memory Attach for MPI libraries on HPC Clusters","authors":"Jérôme Vienne","doi":"10.1145/2616498.2616532","DOIUrl":"https://doi.org/10.1145/2616498.2616532","url":null,"abstract":"With the number of cores per node increasing in modern clusters, an efficient implementation of intra-node communications is critical for application performance. MPI libraries generally use shared memory mechanisms for communication inside the node, unfortunately this approach has some limitations for large messages. The release of Linux kernel 3.2 introduced Cross Memory Attach (CMA) which is a mechanism to improve the communication between MPI processes inside the same node. But, as this feature is not enabled by default inside MPI libraries supporting it, it could be left disabled by HPC administrators which leads to a loss of performance benefits to users. In this paper, we explain how to use CMA and present an evaluation of CMA using micro-benchmarks and NAS parallel benchmarks (NPB) which are a set of applications commonly used to evaluate parallel systems.\u0000 Our performance evaluation reveals that CMA outperforms shared memory performance for large messages. Micro-benchmark level evaluations show that CMA can enhance the performance by as much as a factor of four. With NPB, we see up to 24.75% improvement in total execution time for FT and up to 24.08% for IS.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"41 1","pages":"33:1-33:6"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86481502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 19
Photoionization of Ne8+ Ne8+的光电离
M. Pindzola, S. Abdel-Naby, C. Ballance
The time-dependent close-coupling method based on the Dirac equation is used to calculate single and double photoionization cross sections for Ne8+ in support of planned FLASH/DESY measurements. The fully correlated ground state radial wavefunction is obtained by solving a time independent inhomogeneous set of close-coupled equations. The repulsive interaction between electrons includes both Coulomb and Gaunt interactions. A Bessel function expression is used to include both dipole and quadruple effects on the radiation field interaction. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ in reasonably good agreement with distorted-wave and R-matrix results.
基于Dirac方程的时间依赖紧密耦合方法用于计算Ne8+的单和双光离截面,以支持计划的FLASH/DESY测量。通过求解一组时间无关的非齐次紧密耦合方程,得到了完全相关的基态径向波函数。电子间的排斥相互作用包括库仑相互作用和冈特相互作用。用贝塞尔函数表示辐射场相互作用中的偶极子效应和四重效应。时间相关的紧密耦合方程的传播得到了Ne8+的单和双光电离截面,与畸变波和r矩阵的结果相当吻合。
{"title":"Photoionization of Ne8+","authors":"M. Pindzola, S. Abdel-Naby, C. Ballance","doi":"10.1145/2616498.2616500","DOIUrl":"https://doi.org/10.1145/2616498.2616500","url":null,"abstract":"The time-dependent close-coupling method based on the Dirac equation is used to calculate single and double photoionization cross sections for Ne8+ in support of planned FLASH/DESY measurements. The fully correlated ground state radial wavefunction is obtained by solving a time independent inhomogeneous set of close-coupled equations. The repulsive interaction between electrons includes both Coulomb and Gaunt interactions. A Bessel function expression is used to include both dipole and quadruple effects on the radiation field interaction. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ in reasonably good agreement with distorted-wave and R-matrix results.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"185 1","pages":"23:1-23:2"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78048991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Large-scale Hydrodynamic Brownian Simulations on Multicore and GPU Architectures 基于多核和GPU架构的大规模流体动力学布朗模拟
M. G. Lopez, Mitchel D. Horton, Edmond Chow
We present here ongoing work to produce an implementation of Brownian dynamics simulation using a matrix-free method with hardware accelerators. This work describes the GPU acceleration of a smooth particle-mesh Ewald (SPME) algorithm which is used for the main part of the computation, previously ported to run on Intel Xeon Phi.
我们在这里介绍正在进行的工作,以产生一个实现布朗动力学模拟使用无矩阵的方法与硬件加速器。这项工作描述了平滑粒子网格Ewald (SPME)算法的GPU加速,该算法用于计算的主要部分,以前移植到Intel Xeon Phi上运行。
{"title":"Large-scale Hydrodynamic Brownian Simulations on Multicore and GPU Architectures","authors":"M. G. Lopez, Mitchel D. Horton, Edmond Chow","doi":"10.1145/2616498.2616523","DOIUrl":"https://doi.org/10.1145/2616498.2616523","url":null,"abstract":"We present here ongoing work to produce an implementation of Brownian dynamics simulation using a matrix-free method with hardware accelerators. This work describes the GPU acceleration of a smooth particle-mesh Ewald (SPME) algorithm which is used for the main part of the computation, previously ported to run on Intel Xeon Phi.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"100 1","pages":"9:1-9:2"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74723871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Oklahoma PetaStore: A Business Model for Big Data on a Small Budget 俄克拉何马PetaStore:小预算下的大数据商业模式
Patrick Calhoun, David Akin, Joshua Alexander, Brett Zimmerman, Fred Keller, Brandon George, Henry Neeman
In the era of Big Data, research productivity can be highly sensitive to the availability of large scale, long term archival storage. Unfortunately, many mass storage systems are prohibitively expensive at scales appropriate for individual institutions rather than for national centers. Furthermore, a key issue is the set of circumstances under which researchers can, and are willing to, adopt a centralized technology that, in a pure cost recovery model, might be, or might appear to be, more expensive than what the research teams could build on their own. This paper examines a business model that addresses these concerns in a comprehensive manner, distributing the costs among a funding agency, the institution and the research teams, thereby reducing the challenges faced by each.
在大数据时代,研究效率可能对大规模、长期档案存储的可用性高度敏感。不幸的是,许多大容量存储系统在适合单个机构而不是国家中心的规模上过于昂贵。此外,一个关键的问题是,在何种情况下,研究人员能够并且愿意采用一种集中的技术,在纯成本回收模型中,这种技术可能比研究团队自己开发的技术更昂贵,或者看起来更昂贵。本文研究了一种商业模式,它以一种全面的方式解决了这些问题,在资助机构、机构和研究团队之间分配成本,从而减少了每个机构面临的挑战。
{"title":"The Oklahoma PetaStore: A Business Model for Big Data on a Small Budget","authors":"Patrick Calhoun, David Akin, Joshua Alexander, Brett Zimmerman, Fred Keller, Brandon George, Henry Neeman","doi":"10.1145/2616498.2616548","DOIUrl":"https://doi.org/10.1145/2616498.2616548","url":null,"abstract":"In the era of Big Data, research productivity can be highly sensitive to the availability of large scale, long term archival storage. Unfortunately, many mass storage systems are prohibitively expensive at scales appropriate for individual institutions rather than for national centers. Furthermore, a key issue is the set of circumstances under which researchers can, and are willing to, adopt a centralized technology that, in a pure cost recovery model, might be, or might appear to be, more expensive than what the research teams could build on their own. This paper examines a business model that addresses these concerns in a comprehensive manner, distributing the costs among a funding agency, the institution and the research teams, thereby reducing the challenges faced by each.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"6 1","pages":"48:1-48:8"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80551384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Architecting an autograder for parallel code 为并行代码构建自动分级器
R. Carbunescu, Aditya Devarakonda, J. Demmel, S. Gordon, Jay Alameda, Susan Mehringer
As parallel computing grows and becomes an essential part of computer science, tools must be developed to help grade assignments for large courses, especially with the prevalence of Massive Open Online Courses (MOOCs) increasing in recent years. This paper describes some of the general challenges related to building an autograder for parallel code with general suggestions and sample design decisions covering presented assignments. The paper explores the results and experiences from using these autograders to enable the XSEDE 2013 and 2014 Parallel Computing Course using resources from SDSC-Trestles, TACC-Stampede and PSC-Blacklight.
随着并行计算的发展并成为计算机科学的重要组成部分,必须开发工具来帮助大型课程的作业评分,特别是近年来大规模开放在线课程(MOOCs)的普及。本文描述了一些与构建并行代码自动分级器相关的一般挑战,并提供了一般建议和示例设计决策,涵盖了所提出的作业。本文探讨了使用这些自动分级器来启用XSEDE 2013和2014并行计算课程的结果和经验,使用SDSC-Trestles, TACC-Stampede和PSC-Blacklight的资源。
{"title":"Architecting an autograder for parallel code","authors":"R. Carbunescu, Aditya Devarakonda, J. Demmel, S. Gordon, Jay Alameda, Susan Mehringer","doi":"10.1145/2616498.2616571","DOIUrl":"https://doi.org/10.1145/2616498.2616571","url":null,"abstract":"As parallel computing grows and becomes an essential part of computer science, tools must be developed to help grade assignments for large courses, especially with the prevalence of Massive Open Online Courses (MOOCs) increasing in recent years. This paper describes some of the general challenges related to building an autograder for parallel code with general suggestions and sample design decisions covering presented assignments. The paper explores the results and experiences from using these autograders to enable the XSEDE 2013 and 2014 Parallel Computing Course using resources from SDSC-Trestles, TACC-Stampede and PSC-Blacklight.","PeriodicalId":93364,"journal":{"name":"Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)","volume":"2014 1","pages":"68:1-68:8"},"PeriodicalIF":0.0,"publicationDate":"2014-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87748978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
期刊
Proceedings of XSEDE16 : Diversity, Big Data, and Science at Scale : July 17-21, 2016, Intercontinental Miami Hotel, Miami, Florida, USA. Conference on Extreme Science and Engineering Discovery Environment (5th : 2016 : Miami, Fla.)
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1