High-Performance Scientific Computing First JARA-HPC Symposium, JHPCS 2016, Aachen, Germany, October 4-5, 2016, Revised Selected Papers

This book constitutes the thoroughly refereed post-conference proceedings of the First JARA High-Performance Computing Symposium, JARA-HPC 2016, held in Aachen, Germany, in October 2016.The 21 full papers presented were carefully reviewed and selected from 26 submissions. They cover many diverse top...

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Bibliographic Details
Main Authors Di Napoli, Edoardo, Hermanns, Marc-André, Iliev, Hristo, Lintermann, Andreas, Peyser, Alexander
Format eBook Conference Proceeding
LanguageEnglish
Published Cham Springer Nature 2017
Springer International Publishing AG
Springer International Publishing
Springer
Edition1
SeriesLecture Notes in Computer Science
Subjects
Algorithm Analysis and Problem Complexity
Computation by Abstract Devices
Computer Communication Networks
Computer programming, programs, data
Computer Science
High performance computing
High performance computing-Congresses
Information Systems Applications (incl. Internet)
Programming Techniques
Software Engineering
Online AccessGet full text
ISBN9783319538624
3319538624
9783319538617
3319538616
ISSN0302-9743
1611-3349
DOI10.1007/978-3-319-53862-4

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Table of Contents:
  • Intro -- Preface -- Organization -- Invited Talk (Abstract) -- Parallel Programming for the 21st Century -- Contents -- Efficient HPC-Optimized Multi-Physics Coupling Strategies in CFD -- Partitioned High Performance Code Coupling Applied to CFD -- 1 Introduction -- 2 In Situ Observations -- 3 Toy Model -- 4 Conclusion -- References -- Dynamic Load Balancing for Large-Scale Multiphysics Simulations -- 1 Introduction -- 2 Static Load Balancing -- 3 Dynamic Load Balancing -- 3.1 Workload Modeling -- 3.2 Intelligent Remapping -- 4 Performance Evaluation -- 4.1 Immersed Boundary Method -- 4.2 IB Workload Modeling -- 4.3 Load Balancing Threshold -- 4.4 Nose Landing Gear -- 4.5 Full Car Model -- 5 Discussion -- 6 Summary and Future Work -- References -- On the Significance of Exposure Time in Computational Blood Damage Estimation -- 1 Introduction -- 2 Methods -- 3 Results -- 3.1 Blood Flow Simulations -- 3.2 Hemolysis Simulations -- 4 Discussion -- 5 Conclusion -- References -- A Partitioned Methodology for Conjugate Heat Transfer on Dynamic Structures -- 1 Introduction -- 2 Mathematical Modelling -- 2.1 Governing Equations -- 2.2 Conjugate Heat Transfer -- 3 Numerical Methodology -- 3.1 Finite Element Method -- 3.2 Coupling Approach -- 4 Numerical Results -- 4.1 Heated Cylinder -- 4.2 Flat-Plate -- 4.3 Parallel Efficiency -- 5 Conclusions and Future Work -- References -- Farfield Noise Prediction Using Large-Scale Lattice-Boltzmann Simulations -- Abstract -- 1 Introduction -- 2 Numerical Method -- 3 Simulations -- 3.1 Isolated Nose Landing Gear -- 3.2 Full-Scale Aircraft in Landing Configuration -- 4 Conclusion -- References -- FEniCS-HPC: Coupled Multiphysics in Computational Fluid Dynamics -- 1 Introduction -- 2 The FEniCS-HPC Framework -- 3 Mathematical Model and Numerical Methods -- 3.1 Conservation Equations -- 3.2 Fluid-Structure Interaction
  • 3.3 Finite Element Approximation for the Pure Fluid Case -- 3.4 Turbulent Flow -- 3.5 Contact Model -- 3.6 Mesh Smoothing Algorithms -- 4 Multiphysics in Computational Fluid Dynamics -- 4.1 Heart Biomechanics -- 4.2 Human Phonation -- 4.3 Aeroacoustics -- References -- The Direct-Hybrid Method for Computational Aeroacoustics on HPC Systems -- 1 Introduction -- 2 The Direct-Hybrid Method -- 3 Governing Equations -- 4 Numerical Methods -- 5 Results -- 6 Conclusions -- References -- A Novel Approach for Efficient Storage and Retrieval of Tabulated Chemistry in Reactive Flow Simulations -- 1 Introduction -- 2 Flatkernel Approach -- 2.1 Flatkernel Generation -- 2.2 Flatkernel Access -- 3 Reactive Hydrogen Jet in a Turbulent Vitiated Cross Flow -- 3.1 Case Description -- 3.2 Results and Discussion -- 4 Summary -- References -- Multi-scale Coupling for Predictive Injector Simulations -- 1 Introduction -- 2 Numerical Framework -- 3 Application Setup and Coupling -- 3.1 ``Spray A'' Case -- 3.2 Coupling Interface Between Nozzle Internal Flow and Primary Breakup -- 3.3 Coupling Interface Between Primary Breakup and Secondary Breakup -- 4 Results and Discussion -- 5 Conclusions -- References -- Domain-Specific Applications and High-Performance Computing -- Ab Initio Description of Optoelectronic Properties at Defective Interfaces in Solar Cells -- 1 Introduction -- 2 Method -- 2.1 Atomic Structure Calculations -- 2.2 Electronic Structure Calculations -- 2.3 Optical Calculations -- 3 Results -- 3.1 A-Si:H -- 3.2 C-Si/a-Si:H Interface -- 4 Computational Costs -- 5 Conclusions -- References -- Scale Bridging Simulations of Large Elastic Deformations and Bainitic Transformations -- 1 Introduction -- 2 Nonlinear Elasticity in Phase Field Crystal Models and Comparison to ab initio Simulations -- 2.1 Modeling Approach -- 2.2 One-Dimensional Nonlinear Elasticity
  • 2.3 Three-Dimensional Nonlinear Elasticity for bcc Materials -- 2.4 Comparison with ab initio Simulations and Continuum Modeling -- 3 Phase Field Model of Bainite Formation -- 3.1 Multi Phase Field Modeling -- 3.2 Results -- 4 Near-Tip Segregation at a Mode I Crack -- 5 GPU Implementation -- 6 Conclusions -- References -- Ab Initio Modelling of Electrode Material Properties -- 1 Introduction -- 2 Methods -- 3 Results -- 4 Summary and conclusions -- References -- Overlapping of Communication and Computation in nb3dfft for 3D Fast Fourier Transformations -- 1 Introduction -- 2 Pseudo-spectral Algorithm -- 3 Overlapping Communication and Computation -- 4 Results -- 5 Conclusion -- References -- Towards Simulating Data-Driven Brain Models at the Point Neuron Level on Petascale Computers -- 1 Introduction -- 2 Contribution -- 3 Methods -- 3.1 PointBrainH5 -- 3.2 Implementation -- 3.3 RTC Algorithm -- 4 Performance Results -- 5 Functionality -- 6 Summary -- References -- Parallel Adaptive Integration in High-Performance Functional Renormalization Group Computations -- 1 Introduction -- 2 The fRG Method and the Truncated Unity Approach -- 3 Adaptive Integration A-La Clenshaw-Curtis -- 4 Parallel Implementation -- 5 Results and Conclusions -- References -- Performance Portability -- Performance Optimization of Parallel Applications in Diverse On-Demand Development Teams -- 1 Introduction -- 2 Mission Statement -- 2.1 Related Activities -- 3 Case Study: psOpen -- 4 Case Study: MP2C -- 5 Conclusion -- References -- Hybrid CPU-GPU Generation of the Hamiltonian and Overlap Matrices in FLAPW Methods -- 1 Introduction -- 1.1 DFT, FLAPW and the H and S Matrices -- 2 Algorithm -- 3 Software Re-engineering and Performance Portability -- 4 Experimental Results -- 4.1 Fine-Tuning for Performance and Scalability -- 5 Conclusions and Future Work -- References
  • Visualizing Performance Data with Respect to the Simulated Geometry -- 1 Introduction -- 2 Related Work -- 3 Nomenclature: Performance Profiles, Severity Views -- 4 Detecting Large-Impact, Large-Variation Views -- 5 Interactive Visualizations -- 5.1 Performance Metrics and Call-Path Tree Widgets -- 5.2 Visualizing Performance Data in Its Spatial Context -- 6 Results -- 7 Conclusion and Future Work -- References -- Provenance Tracking -- Framework for Sharing of Highly Resolved Turbulence Simulation Data -- 1 Introduction -- 2 State-of-the-Art and Motivation -- 3 Highly Resolved Turbulence Simulation -- 4 Data Sharing Framework -- 5 Conclusion -- References -- UniProv: A Flexible Provenance Tracking System for UNICORE -- 1 Introduction -- 2 Workflows and Provenance -- 2.1 Scientific Workflow Systems -- 2.2 Related Work -- 2.3 Neuroimaging Workflows with UNICORE -- 3 UniProv Provenance Management -- 3.1 Implementation -- 3.2 Flexible Extensibility -- 3.3 Provenance Repository -- 4 Conclusion -- 5 Future Work -- References -- A Collaborative Simulation-Analysis Workflow for Computational Neuroscience Using HPC -- 1 Introduction -- 2 Workflow -- 3 Discussion -- References -- Author Index