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A Massively Parallel Semicoarsening Multigrid for 3D Reservoir Simulation on Multi-core and Multi-GPU Architectures
Online Presentations | 04 Feb 2016 | Contributor(s):: Abdulrahman Manea
In this work, we have designed and implemented a massively parallel version of the Semicoarsening Black Box Multigrid Solver [1], which is capable of handling highly heterogeneous and anisotropic 3D reservoirs, on a parallel architecture with multiple GPU’s. For comparison purposes, the...
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A Performance Comparison of Algebraic Multigrid Preconditioners on GPUs and MIC
Online Presentations | 04 Feb 2016 | Contributor(s):: Karl Rupp
Algebraic multigrid (AMG) preconditioners for accelerators such as graphics processing units (GPUs) and Intel's many-integrated core (MIC) architecture typically require a careful, problem-dependent trade-off between efficient hardware use, robustness, and convergence rate in order to...
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Advanced Parallel CPU Programming Part 1: OmpSs Quick Overview
Online Presentations | 29 Aug 2013 | Contributor(s):: NanoBio Node, Xavier Teruel
High Performance Computing --> Some basic concepts, Supercomputers nowadays, Parallel programming models OmpSs Introduction --> OmpSs main features, A Practical Example: Cholesky factorization BSC’s Implementation --> Mercurium Compiler, Nanos++ Runtime Library, Visualization Tools
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Advanced Parallel CPU Programming Part 2: Fundamentals of OmpSs
Online Presentations | 21 Aug 2013 | Contributor(s):: Xavier Teruel
Tasking and Synchronization --> Data Sharing Attributes, Dependence Model, Other Tasking Directives Clauses, Taskwait, Synchronization, Outlined Task Syntax; Memory Regions, Nesting and Dependences --> Memory regions and dependences, Nested tasks and dependences, Using dependence sentinels;...
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Ahmed-Amine Homman
https://nanohub.org/members/82074
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Amir Hossein Saeedinia
https://nanohub.org/members/99546
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Atomistic Modeling and Simulation Tools for Nanoelectronics and their Deployment on nanoHUB.org
Online Presentations | 16 Dec 2010 | Contributor(s):: Gerhard Klimeck
At the nanometer scale the concepts of device and material meet and a new device is a new material and vice versa. While atomistic device representations are novel to device physicists, the semiconductor materials modeling community usually treats infinitely periodic structures. Two electronic...
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Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part I - Models and Benchmarks
Papers | 14 Jan 2008 | Contributor(s):: Gerhard Klimeck, Shaikh S. Ahmed, Neerav Kharche, Hansang Bae, Steven Clark, Benjamin P Haley, Maxim Naumov, Hoon Ryu, Faisal Saied, marta prada, Marek Korkusinski, Timothy Boykin
Device physics and material science meet at the atomic scale of novel nanostructured semiconductors, and the distinction between new device or new material is blurred. Not only the quantum-mechanical effects in the electronic states of the device but also the granular atomistic representation of...
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Aytekin Gel
https://nanohub.org/members/327168
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Band Structure Lab: First-Time User Guide
Teaching Materials | 15 Jun 2009 | Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck
This document provides useful information about Band Structure Lab. First-time users will find basic ideas about the physics behind the tool such as band formation, the Hamiltonian description, and other aspects. Additionally, we provide explanations of the input settings and the results of the...
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Blue Waters: Sustained Petascale Computing
Online Presentations | 29 Jan 2011 | Contributor(s):: Cristina Beldica
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Brenden William Hamilton
PhD student in Materials Engineering at Purdue with a focus in shock response of materials and energetic materials. Current works include energy localization and transport, as well as...
https://nanohub.org/members/121311
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Challenges and Strategies for High End Computing
Online Presentations | 20 Dec 2007 | Contributor(s):: Katherine A. Yelick
This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.
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Cyber Infrastructure Days at Purdue University
Workshops | 31 Jan 2011
Purdue CI Days 2010 showcases technologies to enhance research, teaching and research funding. The program focus is on how just about any faculty member, research staffer, or graduate student can benefit from these technologies.
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Daniel Ioan
https://nanohub.org/members/92115
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Darren K Adams
https://nanohub.org/members/180825
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Designing Machine Learning Surrogates for Molecular Dynamics Simulations
Online Presentations | 25 Nov 2021 | Contributor(s):: JCS Kadupitiya
Molecular dynamics (MD) simulations accelerated by high-performance computing (HPC) methods are powerful tools for investigating and extracting the microscopic mechanisms characterizing the properties of soft materials such as self-assembled nanoparticles, virus capsids, confined electrolytes,...
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Emerging Opportunities, Challenges, and Applications in Exascale Computing
Online Presentations | 10 Mar 2011 | Contributor(s):: Ananth Grama
The move towards exascale computing platforms (capable of 10^18 floating point operations) poses tremendous challenges, while presenting opportunities for foundational advances in a variety of application domains. In this talk, I will describe various technical issues that must be overcome to...
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Engineering at the nanometer scale: Is it a new material or a new device?
Online Presentations | 06 Nov 2007 | Contributor(s):: Gerhard Klimeck
This seminar will overview NEMO 3D simulation capabilities and its deployment on the nanoHUB as well as an overview of the nanoHUB impact on the community.
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Excellence in Computer Simulation
Workshops | 19 Dec 2007 | Contributor(s):: Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman
Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology development and manufacturing. The successes of computational science and engineering (CSE) over the...