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Nanoparticle and Colloidal Simulations with Molecular Dynamics
out of 5 stars
05 Dec 2008 | | Contributor(s):: Steve Plimpton
Modeling nanoparticle or colloidal systems in a molecular dynamics (MD) code requires coarse-graining on several levels to achieve meaningful simulation times for study of rheological and other manufacturing properties. These include treating colloids as single particles, moving from explicit to...
25 Nov 2008 | | Contributor(s):: Seung-Jai Min
This tutorial consists of three parts. First, we will discuss abouthow OpenMP is typically used and explain OpenMP programming model. Second, we will describe important OpenMP constructs and data enviroments. Finally, we will show a simple example to illustrate how OpenMP APIs are used to...
Purdue School on High Performance and Parallel Computing
24 Nov 2008 | | Contributor(s):: Alejandro Strachan, Faisal Saied
The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will address current hardware and software technologies and trends for parallel computing and their...
24 Nov 2008 | | Contributor(s):: Alejandro Strachan
Opening remarks for the Purdue School on High Performance and Parallel Computing.
Introduction to Parallel Programming with MPI
24 Nov 2008 | | Contributor(s):: David Seaman
Single-session course illustrating message-passing techniques. The examples include point-to-point and collective communication using blocking and nonblocking transmission. One application illustrates the manager/worker model with buffered communications. Code examples provided in C, C++,...
Software Productivity Tools
This presentation briefly describes the use of tar(1), make(1), the Portable Batch System (PBS), and two version control systems: CVS and subversion.
Introduction to TotalView
This single-session course presents an introduction to the use of the TotalView parallel debugger available on Purdue's Linux systems.
Nanoelectronic Modeling: Multimillion Atom Simulations, Transport, and HPC Scaling to 23,000 Processors
07 Mar 2008 | | Contributor(s):: Gerhard Klimeck
Future field effect transistors will be on the same length scales as “esoteric” devices such as quantum dots, nanowires, ultra-scaled quantum wells, and resonant tunneling diodes. In those structures the behavior of carriers and their interaction with their environment need to be fundamentally...
Atomistic Simulation of Realistically Sized Nanodevices Using NEMO 3-D: Part I - Models and Benchmarks
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...
Opening Remarks: Excellence in Computer Simulation
03 Jan 2008 | | Contributor(s):: Mark Lundstrom
Opening remarks for 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.
Challenges and Strategies for High End Computing
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.
Session 3: Discussion
20 Dec 2007 |
Discussion led by Jim Demmel, University of California at Berkeley.
Excellence in Computer Simulation
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...
HPCW Introduction to Parallel Programming with MPI
05 Dec 2007 | | Contributor(s):: David Seaman
Single-session courseillustrating message-passing techniques. The examples include point-to-pointand collective communication using blocking and nonblocking transmission. Oneapplication illustrates the manager/worker model with buffered communications.Code examples provided in C, C++, Fortran...
Engineering at the nanometer scale: Is it a new material or a new device?
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.
HPCW Condor: High Throughput Computing
09 Oct 2007 | | Contributor(s):: Thomas (Tom) Kesler
Condor is a research project of the University of Wisconsin. It offers an environment called "High Throughput Computing" for compute-intensive jobs. Condor can manage a collection of compute nodes and can harness wasted CPU power from otherwise idle workstations of a cluster or desktop. Condor...
High Performance Computing Training Workshop
09 Oct 2007 |
The Computing Research Institute and the Rosen Center for Advanced Computing hosted a training workshop on High Performance Computing August 6 &7, and September 10 & 11, 2007. The goal of this workshop is to increase the attendees’ knowledge of parallel architectures and parallel programming on...
HPCW High-end HPC Architectures
09 Oct 2007 | | Contributor(s):: Mithuna Thottethodi
HPCW Parallel Programming Models
09 Oct 2007 | | Contributor(s):: Sam Midkiff