From charlesreid1


2010 Scientific Computing Summer Workshop

Scientific Computing Summer Workshop 1: Updraft

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Date: Wednesday, June 30, 2010

Presenter: Charles Reid

Abstract: One very important aspect of scientific computing is high-performance computing - running scientific software on machines with more than one processor (sometimes thousands!). This workshop will provide users with a clear understanding of cluster computing, and will focus specifically on the Updraft computing cluster, located at the University of Utah and administered by the Center for High Performance Computing. This will include a discussion of the hardware, software, policies, and queue system of the Updraft cluster, and an explanation of some important topics like head nodes vs. compute nodes, disk space and disk write speeds, and resources for finding the information you need. In addition, some useful Unix commands will also be covered.

Scientific Computing Summer Workshop 2: Creating, Building, and Using Scientific Software

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Date: Wednesday, July 7, 2010

Presenter: Charles Reid, Professor James Sutherland

Abstract: One extremely important but often overlooked aspect of scientific computing is the process of creating, building, and using scientific software. Sometimes this software is written by you or your group, other times it is written by someone you'll never meet. This workshop will cover some important techniques for building your own software project, some tools to manage your software projects as they grow in complexity, and commonly-used build tools that are used in most large-scale third-party software projects, such as autoconf, GNU make, and cmake. This discussion will cover concepts essential to building software (compilers, binaries, "make" and "cmake", libraries, linking, etc.), as well as give hands-on demonstrations in building several useful tools. Also, a brief discussion about basic source code management and documentation management (critical to any software project) will be given.

'APPLE USERS!' Please download and install a copy of Xcode Developer Tools BEFORE the workshop (it will take a while!). Download from Apple's webpage here: Apple: Download Xcode Developer Tools (go through the "Mac Dev Center" link).

'PLEASE NOTE!' A working knowledge of Unix will be assumed during this workshop, so if you aren't comfortable with a command line interface, be prepared to spend some time familiarizing yourself with Unix systems before you can utilize all the information given in this workshop.

You can also find some basic information about Unix systems at the following links:

Compiling Software,

Unix (page gives information on Unix Command-Line Basics) (less extensive), and

File:IntroToUnix.pdf - An Introduction to Unix (much more extensive).

However, everyone is encouraged to attend, regardless of their level of knowledge.

Scientific Computing Summer Workshop 3: Introduction to Arches and the Uintah Computational Framework

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Date: Wednesday, July 14, 2010

Presenter: Charles Reid

Abstract: The Arches large-eddy simulation code is an object-oriented C++ code developed to simulate turbulent combustion as a part of the C-SAFE program at the University of Utah. Arches is a component built within in the Uintah Computational Framework (UCF), a C++ framework enabling parallelization to thousands of processors. The Arches code is complex and multi-faceted, and as such requires the user to have a thorough understanding of both the UCF and the code's algorithm in order to begin developing within Arches. This workshop is intended to give potential Arches users and developers a gentle introduction to the UCF concepts required to understand what Arches is doing, as well as a higher-level algorithmic view of the Arches code.

It is recommended that users check out a copy of Uintah from SVN by running the following command at a command prompt:

$ svn co https://gforge.sci.utah.edu/svn/uintah/trunk ~/uintah

This will create a copy of the Uintah framework in a folder called "uintah" in your home directory. Checking out the code from the SVN repository will take a few minutes. The Arches component, if you are interested in exploring ahead of time, is located at the following location:

$ cd ~/uintah

$ cd src/CCA/Components/Arches 

Scientific Computing Summer Workshop 4: Stocking Your Unix Toolbox

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Date: Wednesday, July 21, 2010

Presenter: Charles Reid

Abstract: In this workshop, we'll discuss some powerful Unix tools with which every engineer developing scientific software should have some familiarity. This will include a discussion of text editors (the classic "Emacs vs. Vi"), source code management and version-tracking software, software for documentation, and some tools provided by Unix that can prove themselves extremely useful and flexible.

The objective of the workshop is not to give detailed information about every tool; this would take much too long. Instead, the objective is to showcase some Unix tools to show their capabilities, and to give attendees a cursory introduction to a wide range of tools, so that the attendees can discover the tools that work best for them.

Stocking your Unix toolbox is something you must do yourself, but this workshop is intended to help get you started.


Conference Presentations

2010 AIChE Annual Meeting

AIChE = American Institute of Chemical Engineers

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Title: Application of the Direct Quadrature Method of Moments to Large Eddy Simulations of Coal Gasification

Files:

  • Presentation PDF file: File:AICHE 2010.pdf
  • Video links and thumbnail images are also listed below.

Date: November 11, 2010

Presenter: Charles Reid (co-authors Jeremy Thornock and Philip Smith)

Abstract: Utilization of domestic sources of fuel such as coal is growing increasingly important, but under increasing scrutiny. There is a critical need to retrofit existing industrial and applied-scale facilities using coal to meet regulatory requirements, and to explore new technologies and techniques for carbon emission reduction. With the continually increasing power of computational resources, predictive simulation tools are playing an increasingly important role in this process. To this end, an Eulerian dispersed-phase model, the direct quadrature method of moments (DQMOM), has been implemented in a massively-parallel large eddy simulation (LES) code, and applied to coal gasification. The DQMOM formulation for gasification of coal particles must characterize the multivariate number density function (NDF) as a function of several particle independent variables (internal coordinates), including particle composition, particle temperature, and particle size. Next, several issues relevant to the implementation of DQMOM are addressed. Preliminary LES gasification results are presented, compared to experimental data, and discussed. A successful implementation of DQMOM in the context of massively parallel large-eddy simulations of coal gasification is demonstrated. Several recent developments in DQMOM theory help pave the way for application to complex coupled physics problems such as coal gasification.

Videos:

All videos were created (or converted) using ffmpeg. All of the commands I learned in the process of creating these videos are on the ffmpeg page.

Click the thumbnail to download the video.

AICHE movies weight-vel contour full.png
Video illustrating Stokes number effects. The video is of the full domain.

This is a pseudocolor plot of the instantaneous gas velocity, overlaid with contours of particle number density. (See presentation for details).

.mov format, 5.5 MB

AICHE movies weight-vel contour zoom.png
Video illustrating Stokes number effects. The video is of the high-shear region at the edge of the jet, close to the injector.

This is a pseudocolor plot of the instantaneous gas velocity, overlaid with contours of particle number density. (See presentation for details).

.mov format, 3.2 MB

AICHE movies eta pseudocolor.jpeg
Video illustrating the resolution of turbulent flame structures. The video is an instantaneous plot of eta (coal gas mixture fraction) colored by concentration.

The black contour indicates the stoichiometric value of eta (0.26). Red regions indicate pockets of fuel-rich conditions.

.mpg format, 11 MB

AICHE movies eta pseudocolor.jpeg
Same video as above, but at a frame rate 3 times slower.

.mpeg format, 12 MB

AICHE movies eta instant-avg.jpeg
Video illustrating resolution of turbulent mixing, and the information lost through time-averaging (even for a small averaging window).

Time-averaged vs. instantaneous eta (coal gas mixture fraction) along the centerline.

.mov format, 647 KB

AICHE movies moment instant-avg.jpeg
Video illustrating resolution of turbulent mixing, and the information lost through time-averaging (even for a small averaging window).

Time-averaged vs. instantaneous moment 0 (total number density) along the centerline.

.mov format, 594 KB

AICHE movies RC instant-avg.jpeg
Video illustrating resolution of turbulent mixing, and the information lost through time-averaging (even for a small averaging window).

Time-averaged vs. instantaneous particle raw coal mass (1st moment of raw coal mass internal coordinate) along the centerline.

.mov format, 424 KB


Qualifying Exam Presentation

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Presenter: Charles Reid

Date: January 2009

Abstract: The qualifying exam consisted of a written and orally-presented critique of a journal paper unrelated to my area of research (numerical combustion). My paper, Dispersion of soluble matter in solvent flowing slowly through a tube (1953), was written by Sir Geoffrey Taylor. I was very critical of the article, for a number of reasons, and presented an alternative approach that Sir Taylor could have taken to make his results more general, his conclusions more widely applicable, and his paper easier to tie into the existing body of literature.