Harvey Mudd College’s computational chemistry lab has been awarded supercomputing resources to support two senior thesis studies on density functional theory (DFT) calculations applied to ketal and ortho ester Claisen rearrangements. The award (165K core hours + 2 TB disk space) is worth about $8,000 for the first year and renewable based on the needs and progress.
Based on the results, Prof. Daub (PI) and CIS’ Dr. Jeho Park (Co-PI) worked together and requested a substantial amount of computing time from two supercomputer centers (San Diego Supercomputing Center and Texas Advanced Computing Center). The proposal went through a competitive process, designed in a similar fashion to the NSF peer-review system. The committee notified us of its approval on December 15, 2017. The new research allocation, which is good until the end of 2018, will provide enough computing power for the students’ senior thesis studies. Unlike the startup allocations, which have some limitations like the project term being only one year, the research computing allocations can be renewed after the first year and more computing time may be added as needed based on the project progress. If you would like to know more about supercomputer resources through XSEDE, please contact Jeho Park at firstname.lastname@example.org.
With the finals around the corner and the summer break soon to follow, we will wrap up the HMC Scientific Computing Workshop Series for Spring 2015 with these three popular workshops:
Essential MATLAB for Beginners (FULL)
April 30th at 5:30 pm to 7:00 pm in Aviation Room at Hoch-Shanahan Dining Commons
R for Statistical Computing
May 7th at 5:30 pm to 7:00 pm in Aviation Room at Hoch-Shanahan Dining Commons
Advanced MATLAB (for summer math/research students)
May 21st at 12:00 pm to 1:30 pm in Aviation Room at Hoch-Shanahan Dining Commons
All these workshops are digital badge-earning opportunities. All participants who finish their required work in and out of the workshop will be awarded a digital badge through HMC CIS Digital Badge program. For more information about digital badges, please see https://www.hmc.edu/cis/digital-badge/.
Location: Shanahan 2461 in Shanahan Center at Harvey Mudd College
This workshop is open to public
We are pleased to announce a one-day Big Data workshop on Tuesday, April 7, 2015 from 8 am to 2 pm on the Harvey Mudd campus (Shanahan 2461). The workshop will be led by Pittsburgh Supercomputing Center and the Scientific Computing Specialist at Harvey Mudd will be the on-site TA for local participants. This workshop will focus on topics such as Hadoop and Spark. If you are unable to attend the whole workshop due to your class schedule, I would recommend you the first two sessions to learn the basics of Big Data and do some hands-on programming using Java.
We are pleased to announce that a Mathematica seminar will be held on our campus (Aviation Room in Hoch-Shanahan) on Tuesday, February 24th, 2015 from noon to 1 pm. Please come join us to learn more about new Mathematica 10 features that can help your job done more easily and efficiently. Seats are limited, so please register for the seminar. Here’s the details:
Wolfram Technologies in Education and Research
February 24, 2015
12:00-1:00, including Q&A
Harvey Mudd College: Aviation Room in Hoch-Shanahan Dining Commons
This talk illustrates capabilities in Mathematica 10 and other Wolfram technologies that are directly applicable for use in teaching and research on campus. Topics of these technical talks include:
Enter calculations in everyday English, or using the flexible Wolfram Language
Visualize data, functions, surfaces, and more in 2D or 3D
Store and share documents locally or in the Wolfram Cloud
Use the Predictive Interface to get suggestions for the next useful calculation or function options
Access trillions of bits of on-demand data
Use semantic import to enrich your data using Wolfram curated data
Easily turn static examples into mouse-driven, dynamic applications
Access 10,000 free course-ready applications
Utilize the Wolfram Language’s wide scope of built-in functions, or create your own
Get deep support for specialized areas including machine learning, time series, image processing, parallelization, and control systems, with no add-ons required
Current users will benefit from seeing the many improvements and new features of Mathematica 10 and Wolfram Alpha Pro, but prior knowledge of the Wolfram Language is not required. All attendees will receive an electronic copy of the examples, which can be adapted to individual projects.
We are pleased to announce the HMC Scientific Computing Workshop schedule in October. The workshops will be held on Wednesdays from 5:30 pm to 7 pm in Aviation Room in Hoch-Shanahan Dining Commons.
October 8th: Essential MATLAB for Beginners — Learn the basics of MATLAB programming and plotting through hands-on examples of simple script m-file and function m-file.
October 15th: Advanced MATLAB — Learn more about MATLAB’s advanced programming skills: data structures, advanced use of functions, debugging and profiling, and parallel computing techniques.
October 22nd: R for Statistical Computing — Know R for statistical data analysis and graphs.
October 29th: OpenMP Multithreaded Programming — an easy way to parallelize and speed up your iterative calculations on multi-core machines.
All these workshops are digital badge-earning opportunities. All participants who finish their required work in and out of the workshop will be awarded a digital badge through CIS Digital Badge Pilot program. For more information about digital badges, please see https://www.hmc.edu/cis/digital-badge/.
Glass is Google’s wearable computer that sits on your right ear and displays its contents through a tiny prism projector screen over your right eye. (duh)
During this summer break, CIS had a test-out event of a Google Glass loaned from the Claremont Library for two weeks. Soon after the announcement for the event, several people (six faculty, seven staff, and six students) with exceptional curiosity jumped right in. At Harvey Mudd, we like scientific experiments. So in this case, the hypothesis to accept (or otherwise sadly reject) was “Google Glass helps teaching and learning (in a way).” (Hey Google, isn’t Harvey Mudd a perfect place for testing such an emerging technology in higher ed? Contact us if you want to donate a Google Glass or two. ;))
Anyway, those 18 enthusiastic experimentalists came back with their personal opinions after trying Glass out for two to three hours. Two common responses were “It’s cool!” and, interestingly, “It made my head and eyes hurt.” A group of MyCS students tried it for a scavenger hunt using Glass apps like Word Lens for a group of teachers and reported that it went really well–this was actually a great use case for Glass in an educational setting. In addition, a couple of faculty members noted that the usefulness in teaching and learning would be dependent on the Glassware you use.
In fact, the default functions of Glass are pretty basic: google something, take a photo, record a video, get directions to, and send a message to, etc. But my 13-year-old son’s first command for Glass was “OK Glass, shoot a laser beam!” Unfortunately (and fortunately to me) it didn’t shoot a laser beam on me. It, however, could’ve done that if he had installed a Glass app doing it (at least on its screen). And it could’ve been educational (in a way) like showing how to calculate the power density of different laser beams depending on parameters like the beam diameter and the distance from the object. So as our faculty members noted in their feedback, with the right Glassware, it may be useful for education in near future.
P.S. We couldn’t accept or reject the hypothesis due to the small sample size. Google, we are eager to do more experiments and you know what to do. 😉
CIS is very excited to announce the post-spring break events specially hand-picked for you. We have three scientific computing seminars lined up for the week of March 24th and April 1st. If you are interested, please pick one or two (or even all three) and register online to reserve your seat. Please find the details below:
Title: Programming with MATLAB
Topics covered will include:
• Basics of the MATLAB programming language
• Automating with scripts
• Building robust, maintainable functions
• Tools for efficient program development
• Using objects and authoring classes in MATLAB
Title: OpenACC* GPU Programming
Topics covered will include:
• Parallel Computing and Accelerators
• Intro to OpenACC
• Using OpenACC with CUDA Libraries
• Advanced OpenACC and OpenMP 4.0
*OpenACC is the accepted standard using compiler directives to allow quick development of GPU capable codes using standard languages and compilers. It has been used with great success to accelerate real applications within very short development periods. This workshop assumes knowledge of either C or Fortran programming.
Harvey Mudd College will be participating in Pittsburgh Supercomputing Center’s XSEDE HPC Workshop about MPI (Message Passing Interface) as a remote site. MPI is a message passing library standard that can be used to parallelize your serial C/Fortran program and algorithm to exploit multi-node, multi-core clusters (or supercomputers) for enhanced performance and/or accuracy. If you are interested in learning MPI, please register for the workshop through XSEDE and come join us in the Learning Studio Classroom on Wednesday, December4th and Thursday, December5th.
This is a two-day intensive workshop through which you can learn from the basics to more advanced skills of MPI programming.
The tentative agenda given below is subject to change.
Harvey Mudd College will be participating in Pittsburgh Supercomputing Center’s XSEDE HPC Workshop about OpenACC. If you are interested in learning GPU programming with OpenACC, please register for the workshop through XSEDE and come join us in Learning Studio Classroom on Tuesday, November 5th. OpenACC is a GPU (Graphics Processor Unit) programming standard for C and Fortran. Using accelerators such as GPUs is a great way to substantially reduce the computational time of computationally-expensive numerical algorithms such as dense linear algebra problems and FFT. And OpenACC is an easy way to enable GPU computing blocks in your program.
(If your schedule is too tight to commit yourselves for the whole five-hour workshop, you can register for the workshop and just participate in the sections for “Intro to OpenACC” from 9:15 am to 10:00 am and/or from 11 am to 1 pm to get an idea how you can use OpenACC for your program.)
We are excited to announce a free half-day MathWork Seminar at Harvey Mudd College for The Claremont Colleges. Please join us on Friday, March 8th from noon to 4:00 pm in Math Seminar Room on the 3rd floor of Sprague. A light lunch will be provided. Seats are limited, so please register online at http://www.mathworks.com/HMC2013. Details below.
Technical Computing with MATLAB at Harvey Mudd College
Presenter: Saket Kharsikar, Application Engineer
12:00 p.m. – 12:30 a.m. Registration and Lunch
12:30 p.m. – 1:15 p.m. What’s new in 2012b?
• New MATLAB Desktop
• Packaging and Installing MATLAB Apps
• Redesigning help
• Import tool enhancements for text files
1:15 p.m. – 1:40 p.m. Break
1:40 p.m. – 3:40 p.m. Mathematical Modeling with MATLAB
Mathematical models are critical to understanding and accurately simulating the behavior of complex systems. They enable important tasks such as forecasting system behavior for various “what if” scenarios, characterizing system response, and designing control systems.
This session will show how you can use MATLAB products for mathematical modeling tasks, including:
• Developing models using data fitting and first-principle modeling techniques
• Optimizing the accuracy of mathematical models
• Simulating models and post-processing the results
• Documenting and sharing models
You will also learn about different approaches you can use to develop models, including developing models programmatically using the MATLAB language, deriving closed-form analytical equations using symbolic computation, and leveraging prebuilt graphical tools for specific modeling tasks such as curve and surface fitting.