The Research Computing Center Seminars

Feb 21, 2:00 PM: Python for HPC

43 min 37 sec ago
The Python programming language and its software ecosystem have become ubiquitous in scientific and research computing. This workshop will discuss issues and techniques relevant for using Python in a HPC environment and RCC's Midway cluster in particular. Topics covered: * Python and libraries installed on Midway * How to install your own libraries and manage your environment * Checkpointing and restarting * Parallel programming using multiprocessing, mpi4py and Cython This is an INTERMEDIATE level workshop; participants are expected to have a general familiarity with Python but no special expertise is required. Prerequisites: Familiarity with Python.

Date: February 21, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1554

Apr 11, 2:00 PM: GPU-Assisted Software for Quantum Chemistry and Molecular Dynamics Simulations

Fri, 02/17/2017 - 20:30
Nowadays more and more scientific software packages have been equipped with GPU/CUDA accelerations. In computational chemistry, CUDA has been also implemented into a series of computer programs, which cover the two important areas: quantum chemistry (QM) calculations and molecular dynamics (MD) simulations. This tutorial will start with a brief introduction about GPU/CUDA programing followed by an overview of applications and benchmarks of a series of GPU-based QM and MD programs. There are two main parts of the rest of this tutorial: In the first part, we will introduce the mechanisms of GPU-acceleration in these programs and in the second part, the lecturer will demonstrate how to run and configure these GPU programs on the RCC infrastructure. This tutorial will also discuss how to develop portable GPU programs. This is an ADVANCED level workshop, aimed at experienced users. Prerequisites: Attendees are strongly encouraged to bring a laptop to participate in the hands-on session.

Date: April 11, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1721

Apr 25, 2:00 PM: Designing Interactive Data Visualizations (D3/Javascript)

Fri, 02/17/2017 - 17:14
This workshop provides a theoretical and practical introduction to data visualization strategies with a focus on the types of interactive visualizations available within the Data Driven Document (D3) web-based platform for Javascript (see github.com/mbostock/d3/wiki/Gallery for a range of examples). We will discuss general best practices for graphic presentation of data, then evaluate the exciting capabilities of the D3 toolkit as we review the wide variety of data visualizations it makes possible, from simple graphs and charts to three-dimensional projections, network maps and data-driven digital cartography. This is an INTERMEDIATE level workshop, for users with some knowledge of JavaScript. Prerequisites: Users should bring a computer and have at least a basic knowledge of Javascript.

Date: April 25, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1725

Feb 28, 2:00 PM: Dissecting LAMMPS: An Open Development Environment for Particle Systems Simulation

Fri, 02/17/2017 - 14:07
The big success of the Apple with its mobile products (iPhone, iPad, etc.) is attributed not only to the fascinating hardware, but more importantly, to the open app development atmosphere that attracts millions of programmers. Among several popular MD simulation codes, there is also one with a similar purpose: LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), developed by Sandia National Laboratories (SNL). One of the most important features of LAMMPS is its well-designed framework and friendly plug-in interfaces, which allows people outside the SNL group to add new features into it. LAMMPS provides abundant functions, many of which were contributed from the third-party developers. It is also an attractive platform to plenty of research groups that are focusing on developments of modeling and methodologies. The lecturer will first introduce the structure, modules and plug-in interfaces of LAMMPS. Then, several tentative codes will be presented to demonstrate the procedures to extend LAMMPS functions. The attendees are also encouraged to bring their new ideas to an open discussion or in-person tutoring for the implementations. Finally, the instructor will introduce how to build LAMMPS as a module bound to or driven by other programs for wider purposes. This is an ADVANCED level workshop. Prerequisites: Attendees should bring a laptop to participate in the hands-on session.

Date: February 28, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1564

May 2, 11:00 AM: Mind Bytes 2017

Fri, 02/17/2017 - 14:07
Mind Bytes 2017 is the third annual research computing symposium and exposition, sponsored by the Research Computing Center (RCC). Mind Bytes showcases student and faculty work done at the University of Chicago with RCC resources, allows participants to exchange ideas about work done in their field and others, and provides a forum to learn about research computing resources available on campus.

Date: May 2, 2017
Time: 11:00 AM - 5:45 PM

See: mindbytes.uchicago.edu

May 25, 2:00 PM: Parallel Programming with MPI

Fri, 02/17/2017 - 07:24
This two-afternoon hands-on workshop will give a basic introduction to parallel programming using MPI message passing library on day 1 and cover advanced MPI topics on day 2. It will give participants a working knowledge of a subset of the MPI library to allow them to immediately begin writing effective parallel programs. Examples and hands-on exercises will be provided in C and Fortran. Day 1: The first part of this workshop will begin with an introduction, background, and basic information for getting started with MPI. This will be followed by a detailed look at the MPI routines that are most useful for new MPI programmers, including MPI environment management, point-to-point communications, and collective communications routines. Day 2: The second part of this workshop will expand on what is covered on Day 1 and cover advanced topics such as derived data types, one sided communication and MPI I/O. Specific libraries for portable I/O such as HDF5 and NetCDF will be covered. Day 1 of this workshop is taught at the INTRODUCTORY level by Dr. Runesha; day 2 is taught at the INTERMEDIATE level by RCC consultant Jonathan Skone.

Date: May 25, 2017
Time: 2:00 PM - 4:00 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1252

Apr 4, 2:00 PM: Introduction to the Research Computing Center

Wed, 02/15/2017 - 22:25
The Research Computing Center (RCC) provides access to high-end computing and visualization resources to researchers at the University. This presentation will discuss computational resources, programs and services offered by the RCC and provide information on how to get a computing or storage resource allocation and information about the Cluster and Consultant Partnership Programs. The hands-on component of this workshop will begin by giving you the opportunity to create an account on Midway, a high performance computer that serves the UChicago research community. Attendees will be able to use their RCC accounts to compile code, run jobs interactively using the SLURM batch scheduler, explore the software module system, and learn how to use the RCC custom online documentation system. This is an INTRODUCTORY level course, for people with little or no experience in the topic.

Date: April 4, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1256

Apr 18, 2:00 PM: Job Scheduling on Midway

Wed, 02/15/2017 - 13:10
Scheduling and resource management are at the core of a shared high performance computing (HPC) system. Asking the correct amount of resources to run a job is important in terms of both minimizing the wait time and maximizing the utilization of shared resources. In this workshop, participants will learn more about scheduling and how it can affect jobs throughput. Participants will also have a hands-on experience on submitting and monitoring jobs. This is an INTRODUCTORY level workshop. Prerequisites: Attendees are strongly encouraged to bring a laptop to participate in the hands-on session.

Date: April 18, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1726

May 2, 2:00 PM: HPC for Molecular Engineering

Wed, 02/15/2017 - 09:52
This workshop will explore the assembly of computational methodologies, based on molecular principles, used in a bottom-up approach to design and optimize new molecular and material systems. An application that is of a reasonable time and length scale will be used to demonstrate how these tools can be leveraged by a high-performance computing environment. This is an INTRODUCTORY level workshop. Prerequisites: Attendees are strongly encouraged to bring a laptop to participate in the hands-on session.

Date: May 2, 2017
Time: 2:00 PM - 3:30 PM

See: https://training.uchicago.edu/course_detail.cfm?course_id=1724

May 9, 2:00 PM: Understanding Image Segmentation

Wed, 02/15/2017 - 06:51
Image segmentation is a very powerful technique to select the data contained in a region of interest of an image. During this workshop we will learn about several segmentation algorithms and their different applications. Different toolkits will be presented with their applications in specific areas (medicine, physics, biology, chemistry, and others). iPython will be used for the hands-on examples. This is an INTRODUCTORY level workshop, designed for people with little or no experience on this topic. Prerequisites: Attendees are strongly encouraged to bring a laptop to participate in the hands-on session.

Date: May 9, 2017
Time: 2:00 PM - 3:30 PM

Mar 4, 10:00 AM: Open Data Day Hackathon

Tue, 02/14/2017 - 11:46
Celebrate Open Data Day 2017 with us! Do you have an ongoing project? Or are you just curious about local, state, or federal governmental data at any level? Then join us for the 2017 Open Data Day Hackathon on Saturday, March 4! No matter your background or interests, we need you to make open data community grow. We will collect, visualize, and analyze data using different software tools (IPython, R, and others). The focus of this year will be on open research data, tracking public money flows, open data for environment, and open data for human rights. This hackathon is open to the public, but please register before March 1, 2017. Space is limited. For more information, please visit: http://wiki.opendataday.org/Chicago2017 To register: https://www.eventbrite.com/e/open-data-day-hackathon-chicago-tickets-31893984767

Date: March 4, 2017
Time: 10:00 AM - 5:00 PM

See: https://rcc.uchicago.edu/about-rcc/open-data-day-hackathon