ALCF Simulation, Data, and Learning Workshop

SDL Workshop


The ALCF and our user community are driving a new paradigm for scientific computing—the convergence of simulation, data analysis, and machine learning.

From October 2–4, 2018, we will host the ALCF Simulation, Data, and Learning Workshop to help researchers improve the performance and productivity of simulation, data science, and machine learning applications on ALCF systems. Workshop participants will have the opportunity to:

  • Work directly with ALCF and industry professionals during dedicated hands-on sessions
  • Learn how to use available tools and frameworks to improve productivity
  • Learn how to set up workflows and use containers
  • Test and debug your code with exclusive full-system reservations on ALCF systems
  • Get assistance with Director's Discretionary projects to help prepare for a major allocation award
  • Improve the performance of your existing ALCF project
  • Plan ahead for 2019-2020 allocation proposal submissions

Registrants will be reviewed for experience level and will be asked to provide goals for attending.


Registration is closed.



Day 1 (Tuesday, October 2)

8:30 Shuttle Departs from Guest House to TCS, Bldg. 240
9:00-9:10 Welcome - Mike Papka, ALCF
9:10-9:15 Introduction and Safety Review - Ray Loy, ALCF
9:15-10:00 Getting Started on ALCF Systems - Chris Knight, ALCF
10:00-10:30 Hands-on Session
10:30-10:45 Break
10:45-11:15 Overview of Machine Learning and Deep Learning at the ALCF (including DeepHyper, UQ, DAAL) - Elise Jennings, ALCF
11:15-12:00 Deep Learning with Keras, Tensorflow, PyTorch, and Horovod on Theta - Huihuo Zheng, ALCF
12:00-1:00 ALCF Allocation Programs (working lunch) - Katherine Riley, ALCF
1:00-1:40 Using and Scaling Python - William Scullin, ALCF

Profiling Your Application with Intel VTune and Advisor - Carlos Rosales-Fernandez, Intel


Note: Examples referenced in /projects/intel/crosales are now in /projects/SDL_Workshop/crosales

2:20-3:20 Hands-on Session
3:20-3:35 Break
3:35-4:15 Scaling Deep Learning Frameworks - Mike Ringenburg, Cray
4:15-5:00 Hands-on Session
5:15 Shuttle Departs from TCS to Guest House

Day 2 (Wednesday, October 3)

8:30 Shuttle Departs from Guest House to TCS, Bldg. 240
9:00-9:30 Getting Started with Spark on Theta - Xiao-Yong Jin, ALCF
9:30-10:10 Spark Tips and Tricks including Alchemist - Mike Ringenburg, Cray
10:10-10:40 Hands-on Session
10:40-10:55 Break
10:55-12:00 TAU Performance Analysis - Nick Chaimov, Paratools
12:00-12:10 Group Photo
12:10-1:00 Scientific Domain-Informed Machine Learning - Prasanna Balaprakash, ANL (working lunch)
1:00-1:40 Using MPI Effectively on Theta - Sudheer Chunduri, ALCF

Debugging and Profiling with DDT and Map - Ryan Hulguin, ARM

Supplemental material: Starting up DDT and MAP

2:20-3:15 Hands-on Session
3:15-3:30 Break
3:30-3:35 ALCF Next Steps - Ray Loy, ALCF

Using OpenMP Effectively on Theta - Carlos Rosales-Fernandez, Intel


Note: Examples referenced in /projects/intel/crosales are now in /projects/SDL_Workshop/crosales

4:15-5:00 Hands-on Session
5:15 Shuttle Departs from TCS to Guest House

Day 3 (Thursday, October 4)

8:30 Shuttle Departs from Guest House to TCS, Bldg. 240

Using MKL and MKL-DNN Effectively on Theta - Mourad Gouicem, Intel

Hands-on Materials

9:40-10:20 Executing Workflows including Running Ensemble Jobs Using Balsam - Misha Salim, ALCF
10:20-10:35 Break
10:35-11:15 Hands-on Session
11:15-12:00 Using Containers on Theta - Murat Keceli, ALCF
12:00-1:00 Run-to-run Variability on Theta and Best Practices for Perfomance Benchmarking - Sudheer Chunduri, ALCF (working lunch)
1:00-1:45 Parallel I/O and Storage - Rick Zamora, ALCF
1:45-2:30 Visualizing Your Data - Joe Insley and Silvio Rizzi, ALCF
2:30-3:30 Hands-on Session
3:30-3:45 Break
3:45-5:00 Hands-on Session

NOTE: No shuttle to Guest House. For assistance, visit registration desk.


A block of rooms has been reserved at the Argonne Guest House at a rate of $93.70 per night ($88.40 + 6% tax).

Reservations may be made online or by phone (630) 739-6000.

When making a reservation, please specify the Argonne Contact: Teresa Rodriguez, (630) 252-4238, ALCF Division

Room block group name: SDL Workshop

Guest House website:




Your Required Gate Pass/Badge

Argonne is a badged facility. A gate pass (issued as a clip-on ID badge) is required to enter Argonne the lab. Once you are approved to attend this event, we will arrange for a gate pass to be ready for you to pick up at the Argonne Information Center, building 224, located outside the main Argonne gate ("Northgate") on Northgate Road off Cass Avenue. The Argonne Information Center is open from 6:30 a.m. to 4:55 p.m. central. If you arrive after hours, your gate pass will be available from the guards at the guardhouse. If you have not arranged in advance for your driver to receive a gate pass, he/she will not be allowed to drive you into the laboratory. See the Getting to Argonne tab for instructions.

Visitors who have been issued a gate pass may enter the site for Laboratory-approved activities subject to the time and date restrictions on their gate pass. All visitors are required to present photo identification, such as a driver’s license or passport, to receive a gate pass. Non-U.S. citizens must also provide INS documents (visa, passports, I-20, I-797A and/or DS2019). In addition, all those operating a motor vehicle on site must have a valid driver’s license. Passes must be worn in plain view, on the upper part of the body, at all times while on site. Gate passes may be used only to gain site access for the person to whom the pass was issued. Visitors, except Argonne Guest House or Lodging residents, may not authorize site access or issuance of a gate pass for any other person.

Getting to Argonne

If you are not traveling to Argonne via private or rental car, please note that limousine and taxi drivers who are not US citizens may be unable to enter the lab. We strongly recommend you contact United Limousine for your ground transportation needs. As a contracted provider, United Limousine is familiar with Argonne security processes and will assure your driver meets the requirements to enter the laboratory.

  • United Limousine Reservations: 1-630-969-3865 (IMPORTANT: Be sure to notify United Limousine that you are traveling to Argonne National Laboratory.)
  • Airport Arrivals: 1-800-331-9037 or 1-630-969-3865

Argonne Leadership Computing Facility (ALCF)
Building 240
9700 S. Cass Avenue
Argonne, IL  60439
North Entrance to Argonne in Google Maps

To Argonne coming from O'Hare International Airport: Take I-294 south to I-55. Exit west on I-55 (toward St. Louis) and continue for about four miles to Cass Avenue. Exit south on Cass and turn right at the Argonne sign on Northgate Road, immediately south of I-55. Follow Northgate Road to the Argonne Information Center.

To Argonne coming from Midway Airport: Take Cicero Avenue north to I-55. Enter I-55 south and continue for about 14 miles to Cass Avenue. Exit south on Cass and turn right at the Argonne sign on Northgate Road, immediately south of I-55. Follow Northgate Road to the Argonne Information Center.


Speaker/Staff  Expertise
Alexeev, Yuri: CPS, Principal Project Specialist.Quantum Computing, GAMESS
Bertoni, Colleen: ALCF, Assistant Computational Scientist, Quantum Chemistry, HPC, GAMESS
Chunduri, Sudheer: ALCF, Assistant Computer Scientist, MPI, Networking 
Gouicem Mourad: Intel, MKL and MKL-DNN.
Harms, Kevin: ALCF, Lead, I/O Libraries & Benchmarks 
Ghadar, Yasaman: ALCF, Assistant Computational Scientist,LAMMPS, Traning and workshops
Harms, Kevin: ALCF, Lead, I/O Libraries & Benchmarks 
Hulguin, Ryan: ARM, Allinea DDT debugger and MAP performance profiler
Insley, Joseph: ALCF, Lead, Visualization & Data Analytics
Jennings, Elise: ALCF, Computer Scientist, Statistics, Machine Learning 
Jin, Xiao-Yong: CPS, Assistant Computer Scientist, Lattice QCD, Spark
Keceli, Murat: CPS, Assistant Computational Scientist, Valance Band Theory, Machine Learning
Knight, Christopher: CPS, Computational Scientist/Team Lead, DFT, Molecular Simulations, LAMMPS, Qbox, WEST
Kwack, JaeHyuk: ALCF, Assistant Computer Scientist, Performance Engineering
Li, Ying: CPS, Argonne Scholar, Molecular Mechanics 
Loy, Ray: ALCF, Lead for Training, Debuggers, and Math Libraries
Osborn, James: CPS, Computational Scientist/Team Lead, Floating-point Intrinsics, Low-level Communications, Nuclear & High Energy Physics, Sparse Linear Algebra
Papka, Michael: Deputy Associate Lab Director (Computing, Environmenta, and Life Sciences), Division Director (ALCF)
Patel, Saumil: ALCF, Nek5000, CFD
Ringenburg, Michael: Cray, Machine learning including Spark, Alchemis
Rizzi, Silvio: ALCF, Assistant Computational Scientist, Visualization
Rodrigues, Teresa: ANL, Lead Administrative Assistant for the SDL Workshop
Romero, Nicholas: CPS, Principal Project Specialist, Computational Science,Electronic Structure of Condensed Matter, Programming Models
Salim, Misha: ALCF,  Workflow, Balsam
Scullin, William: CPS, Assistant Computational Scientist, Python
Sivaraman, Ganesh: ALCF,  Datascience, Machine Learning
Uram, Thomas: ALCF, Datascience, Workflow, Balsam
Vishwanath, Venkat: ALCF, Lead Data Science, Machine Learning
White, Monica Orozco: ANL, Adminstrative Assistant
Luo, Ye: CPS, Assistant Scientific Applications Engineer, QMC
Zamora, Richard: ALCF, Assistant Computer Scientist, Machine Learning