2019 ALCF Computational Performance Workshop

2019 ALCF Computational Performance Workshop


Work with experts to boost your code performance on ALCF computing resources

From April 30–May 2, 2019, we will host the annual ALCF Computational Performance Workshop to help researchers achieve computational readiness on ALCF computing resources. Workshop participants will have the opportunity to:

  • Work directly with ALCF and industry professionals during dedicated hands-on sessions
  • Explore advanced techniques and tools to enhance code performance and expand your data science skills
  • Benchmark and debug your code with exclusive reservations on ALCF computing systems
  • Prepare for a major allocation award (e.g., INCITE, ALCC, ALCF Data Science Program)


The ALCF Computational Performance Workshop is intended for HPC researchers and team members with near-term goals of applying for a major allocation award. Registrants will be reviewed for experience level and will be asked to provide both a research summary and goals for attending.

NOTE: Foreign nationals please check eligibility at the registration link.


  • March 22, 2019 - Registration deadline
  • April 1, 2019 - Notification of acceptance (U.S. Citizens)
  • April 20, 2019 - Notification of acceptance (foreign nationals)


Agenda (subject to change)

Day 1 (Tuesday, April 30)

8:30 Shuttle Departs from Argonne Guest House to TCS, Bldg. 240
9:00-9:10 Welcome to the ALCF Computational Performance Workshop
9:10-9:15 Introduction and Safety Review, Ray Loy, ALCF 
9:15-10:00 Theta Software and Job Submission
10:00-11:15 Hands-on Session: Accessing Theta
11:15-12:15 Profiling With HPC Toolkit, Mark Krentel, Rice University
12:15-1:15 Working Lunch (ALCF Allocation Programs) Katherine Riley, ALCF 
1:15-2:00 TAU Performance Analysis, Sameer Shende, Paratools 
2:00-2:45 VTune Quick Start and Roofline Analysis 
3:00-5:00 Hands-on Session Breakout Session: VTune Deep Dive (Room 1404/1405)
5:15 Shuttle Departs from TCS to Argonne Guest House

Day 2 (Wednesday, May 1)

8:30 Shuttle Departs from Argonne Guest House to TCS, Bldg. 240
9:00-10:00 OpenMP and MPI
10:00-10:45 Hardware and Single Node/Core Optimization 
10:45-11:15 I/O Optimization 
11:15-11:30 Break 
11:30-12:15 Math Libraries, Michael D'Mello, Intel 
12:15-12:30 Group Photo
12:30-1:30 Working Lunch (Application Performance Case Study)
1:30-2:15 Ensemble Jobs and Workflows, Misha Salim, ALCF 
2:15-2:30 Break 
2:30-4:00 Hands-on Session Breakout Session: Ensemble Jobs and Workflows Deep Dive (Room 1404/1405)
4:00-5:00 Presentation from Attendees 
5:15  Shuttle Departs from TCS to Argonne Guest House

Day 3 (Thursday, May 2)

8:30 Shuttle Departs from Argonne Guest House to TCS, Bldg. 240
9:00-9:15 ALCF: Next Steps, Ray Loy, ALCF 
9:15-11:15 Hands-on Session Breakout Session: OpenMP Deep Dive (Room 1404/1405)
11:15-12:00 Visualization at ALCF, Joe Insley, and Silvio Rizzi, ALCF
12:00-12:30 Cray Performance Tools, Colleen Betroni, ALCF 
12:30-1:30 Working Lunch (Presentations from Workshop Attendees)
1:30-2:15 ALCF Data and Learning Frameworks, Corey Adams, ALCF 
2:15-3:00 Debugging on ALCF Systems, Ray Loy, ALCF
3:00-5:00 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 $91.50 + 6% tax.

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

When making a reservation, please specify the Argonne Contact: Monica White, (630) 252-7936, ALCF Division

Room block group name: ALCF Computational Performance Workshop

Guest House website: https://www.anlgh.org





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
Lemont, 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 
Ghadar, Yasaman: ALCF, Assistant Computational Scientist,LAMMPS, Traning and workshops
Harms, Kevin: ALCF, Lead, I/O Libraries & Benchmarks 
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
Rizzi, Silvio: ALCF, Assistant Computational Scientist, Visualization
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