IXPUG Annual Meeting 2015

IXPUG 2015

IXPUG 2015 is full Monday through Thursday. If you have questions or want to be on a waiting list, please email This email address is being protected from spambots. You need JavaScript enabled to view it..

September 28 - October 2, 2015

Berkeley, CA

Agenda

Presentations

Monday, Sep. 28 Presentations
Tuesday, Sep. 29 Presentations
Wednesday, Sep. 30 Presentations
Thursday, Oct. 1 Presentations
Friday, Oct. 2, Accelerator Workshop Presentations

Monday, September 28: Hands-on Tutorials

Link to Tau material

Time (PDT)	Topic	Presenter	Location
9:00-12:00	Real-World Example of Optimizing a Code Kernel Remote broadcast: https://zoom.us/j/506858130	Jack Deslippe, Rebecca Hartman-Baker, Scott French, NERSC	CRT 4th Floor South
9:00-12:00	OpenMP Basics and MPI/OpenMP Scaling Remote broadcast: https://zoom.us/j/370300202	Zhengji Zhao, NERSC; David Martin, Argonne National Lab	CRT Conference Room 3101
12:00-1:30	Lunch
1:30-5:00	Real-World Example of Optimizing a Code Kernel (Continued) Remote broadcast: https://zoom.us/j/506858130	Jack Deslippe, Rebecca Hartman-Baker, Scott French, NERSC	CRT 4th Floor South
1:30-5:00	Advanced MPI Remote broadcast: https://zoom.us/j/370300202	Pavan Balaji, Argonne National Lab	CRT Conference Room 3101

Tuesday, September 29: Plenary day - Keynotes, General presentations

Remote broadcast: https://zoom.us/j/506858130

Time (PDT)	Topic	Presenter	Location
8:45	Welcome from IXPUG, NERSC and Berkeley Lab		CRT Top Floor South
9:00	Keynote: From Program Genesis to Future Revelations: Many Core at Intel	Joe Curley, Intel	CRT Top Floor South
9:45	Keynote: Cori and the NERSC Exascale Science Application Program	Sudip Dosanjh, NERSC Director	CRT Top Floor South
10:15	Break		CRT Top Floor South
10:45	Aurora and the ALCF Early Science Program	Susan Coghlan, Argonne Leadership Computing Center Division Deputy Director	CRT Top Floor South
11:15	Stampede and Follow-Ons at TACC	Dan Stanzione, Executive Director Texas Advanced Computing Center	CRT Top Floor South
11:45	Coding for the future: Knights Landing and beyond	C.J. Newburn, Intel	CRT Top Floor South
12:30	Lunch
2:00	IXPUG: A community collaborating on creating high-performance applications	Richard Gerber, IXPUG President, NERSC Senior Science Advisor	CRT Top Floor South
2:15	High Performance Parallelism Pearls: An example of collaborative community engagements for application performance	Joe Curley, Intel	CRT Top Floor South
2:45	A collaborative optimization case study: data pre-conditioning	C.J. Newburn, Intel	CRT Top Floor South
3:15	Break		CRT Top Floor South
3:45	Compiler considerations for programming the Xeon Phi; LLVM and QDP-JIT	Rakesh Krishnaiyer, Intel; Balint Joo, Jefferson National Accelerator Laboratory	CRT Top Floor South
4:30	Software-defined visualization using the Phi	Nathan Schultz, Intel	CRT Top Floor South
5:00	The new CRT Building at Berkeley Lab	Jeff Broughton, NERSC	CRT Top Floor South
5:15	IXPUG Community All-Hands Meeting	All	CRT Top Floor South
6:00	Reception		LBNL Cafeteria
7:00	IXPUG 2015 Dinner		LBNL Cafeteria

Wednesday, September 30: Phi Optimization Workshop

Remote broadcast: https://zoom.us/j/506858130

Time	Topic	Presenter	Location
9:00	Intel(R) Xeon Phi(TM) Processor codenamed Knights Landing: Architectural Overview	Avinash Sodani, Lead KNL Architect, Intel	CRT Top Floor South
9:45	Metrics on effective vectorization and latency sensitivity	Hideki Saito & Karthik Raman, Intel	CRT Top Floor South
10:15	Break
10:45	Intel Performance Tools	Mark Lubin, Intel	CRT Top Floor South
11:15	Understanding Application Data Movement Characteristics using Intel’s VTune Amplifier and Software Development Emulator tools	Doug Doerfler, NERSC	CRT Top Floor South
11:30	Lunch
Session 1: Vectorization and data locality (subject to change!)
1:00	Tales from the trenches	Session chair: CJ Newburn, Intel	CRT Top Floor South
	GROMACS vector packing	Roland Schulz, UTK	CRT Top Floor South
	Grid: data parallel library for QCD	Peter Boyle, U Edinburgh	CRT Top Floor South
	Lessons learned from the Dungeon: optimizing the XGC1 code for Intel hardware	Stephane Ethier, PPPL	CRT Top Floor South
	OpenCL: there and back again	Matthias Noack, ZIB	CRT Top Floor South
	Explicit SIMD Vectorization in VASP	Florian Wende, ZIB	CRT Top Floor South
	Discussion
	Break
	High-Performance X-Ray Scattering Data Analysis	Abhinav Sarje, Berkeley	CRT Top Floor South
	Barriers and Memory Bandwidth	Balint Joo, Jefferson Lab	CRT Top Floor South
	Numerical Weather Prediction Optimization	Tom Henderson, NOAA	CRT Top Floor South
	Runtime Kernel Compilation for efficient vectorisation.	Matthias Noack, ZIB	CRT Top Floor South
	Discussion


3:30	Break
Session 2: Thread and cluster scaling, heterogeneous support (subject to change!)
4:00	Tales from the trenches	Session chair: CJ Newburn, Intel	CRT Top Floor South
	The Quantum Espresso NESAP Project	Taylor Barnes, LBNL	CRT Top Floor South
	Improving Thread Parallelism and Asynchronous Communication in VASP	Florian Wende, ZIB	CRT Top Floor South
	On-Node Parallelism of a Climate Mini-Application: Comparison of threading strategies on Intel	Hans Johannsen, LBNL	CRT Top Floor South
	Tiling with OpenMP in block-structured, finite-volume PDE codes	Brian Friesen, LBNL	CRT Top Floor South
	Discussion
5:00	Adjourn

Thursday, October 1: Workshops on Libraries and Programming Models

Time	Topic	Presenter	Room
9:00	Programming Models for Exascale: Challenges and Opportunities Remote broadcast: https://zoom.us/j/506858130	Kathy Yelick, LBNL Associate Director for Computing Science	CRT Top Floor South
Workshop 1: Library and Tool Readiness for KNL and Beyond (Parallel Session, see below) Remote broadcast: https://zoom.us/j/370300202
10:00	Break
10:30	Library and Application Usage at HPC Centers		CRT Conference Room 3101
10:45	Intel math libraries	Ken Craft, Intel	CRT Conference Room 3101
11:15	PETSc	Tobin Isaac, University of Texas	CRT Conference Room 3101
11:45	Sparse Solvers	Sherry Li, Berkeley Lab	CRT Conference Room 3101
12:15	Lunch
1:30	FFT Libraries	Ken Craft, Intel	CRT Conference Room 3101
1:45	I/O Libraries	Suren Byna, Berkeley Lab; Quincey Koziol, The HDF Group	CRT Conference Room 3101
2:15	Performance Tools	Srinath Vadlaman, Paratools	CRT Conference Room 3101
2:45	libsxmm: A Library for small matrix-matrix multiplications targeting Intel Architecture (x86)	Alexander Heinecke, Intel	CRT Conference Room 3101
Workshop 2: Programming Models, Languages, and Runtimes (Parallel Session, see above) Remote broadcast: Remote broadcast: https://zoom.us/j/506858130
10:00	Break
10:30	hStreams: a heterogeneous streaming library	Wojciech Wasko and CJ Newburn, Intel	CRT Top Floor South
11:00	Data container / tiling abstractions: TiDA	Tan Nguyen, Berkeley Lab	CRT Top Floor South
11:30	MPI-3 RMA (Remote Memory Access)	Jeff Hammond, Intel	CRT Top Floor South
12:00	Lunch
1:30	PGAS (UPC++)	Yili Zheng, Berkeley Lab	CRT Top Floor South
2:00	AGAS (HPX)	Bryce Lelbach	CRT Top Floor South
End of Workshops: Community Meetings
2:30-3:00	Break
	Community Meetings
3:00	NESAP All-Hands		CRT Top Floor South
	Open time for ad-hoc meetings

Friday, October 2: Community Engagements

Confirmed meetings:

Density Functional Theory (DFT) for Exascale Community Workshop, CRT Top Floor South
Porting particle accelerator codes on the Intel Xeon Phi, CRT Conference Room 3101, 9:00-3:30 PDT, Remote broadcast: https://zoom.us/j/370300202

Density Functional Theory for Exascale Community Workshop

8:30 - 9:00 Arrivals and Breakfast

9:00 - 9:20: Jeongnim Kim - Intel - Overview of KNL and how we expect it to effect DFT applications.

9:20 - 9:40: Alvaro Vazquez - ALCF - An overview to ALCF: Current and Upcoming Many-core Technologies to Accelerate Quantum Chemistry Calculations

9:40 - 10:00: Martjin Marsman - Vienna - Preparing VASP for KNL: MPI/openMP parallelization

10:00 - 10:20: Max Hutchinson - University of Chicago - Performance of accelerators in theory and in practice

10:20 - 10:40 Break

10:40 - 11:00 Francois Gygi - UC Davis - Large-Scale First-Principles Molecular Dynamics using the Qbox Code

11:00 - 11:20 Marco Govoni - University of Chicago - WEST: Scalable Software for Excited State Properties of Materials and Molecules

11:20 - 11:40 Andrea Ferretti - CNR - Yambo and Quantum-ESPRESSO as test-cases for code optimization towards exascale

11:40 - 12:00 Robert Distasio - Cornell - Enabling Large-Scale Hybrid Density Functional Theory Calculations in Condensed-Phase Systems

12:00 - 1:00 Lunch (Cafeteria)

1:00 - 2:00 DFT targeted Math library presentation from Intel’s Alexander Heinecke

2:00 - 2:10 Break

2:10 - 2:30 Lin Lin - UC Berkeley - DGDFT: A Massively Parallel Method for Large Scale Density Functional Theory Calculations

2:30 - 2:50 Lin Wang - Lawrence Berkeley National Lab - GPU calculation of the linear scaling three dimensional fragment method

2:50 - 3:10 Eric Bylaska - PNNL - Development Of Protocols To Identify The Solution Structure And The Incorporation Into Solids Of Environmentally Important Species (U, Zn, Al, Mg, Ca,…): Combining HPC And Synchrotron Light Sources

3:10 - 3:30 Georg Huhs - Barcelona Supercomputing Center - SIESTA - recent developments and future paths

3:30 - 4:00+ Panel/Group/Open Discussion on Common Challenges for DFT on Exascale.

Venue

Lawrence Berkeley National Laboratory

Computational Research and Theory Building (CRT)
1 Cyclotron Road, Bldg. 59
Berkeley, CA 94720
Tel: 510.486.4000
http://www.lbl.gov/

Lawrence Berkeley National Laboratory is a multidisciplinary national laboratory located in Berkeley, California on a hillside directly above the campus of the University of California at Berkeley. The site consists of 76 buildings located on 183 acres, which overlook both the campus and the San Francisco Bay. [More Visitor Information.]

Site Access

Beginning Monday, Sep. 28, call 510-387-0524 with urgent questions about site access and other logistics.

All non-LBNL employees attending must obtain a visitor bus pass or a visitor parking pass in advance. This applies whether you are taking the shuttle or driving. Check-in with Security and picture ID is required. LBNL Security requires the names, citizenship and country of birth of all visitors.

Please fill out this form to request site access to Berkeley Lab.

The Blackberry Canyon entrance is closest to the CRT Building. The shuttle buses stop at the 65 building or main shuttle bus stop (across the street from CRT).

Parking

Parking at LBNL is limited due to a number of construction projects. We recommend car pooling, LBNL shuttle, or taxi. If you drive, a parking space may be reserved. For those visitors who plan to drive to LBNL, we will reserve general parking near the CRT Building.

Shuttle Information

There is a Lab shuttle bus from various locations around the City of Berkeley, including near the Downtown Berkeley BART station. If you plan to take the LBNL shuttle, you are required to have an LBNL Visitor Bus Pass (requires advance notice) and picture ID to show the bus driver.

Bay Area Rapid Transit Train (BART)

The Downtown Berkeley BART station is two short blocks from the LBNL shuttle line on the corner of Addison and Shuttuck. The LBNL Blue Shuttle Bus will take you to the Blackberry Canyon entrance and the CRT Building. The CRT building is across the street from LBNL's main bus stop. [BART Web site]

Lodging

It is recommended lodging reservations be booked as early as possible. You can book a hotel anywhere in the Bay Area that has convenient access to BART and get to the meeting.

Hotel Shattuck
2086 Allston Way, Berkeley, CA 94704
Tel: 510.845.7300
Rate: $144 (LBNL rate)
http://www.hotelshattuckplaza.com/
(One short block from the Downtown Berkeley BART station and LBNL shuttle stop)

Hotel Durant
2600 Durant St., Berkeley, CA 94705
Tel: 510.845.8981
Rate: $124 (LBNL rate)

Courtyard Oakland Airport
350 Hegenberger Road, Oakland, CA 94710
Tel: 510.568.7600
Rate: $149 (available rate)
http://www.marriott.com/hotels/travel/oakap-courtyard-oakland-airport/

LBNL Guest House (Sold out as of 8/20/2015)
1 Cyclotron Road
Berkeley, CA 94720
510.495.8000
Rate: $124
http://www.berkeleylabguesthouse.org/

[Additional Lodging]

Meeting Logistics Information

Norma Early
This email address is being protected from spambots. You need JavaScript enabled to view it.
Tel: 510.486.5893
On-Site Tel: 510.387.0524