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August 2022
OPENACC AND
OPEN HACKATHONS
MONTHLY HIGHLIGHTS
2
WHAT IS OPENACC?
main()
{
<serial code>
#pragma acc kernels
{
<parallel code>
}
}
Add Simple Compiler Directive
POWERFUL & PORTABLE
Directives-based
programming model for
parallel
computing
Designed for
performance and
portability on
CPUs and GPUs
SIMPLE
Open Specification Developed by OpenACC Organization
3
silica IFPEN, RMM-DIIS on P100
OPENACC SPECIFICATION MOMENTUM
Wide Adoption Across Key HPC Codes
ANSYS Fluent
Gaussian
VASP
LSDalton
MPAS
GAMERA
GTC
XGC
ACME
FLASH
COSMO
Numeca
400+ APPS* USING OPENACC
Prof. Georg Kresse
Computational Materials Physics
University of Vienna
For VASP, OpenACC is the way forward for GPU
acceleration. Performance is similar to CUDA, and
OpenACC dramatically decreases GPU
development and maintenance efforts. We’re
excited to collaborate with NVIDIA and PGI as an
early adopter of Unified Memory.
“ “
VASP
Top Quantum Chemistry and Material Science Code
* Applications in production and development
4
WATCH NOW
Our very first digital conference focused on regional
research was held digitally on August 23-25, 2022
highlighting premier researchers from Australia, India,
Japan, Korea, and Taiwan discussing critical topics.
If you missed any live sessions, the On-Demand session
recordings are available for those that registered, for 30
days, through the event session catalog. To watch the
recordings, return to the Conference Session Catalog and
click on “Explore Sessions” to find the sessions that you
want to watch.
OPENACC AND HACKATHONS ASIA-PACIFIC
SUMMIT 2022
5
UPCOMING OPEN HACKATHONS & BOOTCAMPS
COMPLETE LIST OF EVENTS
Event Call Closes Event Date
San Diego Supercomputing Center (SDSC) N-Ways to GPU
Programming Bootcamp
September 20, 2022 October 3-4, 2022
NVIDIA/HLRS SciML GPU Bootcamp October 5, 2022 October 24-25, 2022
NCI GPU Hackathon 2022 September 21, 2022 October 24, November 2-4, 2022
NERSC GPU Hackathon 2022 September 27, 2022 November 30, December 6-8, 2022
Digital in 2022: Our virtual events continue to offer the same high-touch training and mentorship without the
hassle of travel!
6
REGISTER NOW
Explore the latest technologies and business breakthroughs.
Hear from some of the brightest minds in their industries. Get
online training, insights, and access to experts on the future
of AI and GPU programming for developers. Explore the
innovations that will impact your life’s work. Join this must-
see digital event to connect, learn and share.
Explore technical topics such as:
NVIDIA GPU TECHNOLOGY CONFERENCE (GTC)
SEPTEMBER 19-22, 2022 | DIGITAL EVENT
• Accelerated Computing and
Developer Tools
• Computer Vision
• Conversational AI/NLP
• Deep Learning
• Digital Twins and World Simulation
• Edge Computing
• Embedded Computing
• High Performance Computing
(HPC)
7
READ ARTICLE
Back in June, the EuroHPC Joint Undertaking – which
serves as the EU’s concerted supercomputing play –
announced its first exascale system: JUPITER, set to be
installed by the Jülich Supercomputing Centre (FZJ) in
2023. But EuroHPC has been preparing for the exascale
era for a much longer time: eight months before the JU
issued its call for exascale host sites, it announced 13
research projects mostly aimed at readiness for extreme-
scale computing. Three of those 13 are the “SEA” projects –
DEEP-SEA, IO-SEA and RED-SEA – which, respectively,
are aimed at preparing programming environments, data
management and storage, and interconnects for the
imminent arrival of European exascale computing.
SEA CHANGES: HOW EUROHPC IS PREPARING
FOR EXASCALE
8
LEARN MORE
The U.S. Department of Energy’s Oak Ridge National Laboratory
celebrated the debut of Frontier, the world’s fastest supercomputer
and the dawn of the exascale computing era.
ORNL CELEBRATES LAUNCH OF FRONTIER
THE WORLD’S FASTEST SUPERCOMPUTER
“Research that might once have taken weeks to complete,
Frontier will tear through in hours, even seconds. Oak Ridge
has positioned the United States to lead the world in solving
massive scientific challenges across the board.”
David Turk
Deputy Secretary of Energy
9
READ ARTICLE
The National Quantum Office of Singapore, VTT
Technical Research Centre of Finland, IQM Quantum
Computers, and CSC - IT Center for Science (Finland)
agree to explore and promote research and development
collaboration in the areas of quantum technologies.
Under the Memorandum of Understanding, the parties
aim to accelerate the development of quantum
technology hardware components, algorithms and
applications, and collaborate in the areas of quantum-
accelerated high-performance computing and both
terrestrial and satellite quantum communications.
FINLAND AND SINGAPORE’S NATIONAL
QUANTUM OFFICE SIGN MOU
10
LEARN MORE
Polaris, the newest supercomputer at the U.S.
Department of Energy’s (DOE) Argonne National
Laboratory, is now open to the research community.
The system, which is housed at the Argonne
Leadership Computing Facility (ALCF), a DOE Office
of Science user facility, provides a platform for
researchers to prepare codes and workloads for
Argonne’s upcoming Aurora exascale supercomputer.
Polaris will also support several projects focused on
using artificial intelligence (AI) for science and the
integration of large-scale research instruments with
high performance computing.
ARGONNE DEPLOYS POLARIS
OPEN FOR SCIENTIFIC RESEARCH
11
RESOURCES
We present an implementation and scaling analysis of a GPU-accelerated kernel for
HemeLB, a high-performance Lattice Boltzmann code for sparse complex geometries.
We describe the structure of the GPU implementation and we study the scalability of
HemeLB on a GPU cluster under normal operating conditions and with real-world
application cases. We investigate the effect of CUDA block size and GPU over-
subscription on the single-GPU performance, and we present a strong-scaling analysis
of multi-GPU parallel simulations using two different hardware models (P100 and V100)
and a variety of large cerebral aneurysm geometries. We find that HemeLB-GPU
achieves single-GPU speedups of 50x (P100) and 100x (V100) compared to a single
CPU core, with good scalability up to 32 GPUs. We also discuss strategies to improve
both the kernel performance as well as the scalability of HemeLB-GPU to a larger
number of GPUs. The GPU implementation supports the LBGK collision kernel,
boundary conditions for walls and inlets/outlets, and several lattice types (D3Q15,
D3Q19, D3Q27), and it integrates seamlessly with the existing infrastructure in HemeLB
for graph partitioning and parallelization via MPI. It is expected that the GPU
implementation will enable users of the HemeLB code to make better utilization of
heterogeneous high-performance computing systems for large-scale lattice Boltzmann
simulations.
READ PAPER
Paper*: GPU Acceleration of the HemeLB Code for Lattice Boltzmann
Simulations in Sparse Complex Geometries
Benjamin T. Shealy, Mehrdad Yousefi, Ashwin T. Srinath, Melissa C. Smith, and Ulf D. Schiller
FIGURE 7. Visualization of the simulated flow velocity in the cerebral
aneurysm geometries used in this study. (a) Cylinder: A straight circular
cylinder as an example of a dense lattice geometry with a fluid fraction of
78.54%. The unstructured grid consists of 3, 850, 000 lattice sites.
*This work was done in part or completely at an Open Hackathon event.
12
RESOURCES
Website: OpenHackathons.org
Technical Resources
VISIT SITE
Explore a wealth of resources for parallelization and
accelerated computing across HPC, AI and Big Data.
Review a collection of videos, presentations, GitHub
repos, tutorials, libraries, and more to help you advance
your skills and expand your knowledge.
13
STAY IN THE KNOW: JOIN THE COMMUNITY
OPENACC AND HACKATHON UPDATES
JOIN TODAY
The OpenACC Organization is dedicated to
helping the research and developer community
advance science by expanding their accelerated
and parallel computing skills.
Take an active role in influencing the future of both
the OpenACC specification and the organization
itself by becoming a member of the community.
Keep abreast of the new tools, latest resources,
recent research, and upcoming events.
WWW.OPENACC.ORG
Learn more at

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OpenACC and Open Hackathons Monthly Highlights August 2022

  • 1. August 2022 OPENACC AND OPEN HACKATHONS MONTHLY HIGHLIGHTS
  • 2. 2 WHAT IS OPENACC? main() { <serial code> #pragma acc kernels { <parallel code> } } Add Simple Compiler Directive POWERFUL & PORTABLE Directives-based programming model for parallel computing Designed for performance and portability on CPUs and GPUs SIMPLE Open Specification Developed by OpenACC Organization
  • 3. 3 silica IFPEN, RMM-DIIS on P100 OPENACC SPECIFICATION MOMENTUM Wide Adoption Across Key HPC Codes ANSYS Fluent Gaussian VASP LSDalton MPAS GAMERA GTC XGC ACME FLASH COSMO Numeca 400+ APPS* USING OPENACC Prof. Georg Kresse Computational Materials Physics University of Vienna For VASP, OpenACC is the way forward for GPU acceleration. Performance is similar to CUDA, and OpenACC dramatically decreases GPU development and maintenance efforts. We’re excited to collaborate with NVIDIA and PGI as an early adopter of Unified Memory. “ “ VASP Top Quantum Chemistry and Material Science Code * Applications in production and development
  • 4. 4 WATCH NOW Our very first digital conference focused on regional research was held digitally on August 23-25, 2022 highlighting premier researchers from Australia, India, Japan, Korea, and Taiwan discussing critical topics. If you missed any live sessions, the On-Demand session recordings are available for those that registered, for 30 days, through the event session catalog. To watch the recordings, return to the Conference Session Catalog and click on “Explore Sessions” to find the sessions that you want to watch. OPENACC AND HACKATHONS ASIA-PACIFIC SUMMIT 2022
  • 5. 5 UPCOMING OPEN HACKATHONS & BOOTCAMPS COMPLETE LIST OF EVENTS Event Call Closes Event Date San Diego Supercomputing Center (SDSC) N-Ways to GPU Programming Bootcamp September 20, 2022 October 3-4, 2022 NVIDIA/HLRS SciML GPU Bootcamp October 5, 2022 October 24-25, 2022 NCI GPU Hackathon 2022 September 21, 2022 October 24, November 2-4, 2022 NERSC GPU Hackathon 2022 September 27, 2022 November 30, December 6-8, 2022 Digital in 2022: Our virtual events continue to offer the same high-touch training and mentorship without the hassle of travel!
  • 6. 6 REGISTER NOW Explore the latest technologies and business breakthroughs. Hear from some of the brightest minds in their industries. Get online training, insights, and access to experts on the future of AI and GPU programming for developers. Explore the innovations that will impact your life’s work. Join this must- see digital event to connect, learn and share. Explore technical topics such as: NVIDIA GPU TECHNOLOGY CONFERENCE (GTC) SEPTEMBER 19-22, 2022 | DIGITAL EVENT • Accelerated Computing and Developer Tools • Computer Vision • Conversational AI/NLP • Deep Learning • Digital Twins and World Simulation • Edge Computing • Embedded Computing • High Performance Computing (HPC)
  • 7. 7 READ ARTICLE Back in June, the EuroHPC Joint Undertaking – which serves as the EU’s concerted supercomputing play – announced its first exascale system: JUPITER, set to be installed by the Jülich Supercomputing Centre (FZJ) in 2023. But EuroHPC has been preparing for the exascale era for a much longer time: eight months before the JU issued its call for exascale host sites, it announced 13 research projects mostly aimed at readiness for extreme- scale computing. Three of those 13 are the “SEA” projects – DEEP-SEA, IO-SEA and RED-SEA – which, respectively, are aimed at preparing programming environments, data management and storage, and interconnects for the imminent arrival of European exascale computing. SEA CHANGES: HOW EUROHPC IS PREPARING FOR EXASCALE
  • 8. 8 LEARN MORE The U.S. Department of Energy’s Oak Ridge National Laboratory celebrated the debut of Frontier, the world’s fastest supercomputer and the dawn of the exascale computing era. ORNL CELEBRATES LAUNCH OF FRONTIER THE WORLD’S FASTEST SUPERCOMPUTER “Research that might once have taken weeks to complete, Frontier will tear through in hours, even seconds. Oak Ridge has positioned the United States to lead the world in solving massive scientific challenges across the board.” David Turk Deputy Secretary of Energy
  • 9. 9 READ ARTICLE The National Quantum Office of Singapore, VTT Technical Research Centre of Finland, IQM Quantum Computers, and CSC - IT Center for Science (Finland) agree to explore and promote research and development collaboration in the areas of quantum technologies. Under the Memorandum of Understanding, the parties aim to accelerate the development of quantum technology hardware components, algorithms and applications, and collaborate in the areas of quantum- accelerated high-performance computing and both terrestrial and satellite quantum communications. FINLAND AND SINGAPORE’S NATIONAL QUANTUM OFFICE SIGN MOU
  • 10. 10 LEARN MORE Polaris, the newest supercomputer at the U.S. Department of Energy’s (DOE) Argonne National Laboratory, is now open to the research community. The system, which is housed at the Argonne Leadership Computing Facility (ALCF), a DOE Office of Science user facility, provides a platform for researchers to prepare codes and workloads for Argonne’s upcoming Aurora exascale supercomputer. Polaris will also support several projects focused on using artificial intelligence (AI) for science and the integration of large-scale research instruments with high performance computing. ARGONNE DEPLOYS POLARIS OPEN FOR SCIENTIFIC RESEARCH
  • 11. 11 RESOURCES We present an implementation and scaling analysis of a GPU-accelerated kernel for HemeLB, a high-performance Lattice Boltzmann code for sparse complex geometries. We describe the structure of the GPU implementation and we study the scalability of HemeLB on a GPU cluster under normal operating conditions and with real-world application cases. We investigate the effect of CUDA block size and GPU over- subscription on the single-GPU performance, and we present a strong-scaling analysis of multi-GPU parallel simulations using two different hardware models (P100 and V100) and a variety of large cerebral aneurysm geometries. We find that HemeLB-GPU achieves single-GPU speedups of 50x (P100) and 100x (V100) compared to a single CPU core, with good scalability up to 32 GPUs. We also discuss strategies to improve both the kernel performance as well as the scalability of HemeLB-GPU to a larger number of GPUs. The GPU implementation supports the LBGK collision kernel, boundary conditions for walls and inlets/outlets, and several lattice types (D3Q15, D3Q19, D3Q27), and it integrates seamlessly with the existing infrastructure in HemeLB for graph partitioning and parallelization via MPI. It is expected that the GPU implementation will enable users of the HemeLB code to make better utilization of heterogeneous high-performance computing systems for large-scale lattice Boltzmann simulations. READ PAPER Paper*: GPU Acceleration of the HemeLB Code for Lattice Boltzmann Simulations in Sparse Complex Geometries Benjamin T. Shealy, Mehrdad Yousefi, Ashwin T. Srinath, Melissa C. Smith, and Ulf D. Schiller FIGURE 7. Visualization of the simulated flow velocity in the cerebral aneurysm geometries used in this study. (a) Cylinder: A straight circular cylinder as an example of a dense lattice geometry with a fluid fraction of 78.54%. The unstructured grid consists of 3, 850, 000 lattice sites. *This work was done in part or completely at an Open Hackathon event.
  • 12. 12 RESOURCES Website: OpenHackathons.org Technical Resources VISIT SITE Explore a wealth of resources for parallelization and accelerated computing across HPC, AI and Big Data. Review a collection of videos, presentations, GitHub repos, tutorials, libraries, and more to help you advance your skills and expand your knowledge.
  • 13. 13 STAY IN THE KNOW: JOIN THE COMMUNITY OPENACC AND HACKATHON UPDATES JOIN TODAY The OpenACC Organization is dedicated to helping the research and developer community advance science by expanding their accelerated and parallel computing skills. Take an active role in influencing the future of both the OpenACC specification and the organization itself by becoming a member of the community. Keep abreast of the new tools, latest resources, recent research, and upcoming events.