July 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
LEARN MORE
Our annual OpenACC and Hackathons Summit is right
around the corner, showcasing leading modeling, simulation,
and AI initiatives from preeminent research organizations,
supercomputing centers and academic institutions.
This year’s event features AI and HPC tutorials, invited
speakers, and two daily keynotes:
OPENACC AND HACKATHONS SUMMIT 2022
Portability Within the Upcoming European
Exascale Infrastructure
Dirk Pleiter, KTH Royal Institute of Technology
PDC Center for High Performance Computing
Having it all. Can Software Be Productive,
Performant and Portable?
Chris Maynard, University of Reading
5
UPCOMING OPEN HACKATHONS & BOOTCAMPS
COMPLETE LIST OF EVENTS
Event Call Closes Event Date
NSM India Weather and Climate GPU Bootcamp July 22, 2022 August 2-4, 2022
NCI and NSCC OpenACC GPU Bootcamp July 29, 2022 August 17-18, 2022
NERSC AI for Science Bootcamp July 6, 2022 July 25-26, 2022
NCC Portugal AI for Science Bootcamp September 5, 2022 September 12-13, 2022
NVIDIA/HLRS SciML GPU Bootcamp October 5, 2022 October 24-25, 2022
OLCF GPU Hackathon 2022 August 10, 2022 October 17, 25-27, 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
Our very first digital conference focused on regional research,
kicks off on August 23rd with a full agenda. This year’s digital
conference highlights premier researchers from Australia, India,
Japan, Korea, and Taiwan discussing critical topics from AI-
enabled physics to libraries and frameworks for HPC to porting
scientific applications to modern architectures.
Featured speakers include:
OPENACC AND HACKATHONS ASIA-PACIFIC
SUMMIT 2022
• Alankar Alankar, Indian Institute of
Technology, Bombay
• Igor Bray, Curtin University
• Cheol Ho Choi, Kyungpook National
University
• Ryohei Kobayashi, University of
Tsukuba
• Hyunju Chang, Korea Research
Institute of Chemical Technology
• Eh Tan, Institute of Earth Sciences,
Academia Sinica
• Mitsuhisa Sato, RIKEN R-CCS
• Mahesh Bhargava, C-DAC
• Seungwon Lee, Samsung Advanced
Institute of Technology (SAIT)
• Tetsuya Hoshino, The University
of Tokyo
7
LEARN MORE
The NVIDIA Applied Research Accelerator Program supports
research projects that have the potential to make a real-world
impact through the deployment of NVIDIA-accelerated
applications adopted by commercial and government
organizations.
This program accelerates development and adoption by
providing access to technical guidance, hardware, and
funding based on project requirements, maturity, and impact.
Program Benefits
NVIDIA APPLIED RESEARCH ACCELERATOR
PROGRAM
• Accelerate Anywhere
• NVIDIA Technical Expertise
• Grant Application Support
• Networking Opportunities
8
READ ARTICLE
The open source GCC (GNU Compiler Collection) has
“voted” to approve the contribution of the Rust Frontend
(aka GCC Rust) to GCC.
David Edelsohn, a founding member of the GCC Steering
Committee, said in a statement: “we look forward to
including a preliminary, beta version of GCC Rust in GCC
13.”
GCC typically has an annual release schedule. Version 12.1
was released in May 2022 so we might expect GCC 13,
currently in Stage 1 of its development according to the
GCC development plan, around May next year.
RUST GCC FRONT END APPROVED
BETA EXPECTED IN GCC 13
9
RESOURCES
Paper: Developing an ELM Ecosystem Dynamics
Model on GPU with OpenACC
Peter Schwartz, Dali Wang, Fengming Yuan and Peter Thornton
READ PAPER
Porting a complex scientific code, such as the E3SM land model (ELM), onto a new
computing architecture is challenging. The paper presents design strategies and
technical approaches to develop an ELM ecosystem dynamics model with compiler
directives (OpenACC) on NVIDIA GPUs. The code has been refactored with advanced
OpenACC features (such as deepcopy and routine directives) to reduce memory
consumption and to increase the levels of parallelism through parallel loop
reconstruction and new data structures. As a result, the optimized parallel
implementation achieved more than a 140-time speedup (50 ms vs 7600 ms),
compared to a naive implementation that uses OpenACC routine directive and
parallelizes the code across existing loops on a single NVIDIA V100. On a fully loaded
computing node with 44 CPUs and 6 GPUs, the code achieved over a 3.0-times
speedup, compared to the original code on the CPU. Furthermore, the memory footprint
of the optimized parallel implementation is 300 MB, which is around 15% of the 2.15 GB
of memory consumed by a naive implementation. This study is the first effort to develop
the ELM component on GPUs efficiently to support ultra-high-resolution land
simulations at continental scales
10
RESOURCES
Paper: FluTAS: A GPU-Accelerated Finite Difference Code for
Multiphase Flows
Marco Crialesi-Esposito, Nicolò Scapin, Andreas D. Demou,
Marco Edoardo Rosti, Pedro Costa, Filippo Spiga,
and Luca Brandt
We present the Fluid Transport Accelerated Solver, FluTAS, a scalable GPU code for
multiphase flows with thermal effects. The code solves the incompressible Navier-
Stokes equation for two-fluid systems, with a direct FFTbased Poisson solver for the
pressure equation. The interface between the two fluids is represented with the Volume
of Fluid (VoF) method, which is mass conserving and well suited for complex flows
thanks to its capacity of handling topological changes. The energy equation is explicitly
solved and coupled with the momentum equation through the Boussinesq
approximation. The code is conceived in a modular fashion so that different numerical
methods can be used independently, the existing routines can be modified, and new
ones can be included in a straightforward and sustainable manner. FluTAS is written in
modern Fortran and parallelized using hybrid MPI/OpenMP in the CPU-only version and
accelerated with OpenACC directives in the GPU implementation. We present different
benchmarks to validate the code, and two large-scale simulations of fundamental
interest in turbulent multiphase flows: isothermal emulsions in HIT and two-layer
Rayleigh-Bénard convection. FluTAS is distributed through a MIT license and arises
from a collaborative effort of several scientists, aiming to become a flexible tool to study
complex multiphase flows.
READ PAPER
Figure 9: Render for the iso-contour of the volume fraction value φ =
0.5. Lateral planes show the modulus of the vorticity field.
11
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.
12
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: July 2022.pptx

  • 1. July 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 LEARN MORE Our annual OpenACC and Hackathons Summit is right around the corner, showcasing leading modeling, simulation, and AI initiatives from preeminent research organizations, supercomputing centers and academic institutions. This year’s event features AI and HPC tutorials, invited speakers, and two daily keynotes: OPENACC AND HACKATHONS SUMMIT 2022 Portability Within the Upcoming European Exascale Infrastructure Dirk Pleiter, KTH Royal Institute of Technology PDC Center for High Performance Computing Having it all. Can Software Be Productive, Performant and Portable? Chris Maynard, University of Reading
  • 5. 5 UPCOMING OPEN HACKATHONS & BOOTCAMPS COMPLETE LIST OF EVENTS Event Call Closes Event Date NSM India Weather and Climate GPU Bootcamp July 22, 2022 August 2-4, 2022 NCI and NSCC OpenACC GPU Bootcamp July 29, 2022 August 17-18, 2022 NERSC AI for Science Bootcamp July 6, 2022 July 25-26, 2022 NCC Portugal AI for Science Bootcamp September 5, 2022 September 12-13, 2022 NVIDIA/HLRS SciML GPU Bootcamp October 5, 2022 October 24-25, 2022 OLCF GPU Hackathon 2022 August 10, 2022 October 17, 25-27, 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 Our very first digital conference focused on regional research, kicks off on August 23rd with a full agenda. This year’s digital conference highlights premier researchers from Australia, India, Japan, Korea, and Taiwan discussing critical topics from AI- enabled physics to libraries and frameworks for HPC to porting scientific applications to modern architectures. Featured speakers include: OPENACC AND HACKATHONS ASIA-PACIFIC SUMMIT 2022 • Alankar Alankar, Indian Institute of Technology, Bombay • Igor Bray, Curtin University • Cheol Ho Choi, Kyungpook National University • Ryohei Kobayashi, University of Tsukuba • Hyunju Chang, Korea Research Institute of Chemical Technology • Eh Tan, Institute of Earth Sciences, Academia Sinica • Mitsuhisa Sato, RIKEN R-CCS • Mahesh Bhargava, C-DAC • Seungwon Lee, Samsung Advanced Institute of Technology (SAIT) • Tetsuya Hoshino, The University of Tokyo
  • 7. 7 LEARN MORE The NVIDIA Applied Research Accelerator Program supports research projects that have the potential to make a real-world impact through the deployment of NVIDIA-accelerated applications adopted by commercial and government organizations. This program accelerates development and adoption by providing access to technical guidance, hardware, and funding based on project requirements, maturity, and impact. Program Benefits NVIDIA APPLIED RESEARCH ACCELERATOR PROGRAM • Accelerate Anywhere • NVIDIA Technical Expertise • Grant Application Support • Networking Opportunities
  • 8. 8 READ ARTICLE The open source GCC (GNU Compiler Collection) has “voted” to approve the contribution of the Rust Frontend (aka GCC Rust) to GCC. David Edelsohn, a founding member of the GCC Steering Committee, said in a statement: “we look forward to including a preliminary, beta version of GCC Rust in GCC 13.” GCC typically has an annual release schedule. Version 12.1 was released in May 2022 so we might expect GCC 13, currently in Stage 1 of its development according to the GCC development plan, around May next year. RUST GCC FRONT END APPROVED BETA EXPECTED IN GCC 13
  • 9. 9 RESOURCES Paper: Developing an ELM Ecosystem Dynamics Model on GPU with OpenACC Peter Schwartz, Dali Wang, Fengming Yuan and Peter Thornton READ PAPER Porting a complex scientific code, such as the E3SM land model (ELM), onto a new computing architecture is challenging. The paper presents design strategies and technical approaches to develop an ELM ecosystem dynamics model with compiler directives (OpenACC) on NVIDIA GPUs. The code has been refactored with advanced OpenACC features (such as deepcopy and routine directives) to reduce memory consumption and to increase the levels of parallelism through parallel loop reconstruction and new data structures. As a result, the optimized parallel implementation achieved more than a 140-time speedup (50 ms vs 7600 ms), compared to a naive implementation that uses OpenACC routine directive and parallelizes the code across existing loops on a single NVIDIA V100. On a fully loaded computing node with 44 CPUs and 6 GPUs, the code achieved over a 3.0-times speedup, compared to the original code on the CPU. Furthermore, the memory footprint of the optimized parallel implementation is 300 MB, which is around 15% of the 2.15 GB of memory consumed by a naive implementation. This study is the first effort to develop the ELM component on GPUs efficiently to support ultra-high-resolution land simulations at continental scales
  • 10. 10 RESOURCES Paper: FluTAS: A GPU-Accelerated Finite Difference Code for Multiphase Flows Marco Crialesi-Esposito, Nicolò Scapin, Andreas D. Demou, Marco Edoardo Rosti, Pedro Costa, Filippo Spiga, and Luca Brandt We present the Fluid Transport Accelerated Solver, FluTAS, a scalable GPU code for multiphase flows with thermal effects. The code solves the incompressible Navier- Stokes equation for two-fluid systems, with a direct FFTbased Poisson solver for the pressure equation. The interface between the two fluids is represented with the Volume of Fluid (VoF) method, which is mass conserving and well suited for complex flows thanks to its capacity of handling topological changes. The energy equation is explicitly solved and coupled with the momentum equation through the Boussinesq approximation. The code is conceived in a modular fashion so that different numerical methods can be used independently, the existing routines can be modified, and new ones can be included in a straightforward and sustainable manner. FluTAS is written in modern Fortran and parallelized using hybrid MPI/OpenMP in the CPU-only version and accelerated with OpenACC directives in the GPU implementation. We present different benchmarks to validate the code, and two large-scale simulations of fundamental interest in turbulent multiphase flows: isothermal emulsions in HIT and two-layer Rayleigh-Bénard convection. FluTAS is distributed through a MIT license and arises from a collaborative effort of several scientists, aiming to become a flexible tool to study complex multiphase flows. READ PAPER Figure 9: Render for the iso-contour of the volume fraction value φ = 0.5. Lateral planes show the modulus of the vorticity field.
  • 11. 11 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.
  • 12. 12 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.