Stay up-to-date on the latest news, research, and resources. This month's edition covers 2024 predictions across the HPC and AI industry, NSF's National Artificial Intelligence Research Resource (NAIRR) pilot, the role of compilers in scientific computing, on-demand and upcoming webinars, and more!

1. January 2024
OPENACC AND
OPEN HACKATHONS
MONTHLY HIGHLIGHTS

2. 2
WHO IS OPENACC?
The OpenACC Organization is dedicated to helping the research and
developer community advance science by expanding their accelerated
and parallel computing skills.
3 Areas of Focus
Ecosystem
Development
Training/Education
OpenACC
Specification
Participating in work that enables
and/or advances interoperability of
parallel programming models in
compilers or tools with the vision of
transitioning to standard language
parallelism.
Managing one of the leading
hackathon series, our events have
been instrumental in training
thousands of domain experts and
accelerating over 550 scientific
applications using a variety of
programming models and tools.
Developing and utilizing the
OpenACC directives-based
programming model to port,
accelerate, or optimize scientific
applications.

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
READ THE ARTICLE
Take a peek at predictions across a range of developments,
trends and challenges facing the industry in 2024 as posed
by HPC-AI strategists.
Among the topics covered are generative AI, AI-empowered
agents as an interconnected ecosystem, large language
models (LLMs), data management and storage, quantum
computing, and more.
PREDICTIONS FOR 2024
HPC-AI, GenAI, and Quantum…Oh My

5. 5
UPCOMING OPEN HACKATHONS & BOOTCAMPS
COMPLETE LIST OF EVENTS
Event Call Closes Event Date
Poland End-to-End LLM Bootcamp February 14, 2024 March 3-7, 2024
EuroCC2 N-Ways to GPU Programming Bootcamp February 20, 2024 April 3-5, 2024
AI for Science Bootcamp April 3, 2024 April 17-18, 2024
Helmholtz Open Hackathon February 7, 2024 April 15, 23-25, 2024
Georgia Tech Open Hackathon March 6, 2024 April 23, 30, May 1-2, 2024
EuroCC2 Multi-GPU Programming Bootcamp March 26, 2024 May 6-7, 2024
IDRIS AI for Science Bootcamp February 6, 2024 May 23, 2024
CINECA Open Hackathon March 6, 2024 May 21, 28-30, 2024
Digital in 2024: Our virtual events continue to offer the same high-touch training and mentorship without the
hassle of travel!

6. 6
LEARN MORE
Partnering with 10 other federal agencies and 25 private sector,
nonprofit, and philanthropic organizations, the U.S. National Science
Foundation launched the National Artificial Intelligence Research
Resource (NAIRR) pilot. This pilot will provide access to advanced
computing, datasets, models, software, training and user support to
U.S.-based researchers and educators.
By investing in AI research through the NAIRR pilot, the United States
unleashes discovery and impact and bolsters its global competitiveness.
To continue leading in AI research and development, we must create
opportunities across the country to advance AI innovation and strengthen
educational opportunities, empowering the nation to shape international
standards and igniting economic growth.
“
“
Sethuraman Panchanathan
Director
National Science Foundation
NSF LAUNCHES NATIONAL AI RESEARCH PILOT
Democratizing AI Research and Development

7. 7
READ THE BLOG
Compiler directives, like OpenACC and OpenMP, have played an
important role in accelerated scientific computing, especially for
imperative languages like Fortran. Directives typically provide a
parallel programming model for legacy software, making them
useful for exploring new architectural features in a wide range of
scientific applications, as well as enhance software portability.
Thomas Schulthess from CSCS discusses the role of compiler
directives such as OpenACC in accelerated scientific computing,
especially for imperative languages like Fortran in legacy
applications such as the ICON model.
DIRECTIVES IN SCIENTIFIC COMPUTING
Thomas Schulthess Presents His Thoughts

8. 8
WATCH NOW
Watch our on-demand webinar as Spencer Bryngelson, assistant
professor from Georgia Institute of Technology, discusses how his
team implemented a porting strategy for GPU acceleration of
multiphase and compressible flow solvers to address the challenges
of long wall clock times, memory-bound methods, and prohibitive
communication and I/O times to achieve large speedups at scale.
Using a trio of approaches—OpenACC for offloading, Fypp to reveal
hidden compile-time optimizations, and NVIDIA CUDA-aware MPI
for remote direct memory access—the team was able to make
efficient use of the latest leadership-class systems.
MULTIPHASE FLOW SIMULATION USING OPENACC
Achieving Scale on Leadership-Class Systems

9. 9
REGISTER NOW
In this webinar, Elijah MacCarthy from Oak Ridge National
Laboratory discusses the porting techniques for
GPU-I-TASSER, a top protein structure prediction tool
developed from the Iterative Threading ASSEmbly
Refinement (ITASSER) method.
Learn how to handle the compute-intensive energy
calculations and data-intensive replica exchanges of the
ITASSER pipeline by porting bottlenecked regions to
GPUs using OpenACC to observe an average 10X
performance gain.
UPCOMING WEBINAR:
Experiences Porting ITASSER Using OpenACC
February 27, 2024 | 10 AM PDT

10. 10
RESOURCES
We propose a program code for reverse Monte Carlo (RMC) modeling of two-
dimensional scattering patterns using a combination of OpenACC and cuFFT. The RMC
method estimates the three-dimensional positions of nanoparticles (NPs) in polymer
matrices to fit scattering data of NPs observed in X-ray and neutron experiments. The
scattering data can be calculated as the convolution sum of the three-dimensional
Fourier transform of the three-dimensional density distributions of NPs using the particle-
mesh approach. To speed up the graphics processing unit (GPU) calculations, we
implement a code by combining the OpenACC standard and cuFFT library and minimize
the data transfer between the GPU and host. This program is publicly available and can
facilitate RMC analysis of two-dimensional scattering patterns to model NP morphologies
in various polymer materials.
READ PAPER
Paper: Two-dimensional Pattern Reverse Monte Carlo
Analysis of Nanoparticles in Polymer Matrices Using a
Combination of OpenACC and cuFFT
Katsumi Hagita and Tetsuo Tominaga

11. 11
RESOURCES
Documentation: OpenACC Programming
And Best Practices Guide
VIEW GUIDE
Explore a wealth of resources for writing portable code,
assessing application performance, and understanding
and exploring the OpenACC directives-based
programming model for parallelization and accelerated
computing.
This guide covers the OpenACC directives syntax,
profiling, parallelizing and optimizing loops, handling data,
interoperability and advanced features of the specification.

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.

13. WWW.OPENACC.ORG
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