Stay up-to-date with the OpenACC Monthly Highlights. June's edition covers the OpenACC Summit 2021, NVIDIA GTC'21 on-demand sessions, upcoming GPU Hackathons and Bootcamps, Intersect360 Research HPC market forecast, recent research, new resources and more!

1. June 2021
OPENACC 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.org Consortium

3. 3
silica IFPEN, RMM-DIIS on P100
OPENACC GROWING MOMENTUM
Wide Adoption Across Key HPC Codes
ANSYS Fluent
Gaussian
VASP
LSDalton
MPAS
GAMERA
GTC
XGC
ACME
FLASH
COSMO
Numeca
230+ 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
Expanding from the annual meeting, the OpenACC Summit
brings together users of the OpenACC programming model,
members of the OpenACC organization, and the scientific
computing community across national laboratories, research
institutions and industry.
This year’s Summit is completely online and features a
keynote, Birds-of-a-Feather (BoF) interactive discussion,
invited talks, and a “Connect with Experts” session.
SAVE THE DATE: OPENACC SUMMIT 2021
SEPTEMBER 14-15, 2021 | DIGITAL EVENT

5. 5
DON’T MISS THESE UPCOMING EVENTS
COMPLETE LIST OF EVENTS
Event Call Closes Event Date
C-DAC HPC Hackathon 2021 July 6, 2021 July 26, August 2-4, 2021
NVIDIA AI for Science Bootcamp July 18, 2021 July 28-29, 2021
MCIT & NVIDIA AI for Science Bootcamp July 31, 2021 August 13-14, 2021
EPFL OpenACC Bootcamp August 26, 2021 September 9-10, 2021
NASA Hackathon 2021 July 20, 2021 September 20, 27-29, 2021
CSCS GPU Hackathon 2021 July 13, 2021 September 20, 27-29, 2021
NCHC GPU Hackathon 2021 August 5, 2021 October 5, 12-14, 2021
Digital in 2021: Many of our events will continue to happen digitally! Get the same high-touch training and
mentorship without the hassle of travel!

6. 6
VIEW ON-DEMAND
NVIDIA's GPU Technology Conference (GTC) is the premier digital
conference to discover the advanced technologies that are
transforming today's industries.
View GTC On-Demand for the technical talks, interactive panels
and training covering OpenACC and GPU Hackathon topics at the
intersection of HPC, AI and Data Science.
Registration for NVIDIA's developer program is required to view
content.
DON’T DELAY, HIT REPLAY
NVIDIA GTC21 ON DEMAND

7. 7
READ THE BLOG
Quantum mechanics (QM), a theory that describes the physical
properties of nature on the atomic and subatomic scale, is the
basis for molecular and materials scientists but QM calculations
require tremendous computer power.
A small team of postdoctoral scholars led by Andreas Goetz
from the San Diego Supercomputer Center (SDSC) at UC San
Diego and his colleague Kenneth Merz at Michigan State
University (MSU) developed software that takes advantage of
powerful GPUs for these complex QM calculations of
molecules.
Learn more about this seminal research, initiated partly at the
first digital GPU Hackathon co-hosted with SDSC, OpenACC
and NVIDIA.
A QUANTUM LEAP FOR MOLECULAR
SIMULATIONS ON GPUS
Image credit: M. Manathunga, A. W. Goetz,
B. Tolo

8. 8
READ THE PAPER
The High Energy Physics (HEP) experiments, such as those at
the Large Hadron Collider (LHC), traditionally consume large
amounts of CPU cycles for detector simulations and data
analysis, but rarely use compute accelerators such as GPUs. As
the LHC is upgraded to allow for higher luminosity, relying on
CPUs may not provide enough compute power.
A team from Brookhaven National Laboratory, Lawrence
Berkeley National Laboratory and University of California,
Berkeley investigate the feasibility of porting a HEP
parameterized calorimeter simulation code to GPUs.
Learn more about their approach using CUDA, initiated partly at
the Brookhaven GPU Hackathon.
PORTING HEP PARAMETERIZED
CALORIMETER SIMULATION CODE TO GPUS
Figure 1: Normalized timing of multiple concurrent jobs running
on the same node sharing GPUs with nvidia-cuda-mps-server.

9. 9
VIEW THE ARTICLE
Argonne National Laboratory (Argonne) in collaboration with Oak
Ridge National Laboratory (ORNL), has awarded Codeplay
Software a contract implementing the oneAPI DPC++ compiler,
an implementation of the SYCL open standard software, to
support AMD GPU-based high-performance compute (HPC)
supercomputers.
Both institutions will be deploying exascale supercomputers,
capable of processing 1018 calculations per second, and
enabling SYCL open standard will provide another common
programming model to develop scientific applications for
heterogenous compute environments.
CODEPLAY AWARDED CONTRACT TO
STRENGTHEN SYCL SUPPORT
Image credit: Intel
Image credit: ORNL

10. 10
READ THE ARTICLE
Despite the uncertainty fueled by the pandemic, the broad HPC
market finished 2020 at $38.9 billion in revenue and has returned to
its growth track, projected to reach $60 billion in 2025, as reported
by Intersect360 Research.
While several HPC sectors slowed, surging government spending
to fight the pandemic and ongoing supercomputer market strength
helped prevent an HPC freefall. Notworthy, HPC-related cloud
spending soared 78.8 percent and HPC storage nudged up slightly.
INTERSECT360: HPC MARKET REBOUNDING
ON TRACK TO REACH $60 BILLION IN 2025

11. 11
LEARN MORE
At ISC High Performance 2021, a European virtual conference
for high-performance computing (HPC), the Oak Ridge
Leadership Computing Facility’s (OLCF’s) supercomputer
Summit was ranked as the world’s second-fastest
supercomputer in the 57th TOP500 list.
But it also took second place in a relatively new benchmark
test apart from the main competition: High-Performance
Linpack–Accelerator Introspection (HPL-AI). The HPL-AI
benchmark seeks to highlight the emerging convergence of
high-performance computing (HPC) and artificial intelligence
(AI) workloads.
BENCHMARKING MIXED-PRECISION
PERFORMANCE

12. 12
RESOURCES
Paper: Practical parallelization of scientific
applications with OpenMP, OpenACC and MPI
Marco Aldinucci, Valentina Cesare, Iacopo Colonnelli, Alberto
Riccardo Martinelli, Gianluca Mittone, Barbara Cantalupo, Carlo
Cavazzoni, and Maurizio Drocco
This work aims at distilling a systematic methodology to modernize existing
sequential scientific codes with a little re-designing effort, turning an old codebase
into modern code, i.e., parallel and robust code. We propose a semi-automatic
methodology to parallelize scientific applications designed with a purely sequential
programming mindset, possibly using global variables, aliasing, random number
generators, and stateful functions. We demonstrate that the same methodology
works for the parallelization in the shared memory model (via OpenMP), message
passing model (via MPI), and General Purpose Computing on GPU model (via
OpenACC). The method is demonstrated parallelizing four real-world sequential
codes in the domain of physics and material science. The methodology itself has
been distilled in collaboration with MSc students of the Parallel Computing course
at the University of Torino, that applied it for the first time to the project works that
they presented for the final exam of the course. Every year the course hosts some
special lectures from industry representatives, who present how they use parallel
computing and offer codes to be parallelized.
READ PAPER

13. 13
RESOURCES
Website: GPUHackathons.org
Technical Resources
VISIT SITE
Explore a wealth of resources for GPU-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.

14. 14
LEARN MORE
Are you passionate about science and technology? Want to help
researchers accelerate their scientific codes or refine their AI projects?
Become a GPU Hackathon mentor and connect scientists to available
tools, techniques and GPU architectures. Sharpen your skills, learn about
the latest research efforts, and collaborate across the computing and
scientific community. Certification is available for HPC and AI pathways.
BECOME A GPU HACKATHON MENTOR
I strongly believe in the concept of community science. Scientists
should not be siloed; they should be continually contributing their
codes back and working collaboratively on projects at these GPU
Hackathons.
“ “
Max Katz
Senior Solutions Architect, NVIDIA
Mentor for GPU Hackathons

15. 15
STAY IN THE KNOW:
JOIN THE OPENACC COMMUNITY
JOIN TODAY
The OpenACC specification is designed for, and
by, users meaning that the OpenACC organization
relies on our users’ active participation to shape
the specification and to educate the scientific
community on its use.
Take an active role in influencing the future of both
the OpenACC specification and the organization
itself by becoming a member of the community.

16. WWW.OPENACC.ORG
Learn more at