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Tuesday, February 25
 

8:00am CST

Check-in + Breakfast
Tuesday February 25, 2025 8:00am - 8:30am CST
Tuesday February 25, 2025 8:00am - 8:30am CST
Auditorium + Exhibit Hall

8:30am CST

BOF | Sustainability: Energy Effectiveness and Cooling Future Processors and Accelerators
Tuesday February 25, 2025 8:30am - 9:30am CST
Speakers:
  • Peter Debock - Advanced Research Projects Agency-Energy (ARPA-E)
  • Keith Gray - TotalEnergies
  • Michael Gujral - Shell
  • Greg Huff - Lenovo
  • Tommy Minyard - Texas Advanced Computing Center (TACC)
  • Tejas Shah, ME - Principal Engineer, Intel Corporation
  • Austin M. Shelnutt, MS, PE - President, Strategic Thermal Labs
  • Punith Shivaprasad - Shell
  • Mark Steinke - NVIDIA

Tuesday February 25, 2025 8:30am - 9:30am CST
Auditorium

9:30am CST

Morning Coffee Break
Tuesday February 25, 2025 9:30am - 10:00am CST
Tuesday February 25, 2025 9:30am - 10:00am CST
Exhibit Hall

10:00am CST

Welcome | Day 1
Tuesday February 25, 2025 10:00am - 10:10am CST
Speakers
avatar for Lydia E. Kavraki, PhD

Lydia E. Kavraki, PhD

Kenneth and Audrey Kennedy Professor of Computing; Professor of Computer Science, of lectrical & Computer Engineering, of Mechanical Engineering, and of Bioengineering; Director of the Ken Kennedy Institute, Rice University
Lydia E. Kavraki is the Kenneth and Audrey Kennedy Professor of Computing and professor of Computer Science, Electrical & Computer Engineering, Mechanical Engineering, and Bioengineering. She also serves as the director of the Ken Kennedy Institute at Rice University. Kavraki received... Read More →
avatar for Amy Dittmar, PhD

Amy Dittmar, PhD

Howard R. Hughes Provost and Executive Vice President for Academic Affairs; Professor of Finance and of Economics, Rice University
Amy Dittmar is a distinguished scholar with an extensive background in economics, finance and university administration. Dittmar came to Rice in August from the University of Michigan where she held a series of top-level administrative roles. In 2019, she served as acting provost... Read More →
avatar for Keith Gray

Keith Gray

VP for Computational Science and Engineering, TotalEnergies
Keith Gray is the VP for Research Computing at TotalEnergies. Prior to joining TotalEnergies, Keith was an HPC Advisor at Intel and the Director of HPC and Technical Computing at bp, leading the High Performance Computing team for 22 years. The team grew computing power by over 200,000... Read More →
Tuesday February 25, 2025 10:00am - 10:10am CST
Auditorium

10:10am CST

Keynote | HPC and Applied Seismology: A Long and Successful Partnership
Tuesday February 25, 2025 10:10am - 10:55am CST
Speakers
avatar for Biondo Biondi, PhD

Biondo Biondi, PhD

Barney and Estelle Professor, Stanford University
Biondo Biondi is the Barney and Estelle Morris Professor and Chair of the GeophysicsDepartment at Stanford University. He is director of the Stanford Earth imaging Project(SEP). SEP is an industry-funded academic consortium whose mission is to developinnovative seismic imaging methods... Read More →
Tuesday February 25, 2025 10:10am - 10:55am CST
Auditorium

10:55am CST

AI and HPC, or AI ends HPC?
Tuesday February 25, 2025 10:55am - 11:30am CST
Click here to view the slides.
Click here to view the recording.
​​​
AI and HPC, or AI ends HPC?

Abstract: In this talk, I'll first cover the plans for the new NSF Leadership Facility, benchmarks from the early hardware, then discuss the balance (or lack thereof) between AI and HPC In future system designs.
 
Speakers
avatar for Dan Stanzione, PhD

Dan Stanzione, PhD

Executive Director, Texas Advanced Computing Center (TACC); Associate Vice President for Research, The University of Texas at Austin
Dr. Dan Stanzione, Associate Vice President for Research at The University of Texasat Austin and Executive Director of the Texas Advanced Computing Center (TACC), is anationally recognized leader in high-performance computing and has been involved insupercomputing for more than 30... Read More →
Tuesday February 25, 2025 10:55am - 11:30am CST
Auditorium

11:30am CST

Lunch
Tuesday February 25, 2025 11:30am - 12:30pm CST
Tuesday February 25, 2025 11:30am - 12:30pm CST
Exhibit Hall

12:20pm CST

A Tour of Deep Learning Applications for Seismic Processing, Imaging, and Interpretation
Tuesday February 25, 2025 12:20pm - 12:55pm CST
Click here to view the recording.

A Tour of Deep Learning Applications for Seismic Processing, Imaging, and Interpretation

Speaker: Anatoly Baumstein, PhD (Sr. Geoscience Advisor, ExxonMobil)

Bio: Anatoly Baumstein is a Senior Geoscience Advisor at ExxonMobil. After receiving his Ph.D. in Applied Mathematics from the California Institute of Technology he joined ExxonMobil as a researcher. For most of his 27-year career Anatoly focused on developing new algorithms for seismic processing (data interpolation and reconstruction, multiple attenuation), seismic imaging (WEM and RTM), and multi-parameter full-waveform inversion (FWI). More recently, he has been leading teams working on applying machine learning to seismic processing and interpretation.

Anatoly has authored numerous papers, conference presentations, and holds over 15 granted patents on these topics. He is a member of SEG and EAGE and has been a co-organizer of workshops as well as a member of the IMAGE Technical Committee, currently serving as a key contact for the Machine Learning and Data Analytics topics. He was an invited plenary speaker at the 2019 SIAM Conference on Mathematical and Computational Issues in Geosciences. He currently serves as an Associate Editor of the Geophysics journal.


Tuesday February 25, 2025 12:20pm - 12:55pm CST
2nd Floor Room 280

12:20pm CST

Five Big Questions for HPC-AI in 2025
Tuesday February 25, 2025 12:20pm - 12:55pm CST
Click here to view the slides.
Click here to view the recording. ​​​

Five Big Questions for HPC-AI in 2025

Abstract: Addison Snell of Intersect360 Research will give an overview of the state of the HPC-AI market, focusing on major questions facing an industry at a tipping point. He will compare the needs of the energy industry to those in other HPC-AI domains, with a look toward what technologies have the potential to make the biggest impact, and what gaps exist going forward.

Speaker: Addison Snell, MBA ( Co-Founder & CEO, Intersect360 Research)

Bio: Addison Snell is a veteran of the High Performance Computing industry and the co-founder and CEO of Intersect360 Research, now in its 15th year delivering forecasts and insights for high-performance markets.
Tuesday February 25, 2025 12:20pm - 12:55pm CST
Auditorium

12:55pm CST

GPU Migration for a Seismic Imaging Software Framework at BP
Tuesday February 25, 2025 12:55pm - 1:30pm CST
Click here to view the recording​​​.

Abstract: bp’s HPC center has invested in many generations of Intel CPUs for over two decades. In December 2024, we will receive our first production-scale GPU cluster, consisting of 40x 8-way HGX-H100 compute nodes. A key use of this GPU cluster is to power seismic imaging R&D, which has ever-growing business needs for computational resources. In this talk, we will share our approach to migrate bp’s seismic imaging software framework to GPUs, the thoughts behind our decisions, and how this code migration has influenced our cluster acquisition. We will also present some runtime speedups and energy savings achieved for some production- scale acoustic RTM and FWI jobs on this GPU cluster, compared to in-house CPU nodes, to justify our path forward.

Speaker: Muhong Zhou, PhD - Senior HPC Developer, BP

Bio: Muhong Zhou is a senior HPC developer at bp, leading GPU transition for seismic imaging projects. Muhong has over a decade of experience in HPC and general software development for seismic related projects. Muhong holds a PhD in Computational and Applied Mathematics from Rice University.

Authors: Muhong Zhou (bp), Jonathan Eichelberger (bp), Kent Blancett (bp), Wanying Wang (bp), Elizabeth L'Heureux (bp), Hu Jin (bp), Xukai Shen (bp), Simon Luo (bp), Xiaolei Song (bp), Fatmir Hoxha (NVIDIA), Guillaume Thomas-Collignon (NVIDIA), Guillaume Barnier (NVIDIA) and Igor Terentyev (NVIDIA).
Tuesday February 25, 2025 12:55pm - 1:30pm CST
2nd Floor Room 280

12:55pm CST

Bridging Academia and Industry: Enhancing Wind Resource and Yield Energy Assessment through HPC-Integrated Computational Fluid Dynamics
Tuesday February 25, 2025 12:55pm - 1:30pm CST
Click here to view the recording​​​.

Bridging Academia and Industry: Enhancing Wind Resource and Yield Energy Assessment through HPC-Integrated Computational Fluid Dynamics

Speaker: Maxime Pallud, M.Sc. (Senior Research Scientist, TotalEnergies)

Bio: Maxime Pallud is a Senior Research Scientist and High Performance Computing (HPC) specialist at TotalEnergies. With a strong foundation in applied mathematics from Paris-Saclay University, France. Maxime has extensive experience in developing, parallelizing, and optimizing software across various industries. He previously led a scientific software development team at Hutchinson. Currently, Maxime oversees R&D project collaborations in renewable energies for TotalEnergies in the United States.
Tuesday February 25, 2025 12:55pm - 1:30pm CST
Auditorium

1:30pm CST

Strategic Benchmarking and Acquisition of Next-Generation Supercomputers at ExxonMobil
Tuesday February 25, 2025 1:30pm - 2:05pm CST
Click here to view the recording​​​.

Strategic Benchmarking and Acquisition of Next-Generation Supercomputers at ExxonMobil

Abstract: In the realm of high-performance computing, supercomputers are tailored for specific tasks, and not every machine can address every problem. A supercomputer optimized for one domain may face challenges when tackling problems from a different field. Selecting the next generation of supercomputers requires a meticulous benchmarking process to ensure they meet the desired performance and efficiency standards. This presentation delves into ExxonMobil’s strategic approach to acquiring new supercomputers.

Given the proprietary nature of our code, sharing it with vendors is not an option. Our code base contains hundreds of thousands of lines of code, making it impractical to compile and run on every available hardware option within the timeframe for making a purchase decision. Additionally, standard industry benchmarks might not capture the true complexities and performance characteristics of our applications. Instead, we develop synthetic applications that simulate the computational and I/O complexities of our actual workloads by identifying and mimicking bottlenecks. Understanding which parts of the code are performance-critical is essential in developing these synthetic benchmarks. These benchmarks evolve over time to reflect shifting bottlenecks, providing a reliable means to evaluate potential hardware.

Power consumption is another critical factor. Our data center operates at maximum power capacity, necessitating the decommissioning of older machines when new ones are acquired. Additionally, the timeline for hardware availability is a significant consideration. A top-tier machine arriving a year later may be less beneficial than a slightly less powerful one available within months. Understanding the performance gains and economic implications of these decisions is essential.

ExxonMobil’s decision-making process for purchasing new supercomputers involves a comprehensive analysis of benchmarking results, costs, power constraints, and hardware timelines. This thorough approach ensures that we select supercomputers that align with our computational needs and operational constraints, ultimately enhancing our performance and efficiency.

Speaker: Karthik Neerala Suresh, MS (Solution Architect – HPC Applications, ExxonMobil)

Bio: Karthik Neerala Suresh is a leading figure in high-performance computing (HPC) for seismic imaging, blending deep technical expertise with a unique philosophy on computational accuracy. With six years of intensive experience at ExxonMobil, he has built a reputation as a developer who not only understands the complexities of HPC but also drives innovation within the field. Karthik’s academic journey in Computational Mechanics, with a specialization in numerical analysis and high-performance computing from Swansea University and UPC Barcelona, laid a robust foundation for his career. His master’s degree equipped him with the skills to tackle intricate numerical challenges and leverage HPC capabilities in seismic data analysis. Professionally, Karthik has been a vital member of ExxonMobil’s team, benchmarking hardware to guide business purchase decisions. He played a key role in developing synthetic applications that accurately represent ExxonMobil’s workloads, which have been instrumental in multiple procurement processes. A strong advocate for data-driven decision-making, Karthik works tirelessly to gather information that mitigates risks in supercomputer purchases. Karthik has an extensive track record in optimizing, maintaining, and porting reverse time migration and full waveform inversion applications for both CPUs and GPUs. His hands-on experience in fine-tuning these critical seismic imaging applications demonstrates his commitment to enhancing performance while ensuring computational accuracy.

Authors: Karthik Neerala Suresh (ExxonMobil), Kirsten Byers (ExxonMobil), Rahul Sampath (ExxonMobil) and Jordan Pomeroy (ExxonMobil)
Tuesday February 25, 2025 1:30pm - 2:05pm CST
2nd Floor Room 280

1:30pm CST

From Leader to Fast Follower through the Barren Cloudy HPL Valley
Tuesday February 25, 2025 1:30pm - 2:05pm CST
Click here to view the slides
Click here to view the recording.

From Leader to Fast Follower through the Barren Cloudy HPL Valley

Speaker: Gary Grider (HPC Division Leader, Los Alamos National Laboratory)

Bio: Gary Grider is the Leader of the High Performance Computing (HPC) Division at Los Alamos National Laboratory. Los Alamos’ HPC Division operates one of the largest governmental supercomputing centers in the world focused on US National Security for the US/DOE National Nuclear Security Administration. As Division Leader, Gary is responsible for all aspects of High Performance Computing technologies and deployment at Los Alamos. Additionally, Gary is responsible for managing the R&D portfolio for keeping the new technology pipeline full to provide solutions to problems in the Lab’s HPC environment, through funding of university and industry partners. Gary has 30 granted patents in the data high performance data management area and has been working in HPC and HPC related storage since, 1984.
Tuesday February 25, 2025 1:30pm - 2:05pm CST
Auditorium

2:05pm CST

Afternoon Break
Tuesday February 25, 2025 2:05pm - 2:40pm CST
Tuesday February 25, 2025 2:05pm - 2:40pm CST
Exhibit Hall

2:40pm CST

Overview of Oak Ridge National Laboratory’s AI Initiative: Advancing Secure, Trustworthy, and Energy-Efficient AI at Scale for Scientific Discovery
Tuesday February 25, 2025 2:40pm - 3:15pm CST
Click here to view the slides.
​​​​Click here to view the recording.​​​

Overview of Oak Ridge National Laboratory’s AI Initiative: Advancing Secure, Trustworthy, and Energy-Efficient AI at Scale for Scientific Discovery

Abstract: We will present an overview of the Oak Ridge National Laboratory's Artificial Intelligence Initiative, which aims to advance the domains of science, energy, and national security. At the core of this initiative are two fundamental thrusts: transformative science applications and cross-cutting assurance. The application thrust focuses on developing AI methods to accelerate scientific discoveries, while the cross-cutting assurance thrust ensures that AI systems are secure, trustworthy, and energy-efficient. Secure approaches include alignment, privacy preservation, and robustness testing for AI models. Trustworthiness is achieved through validation and verification processes coupled with advanced techniques in uncertainty quantification and causal reasoning. Meanwhile, energy efficiency is prioritized by developing scalable solutions, integrating edge computing technologies, and adopting a holistic co-design approach that optimizes the synergy between software and hardware resources. 
Speakers
avatar for Prasanna Balaprakash, PhD

Prasanna Balaprakash, PhD

Director of AI Programs, Oak Ridge National Laboratory (ORNL)
Prasanna Balaprakash is the Director of AI Programs and Distinguished R&D Scientist at Oak Ridge National Laboratory, where he directs laboratory research, development and application of artificial intelligence and machine learning (AI/ML) to solve problems of national importance... Read More →
Tuesday February 25, 2025 2:40pm - 3:15pm CST
Auditorium

3:15pm CST

Efficient Implementation of High Order Entropy Stable Methods for Computational Fluid Dynamics
Tuesday February 25, 2025 3:15pm - 3:50pm CST
Click here to view the recording.
​​​
Efficient Implementation of High Order Entropy Stable Methods for Computational Fluid Dynamics
Speakers
avatar for Jesse Chan, PhD

Jesse Chan, PhD

Associate Professor of Computational Applied Mathematics and Operations Research, Rice University
Jesse Chan is an associate professor in the Department of Computational Applied Mathematics and Operations Research at Rice University. He received his PhD in Computational and Applied Mathematics from the University of Texas at Austin in 2013, and was a postdoc at Rice University... Read More →
Tuesday February 25, 2025 3:15pm - 3:50pm CST
Auditorium

3:50pm CST

Sponsor Networking Reception
Tuesday February 25, 2025 3:50pm - 5:30pm CST
Tuesday February 25, 2025 3:50pm - 5:30pm CST
Exhibit Hall
 
Wednesday, February 26
 

8:00am CST

Check-in + Breakfast
Wednesday February 26, 2025 8:00am - 8:30am CST
Wednesday February 26, 2025 8:00am - 8:30am CST
Auditorium + Exhibit Hall

8:30am CST

BOF | Texas Women in HPC: Workforce Development and the Rise of AI
Wednesday February 26, 2025 8:30am - 9:30am CST
Abstract: As we continue to talk about increasing diversity in HPC and the Energy sector, we should also be asking how AI will impact our future work, and how we are preparing our current workforce for advancement.

Questions to consider:
- How do we navigate using AI for work?
- How can we use AI to make our work more productive?
- How are we handling advancement in our companies, from mentoring to rotations to talent development?
- Is AI helping or hurting with advancement?
- How do we account for competing demands of family, elder care, etc.?

Speakers: 
  • Cristina Beldica, PhD, MBA - Vice President HPC Software Engineering, Intel Corporation
  • Kasia Cevallos - Microsoft 
  • Melyssa Fratkin, MBA - Industry Programs Director, Texas Advanced Computing Center (TACC) 
  • Arianna Martin - bp
  • Rosalinda Mendez, MA - CEO, NOA Research



Wednesday February 26, 2025 8:30am - 9:30am CST
Auditorium

9:30am CST

Morning Coffee Break
Wednesday February 26, 2025 9:30am - 10:00am CST
Wednesday February 26, 2025 9:30am - 10:00am CST
Exhibit Hall

10:00am CST

Welcome | Day 2
Wednesday February 26, 2025 10:00am - 10:10am CST
Speakers
avatar for David Pynadath, PhD

David Pynadath, PhD

Executive Director of the Ken Kennedy Institute, Rice University
Wednesday February 26, 2025 10:00am - 10:10am CST
Auditorium

10:10am CST

Keynote | AI and HPC in the Energy Transition
Wednesday February 26, 2025 10:10am - 10:55am CST
Speakers
avatar for Selda Gunsel, PhD

Selda Gunsel, PhD

Chief Technology Officer & Executive Vice President, Shell Technology
I am passionate about science & technology and believe in the power of technology to change the world and improve quality of life. I am proud to work for Shell where commitment to technology & innovation is at the heart of the business strategy. As the Chief Technology Officer and... Read More →
Wednesday February 26, 2025 10:10am - 10:55am CST
Auditorium

10:55am CST

Targeting Applications to First-Generation Exascale Systems
Wednesday February 26, 2025 10:55am - 11:30am CST
Click here to view the slides.
Click here to view the recording​​.

Targeting Applications to First-Generation Exascale Systems

Abstract: Aurora and Frontier are the nation’s first exascale computing systems for science and engineering, housed at Argonne and Oak Ridge National Laboratories’ Leadership Computing Facility sites, respectively. From the perspective of managing ALCF’s applications-readiness program for Aurora, the Early Science Program, and working within the Applications Integration component of the Department of Energy’s Exascale Computing Program, I will discuss experiences in developing and optimizing applications for these GPU-accelerated architectures. These applications span a wide range of science and engineering domains and include AI and data-intensive computing components—often together in multicomponent workflows. All of the project teams involved were motivated to maintain portability across both exascale platforms, as well as existing pre-exascale platforms. I will discuss their various chosen implementation means to do this, and some cross-cutting best practices.
Speakers
avatar for Timothy Williams, PhD

Timothy Williams, PhD

Deputy Director, Computational Science Division (CPS), Argonne National Laboratory
Dr. Timothy Williams is the Deputy Director of Argonne’s Computational Science Division. During 2016-2018, Tim served as Deputy Director of Science for the Argonne Leadership Computing Facility (ALCF), for which he still manages the Early Science Program. Since 2009, he has worked... Read More →
Wednesday February 26, 2025 10:55am - 11:30am CST
Auditorium

11:30am CST

Lunch
Wednesday February 26, 2025 11:30am - 12:20pm CST
Wednesday February 26, 2025 11:30am - 12:20pm CST
Exhibit Hall

12:20pm CST

Advancing Reservoir Engineering through High-Performance Computing and Neural Operators on the Cloud
Wednesday February 26, 2025 12:20pm - 12:45pm CST
Click here to view the slides.
Click here to view the recording​​​.

Advancing Reservoir Engineering through High-Performance Computing and Neural Operators on the Cloud

Abstract: Contemporary reservoir engineering applications demand extensive high-fidelity simulations that remain computationally intensive despite advances in high-performance computing. This work presents an integration of scientific machine learning with physics-based reservoir simulation through a scalable, cloud-based workflow utilizing Fourier Neural Operators (FNOs) and GPU-accelerated simulators. FNOs learn mappings between function spaces rather than Euclidean spaces, enabling superior generalization capabilities. The framework is validated using two synthetic 2-phase oil-water systems: a homogeneous case and a heterogeneous case with multi-scale property variations. Results demonstrate that our HPC-enabled FNO implementation achieves approximately 1000x speedup compared to traditional approaches while maintaining acceptable accuracy. Future work will address scaling challenges and enhanced applicability in production environments.

Speakers: 
- Karthik Mukundakrishnan - Director Of Research and Development, Stone Ridge Technology
- Vidyasagar Ananthan - Senior Solutions Architect, Amazon Web Services

Authors: Karthik Mukundakrishnan (Stone Ridge Technology), Vidyasagar Ananthan (Amazon Web
Services), Dan Kahn (Amazon Web Services) and Dmitriy Tishechkin (Amazon Web Services)
Wednesday February 26, 2025 12:20pm - 12:45pm CST
Auditorium

12:20pm CST

A Pragmatic Approach to Optimize Execution Time and Cost of Complex Coupled-Physics Codes in Chevron’s HPC
Wednesday February 26, 2025 12:20pm - 12:45pm CST
Click here to view the slides.
Click here to view the recording​​​.

A Pragmatic Approach to Optimize Execution Time and Cost of Complex Coupled-Physics Codes in Chevron’s HPC

Abstract: This work introduces pragmatic approaches for the systematic wall-clock time and execution cost optimization of complex codes, such as GEOS, in Chevron's Azure HPC environment. The target codes partition the computation at process and thread levels, need to scale to O(1000) of cores or O(100) of accelerators and run with minimal wall-clock times or cost on a diverse variety of processors and h/w platforms. We demonstrate that the performance of these codes is not a monotonically increasing function of the level of h/w resources they use, it varies with simulation model and, it is not easily assessed without running the code on specific h/w. Our approach relies on application profiling to identify Run-Time Configuration (RTC) space points (H,n_nodes,N_thr,n_{thr-rank},…) with minimal wall-clock time or cost and generate strong or weak scalability curves for each interesting simulation model. It leverages target h/w information to optimally place ranks and threads and to reduce the set of RTC points to assess, and it further “compresses” the profiling information to the optimal RTC for each specific node count. Here, n_nodes is the number of model “H” nodes, N_thr the total number of application threads, n_{thr- rank} the threads/rank and, “…” additional parameters like compiler optimization options. The profiling information among other includes initialization, linear-solve, non-linear implicit steps, and MPI times. We identify the performance of the linear and non-linear solvers with the profiling data at the best RTC point, and we gauge actual improvements as algorithms changes by SMEs. We have implemented this approach in a semi-automated run-time optimization framework. We demonstrate the ability of our methodologies to attain significant wall-clock time or cost savings results using GEOS and actual physical models. GEOS is an exascale-grade, multi-physics, multi-scale, simulation framework that advances the state-of-the-art in complex numerical analysis topics. Among others, it can simulate coupled flow, geomechanics and fracture models, including CO2 sequestration and storage, with simulation horizons of O(1000) of years.

Speaker: Michael Thomadakis, PhD - Senior Innovation and HPC R&D, Chevron Technology Center

Bio: Michael E. Thomadakis, after spending 3 ½ years at the Computer Science Department of Texas A&M University as post-doctoral and teaching faculty developing systems courses, joined the HPC Research Center at the same University where he led the design and implementation of a wide variety of supercomputer systems and carried out system and HPC application performance analysis and optimization. He subsequently joined the R&D division of the Shell Information Technology International where he evaluated, developed, and introduced innovative pre-GA technologies (Intel KNC, KNL, OmniPath, Nvidia GPUs, IB, etc.) to the HPC ecosystem. Subsequently he joined Mellanox Inc. where he analyzed and optimized the performance of several parallel distributed applications over different MPI stacks on IB fabrics. Michael is currently a senior member of the Innovation and HPC R&D division of Chevron where he is evaluating next-generation h/w and s/w technologies, optimizes parallel applications on a diverse set of h/w platforms, and is currently focusing on state-of-the-art, exascale-grade multi-physics HPC codes.

Authors:
Michael Thomadakis (Chevron Technology Center), Pavel Tomin (Chevron Technology Center), Alex Loddoch (Chevron Technology Center) and Victor Magri (Lawrence Livermore National Lab, Hypre Project)
Wednesday February 26, 2025 12:20pm - 12:45pm CST
2nd Floor Room 280

12:45pm CST

Reactive Transport Simulation in Porous Media and Implications for CCS
Wednesday February 26, 2025 12:45pm - 1:10pm CST
Reactive Transport Simulation in Porous Media and Implications for CCS

Abstract: Characterizing the chemical interaction of reactive fluids and the subsurface mineral framework is an essential, but often neglected, component of assessing risk in hydrological, geological, and engineering applications such as enhanced oil recovery (EoR), carbon capture and storage (CCS), and geological hydrogen storage. Reactive transport simulations model the dynamics of fluid flow, solute transport, and chemical interactions in a porous media to address environmental, energy, and resource management challenges. Due to the complexity of the geochemistry and large span of relevant time scales, available simulation tools often grossly simplify the models by solving the flow-transport-reaction equations for reduced systems in terms of chemical, compositional, and spatial representations. Here, we present a novel and scalable simulation framework to directly model the full chemical interaction between fluid and rock, the evolution of the rock mineralogy and porosity, and the complex chemistry of the effluent in the pore-scale of a digitized rock sample. Using the HPC resources available at bp, we demonstrate the capabilities of our software on several rocks and discuss the implications for risk management of CCS projects.

Speakers: 
- Jeremy First, PhD - HPC Computational Scientist, bp
- Yuliana Zapata, PhD - Reservoir Engineer, bp

Jeremy First bio: Computational Scientist in the bp Center for High Performance Computing. He holds a PhD in Physical Chemistry with a portfolio in biophysics from the University of Texas at Austin, and his research at bp includes chemical modeling, digital rocks, and quantum computing.

Yuliana Zapata bio: Reservoir engineer with bp. She is part of the Oil & Gas Technology team working on digital rocks and flow simulation. Yuliana holds a PhD in Petroleum Engineering from the University of Oklahoma, US.

Authors: Jeremy First (bp), Yuliana Zapata (bp), and Srivatsa Mudumba-Ramana (bp/Numerical Algorithms Group)
Wednesday February 26, 2025 12:45pm - 1:10pm CST
Auditorium

12:45pm CST

PGAS-Based Distributed OpenMP (DiOMP) for Seismic Modeling with Extension to GPU Computing
Wednesday February 26, 2025 12:45pm - 1:10pm CST
Click here to view the recording​​​.

PGAS-Based Distributed OpenMP (DiOMP) for Seismic Modeling with Extension to GPU Computing

Abstract: We presented DiOMP in [1], but in this contribution we extend this PGAS-based OpenMP distributed implementation to supports OpenMP target offloading for GPU computing. By integrating the LLVM compiler, GASNet-EX library, and corresponding memory allocation for efficient GPU memory management, DiOMP simplifies programming compared to MPI+OpenMP, while maintaining competitive performance. Evaluation with kernels and an application demonstrates DiOMP’s scalability and productivity for heterogeneous systems.

Speaker: Mauricio Araya-Polo - Senior R&D Manager HPC and ML, TotalEnergies EP Research and Technology USA

Authors: Baodi Shan (SUNY Stony Brook), Barbara Chapman (SUNY Stony Brook), and Mauricio Araya-Polo (TE EP R&T US)
Wednesday February 26, 2025 12:45pm - 1:10pm CST
2nd Floor Room 280

1:10pm CST

Hybrid Quantum/Classical Machine Learning for Molecular Conformation Generation
Wednesday February 26, 2025 1:10pm - 1:25pm CST
Click here to view the slides.
Click here to view the recording​​​.

Hybrid Quantum/Classical Machine Learning for Molecular Conformation Generation

Abstract: We present an algorithm for hybrid quantum/classical computing environments that generates low-energy conformations of small and medium size hydrocarbon molecules. Despite the importance of conformers in determining physical and chemical properties, traditional physical solvers often struggle to find low-energy conformers due to the large search space. To address this issue, we investigate the potential of using a hybrid generative adversarial network (GAN) algorithm. This algorithm trains a hybrid quantum/classical generator using a simulated photonic quantum processor and a GPU on a dataset of alkane molecules to generate conformers with a specified energy. We find the use of a quantum processor leads to higher-quality results, with the hybrid GAN producing conformers up to 50% closer to the target energy than an equivalent classical GAN.

Speaker: William Clements, PhD - Head of Applications and Software, ORCA Computing

Bio: William Clements is Head of Applications and Software at ORCA Computing, where he develops hybrid quantum/classical algorithms, software and use cases for ORCA's photonic quantum computers. He has co-authored over 20 publications in machine learning and quantum computing and has a physics PhD from the University of Oxford. Before joining ORCA, he worked in roles spanning basic research to product engineering in leading AI deeptech startups.

Authors: William Clements (ORCA Computing), Hugo Wallner (ORCA Computing), Corneliu Buda (bp),
Omar Bacarreza (ORCA Computing), Peter Lemke (bp) and Claudia Perry (bp)
Wednesday February 26, 2025 1:10pm - 1:25pm CST
Auditorium

1:10pm CST

Optimizing the Delivery of High-Performance Workstations for Geophysical Workflows in Subsurface Exploration
Wednesday February 26, 2025 1:10pm - 1:35pm CST
Click here to view the recording
​​​
Optimizing the Delivery of High-Performance Workstations for Geophysical Workflows in Subsurface Exploration

Abstract: The energy industry is increasingly reliant on high-performance computing (HPC) and advanced digital tools to drive innovation in subsurface exploration and reservoir analysis. The design of IT environments typically involve a hybrid approach, combining on-premises infrastructure with cloud resources to meet the high demands of upstream workflows. Hybrid models can introduce several challenges, particularly in managing user access, coordinating virtual workstation environments, and ensuring the efficiency and performance of end-user experiences. Balancing workloads between on-premises and cloud platforms, while maintaining seamless access and optimal performance, requires careful orchestration to avoid bottlenecks and ensure that computational resources are effectively utilized. This session will highlight a case study of how Chevron revolutionized their IT infrastructure to optimize the delivery of high-performance workstations used for geophysical analysis. Chevron was able to replace outdated systems, streamline workflows, and unlock significant improvements in computational performance and end-user experience. Their modern hybrid environment spans both on-premise and cloud resources, dynamically provisioning and controlling virtual workstations in the cloud for efficient compute usage without compromising performance. With their new solution, Chevron achieved a more efficient use of cloud resources, reducing operational costs by automating power management, provisioning, and virtual workstation allocation. This ensured that only the necessary computing power was deployed at any given time, enabling substantial cost savings while still maintaining the high performance required for demanding geophysical simulations and reservoir modeling. As a result, Chevron’s geophysicists were able to work faster, solve more complex problems, and increase their overall productivity. Key takeaways include: 1) the simplification of end-user experience; 2) the optimization of system management; 3) the adoption of modular, scalable solutions to ensure flexibility and adaptability, reducing the risk of disruption when technologies reach end of life.

Speakers: 
- Stephen Rigler - Senior HPC Cloud Engineer, Chevron
- Blake Ray - HPC Cloud Engineer, Chevron
- Karen Gondoly, MS - CEO, Leostream

Bios:
Karen Gondoly is CEO and VP of Product Management of Leostream Corporation. She has worked closely with IT decision makers across all major industries to help transform complicated deployments into highly scalable, performant, and automated hosted workstation environments.

Authors: Stephen Rigler (Chevron Corporation), Blake Ray (Chevron Corporation) and Karen Gondoly (Leostream Corporation)
Wednesday February 26, 2025 1:10pm - 1:35pm CST
2nd Floor Room 280

1:35pm CST

Panel | HPC Directions in Energy: The Path Forward
Wednesday February 26, 2025 1:35pm - 1:50pm CST
  • Moderator: 
    • Addison Snell, Intersect360 Research
  • Speakers:
    • Bill Brouwer, SLB
    • Donny Cooper, TotalEnergies
    • Raj Gautam, ExxonMobil
    • Elizabeth L'Heureux, bp
Wednesday February 26, 2025 1:35pm - 1:50pm CST
Auditorium

1:35pm CST

Immersed Boundary Abstractions for Constructing Land Seismic Imaging Frameworks
Wednesday February 26, 2025 1:35pm - 2:00pm CST
Click here to view the slides.
Click here to view the recording​​.

Abstract: Accurately capturing topographic effects in wave-equation based seismic imaging algorithms such as RTM and FWI enhances their kinematic accuracy in land settings, improving imaging quality1. By representing free surface topography as an immersed boundary, complex geometries can be accurately captured whilst retaining use of cartesian, structured FD methods2. Eschewing curvilinear or unstructured grids, immersed boundaries are readily compatible with existing propagators and overarching imaging frameworks. However, devising a suitable boundary treatment and implementing the associated routines in the underlying kernel represents a substantial effort, whilst introducing additional complexity and potential technical debt.

To date, immersed boundary implementations, particularly in seismic contexts, have focussed on specific equations and boundary conditions. This specificity hinders extension to new equations, particularly when application-specific approximations are used. Furthermore, because these implementations rely on low-level interventions within the kernel itself, the cost of implementing such treatments rapidly becomes a barrier to practical deployment.

Constructing a framework which leverages symbolic computation to generate suitable immersed boundary treatments from a high-level specification of boundary geometry and conditions introduces a layer of abstraction between the user and underlying numerics. By avoiding major modifications to the underlying numerical methods and encapsulating the boundary treatment within a powerful abstraction, topography can be treated as a module of the propagator framework, avoiding the need for fundamental or extensive reworking to include topography. This facilitates topography implementation in overarching imaging and inversion workflows, whilst enabling code reuse across applications. Integration with Devito3, a DSL and compiler for stencil computations further reduces barriers to entry.

Using this framework, FWI workflows can be straightforwardly implemented, and we have successfully constructed tomographic gradients in settings featuring over a kilometre of irregular topographic variation. Furthermore, it was found that a topographic free surface results in improved illumination balance over that observed in a comparable flat-surface case or where topography is implemented as a damping surface.

By managing complexity through abstraction layers, whilst enabling generalisation of immersed boundary treatments across a wide range of physics, the approach developed represents a powerful means of handling the emerging challenge of topography in land seismic imaging.

Speaker: Edward Caunt, PhD - Research Scientist, Devito Codes

Bio: Dr Edward Caunt is a Research Scientist at Devito Codes, developing novel abstractions for finite-difference methods with a focus on seismic modelling and imaging applications. His PhD thesis explored the development of a generalised mathematical approach to immersed boundary implementation, enabling the automatic generation of numerical treatments for complex topography across a wide range of seismic applications. Applications of this work have been published in Geophysics, alongside presentations at numerous academic and industry conferences. His ongoing research and development work focuses on domain-specific languages (DSLs) and code generation for high-performance, high-productivity geophysical model development.

Authors: Edward Caunt( Devito Codes), Rhodri Nelson (Imperial College London), Fabio Luporini (Devito Codes), Mathias Louboutin (Devito Codes), Gerard Gorman (Imperial College London)
Wednesday February 26, 2025 1:35pm - 2:00pm CST
2nd Floor Room 280

2:00pm CST

Afternoon Break
Wednesday February 26, 2025 2:00pm - 2:40pm CST
Wednesday February 26, 2025 2:00pm - 2:40pm CST
Exhibit Hall

2:40pm CST

Lightning Talks by Graduate Students
Wednesday February 26, 2025 2:40pm - 3:15pm CST
Speaker: Cristel Carolina Brindis Flores - PhD Student, Department of Chemical and Biomolecular Engineering, Rice University
Click here to view the slides.
Click here to view the recording.

Poster: Carbon-Neutral Recovery of Natural Gas from Shale: Sequestering CO2 While Enhancing Gas Production
Authors: Cristel Carolina Brindis Flores (Rice University), Walter Chapman (Rice University) and Philip Singer (Rice University)

Speaker: Chen Chen - PhD Student, Department of Civil and Environmental Engineering, Rice University
Click here to view the recording.
Poster: Optimizing US Industrial Heat and Power Systems with Geothermal Deployment in 2030
Authors: Chen Chen (Rice University) and Daniel Cohan (Rice University)

Speaker: Dragana Grbic - PhD Student, Department of Computer Science, Rice University
Click here to view the slides.
Click here to view the recording.
Poster: Measuring and Analyzing Application Performance At Exascale
Authors: Dragana Grbic (Rice University) and John Mellor-Crummey (Rice University)

Speaker: Max Hawkins - PhD Student, Department of Computational Science and Engineering, Georgia Institute of Technology
Click here to view the slides.
Click here to view the recording.
Poster: Runtime and Energy Analysis of SpMV Hardware Execution Choice
Authors: Max Hawkins (Georgia Institute of Technology), Christian Engman (Georgia Institute of Technology) and Ivan Rocha (Georgia Institute of Technology)

Speaker: Kashif Liaqat - PhD Student, Department of Mechanical Engineering, Rice University
Click here to view the recording.
Poster: Enhancing Data Center Energy Efficiency with a Solar Thermal Boosted Waste Heat Recovery System
Authors: Kashif Liaqat (Rice University) and Laura Schaefer (Rice University)

Speaker: Jason Ludmir - PhD Student, Department of Computer Science, Rice University
Click here to view the slides.
Click here to view the recording.
Poster: Unsupervised Quantum Anomaly Detection: Quantum Computing for Detecting Critical Anomalous Events
Authors: Jason Ludmir (Rice University) and Tirthak Patel (Rice University)


Wednesday February 26, 2025 2:40pm - 3:15pm CST
Auditorium

3:15pm CST

Fireside Chat with Dan Reed: Thoughts on the Past, Present, and Future of HPC
Wednesday February 26, 2025 3:15pm - 3:50pm CST
Moderators
avatar for Melyssa Fratkin, MBA

Melyssa Fratkin, MBA

Industrial Programs Director, Texas Advanced Computing Center (TACC)
Speakers
avatar for Daniel “Dan” Reed, PhD

Daniel “Dan” Reed, PhD

Presidential Professor (Emeritus), University of Utah
Daniel A. Reed is the Presidential Professor in Computational Science (emeritus) at the University of Utah, where he previously served as Senior Vice President for Academic Affairs (Provost). He has served in a variety of senior academic and industry roles, including as Vice President... Read More →
Wednesday February 26, 2025 3:15pm - 3:50pm CST
Auditorium

3:50pm CST

Closing Remarks
Wednesday February 26, 2025 3:50pm - 3:55pm CST
Speakers
avatar for Keith Gray

Keith Gray

VP for Computational Science and Engineering, TotalEnergies
Keith Gray is the VP for Research Computing at TotalEnergies. Prior to joining TotalEnergies, Keith was an HPC Advisor at Intel and the Director of HPC and Technical Computing at bp, leading the High Performance Computing team for 22 years. The team grew computing power by over 200,000... Read More →
avatar for David Pynadath, PhD

David Pynadath, PhD

Executive Director of the Ken Kennedy Institute, Rice University
Wednesday February 26, 2025 3:50pm - 3:55pm CST
Auditorium

3:50pm CST

Poster Presentation Reception
Wednesday February 26, 2025 3:50pm - 5:15pm CST
Accelerating Downhole Distributed Acoustic Sensing Data Processing for Borehole Seismic Monitoring
Rosie Zhu (Rice University) and Jonathan Ajo-Franklin (Rice University)
 
Carbon-Neutral Recovery of Natural Gas from Shale: Sequestering CO2 While Enhancing Gas Production
Cristel Carolina Brindis Flores (Rice University), Walter Chapman (Rice University) and Philip Singer (Rice University)

Confidence and Degeneracy in Parameter Estimation of Biophysical Neuron Models
Anwar Khaddaj (Rice University), Saina Namazifard (Baylor College of Medicine), Matthias Heinkenschloss (Rice University) and Fabrizio Gabbiani (Baylor College of Medicine)

Efficient Monte Carlo Methods for Estimating System-Level Reliability of Power Grids
Ziran Wang (Rice University) and Leonardo Dueñas-Osorio (Rice University)

Energy HPC Orchestrator: A Cloud Native HPC Workflows Management Application
Kun Jiao (AWS), Cyril Lagrange (AWS), Dan Kahn (AWS), Shel Hussein (AWS), Max Liu (Shell) and Marwan Wirianto (Shell)
 
Enhancing Data Center Energy Efficiency with a Solar Thermal Boosted Waste Heat Recovery System
Kashif Liaqat (Rice University) and Laura Schaefer (Rice University)
 
Integration of Machine Learning, Geospatial Analysis, and Life Cycle Assessment to Determine the Well Pad-Specific Carbon Footprints of Natural Gas Extraction
Amir Sharafi (University of Nevada, Las Vegas) and Marie-Odile Fortier (University of Nevada, Las Vegas)

Learning to Route with Confidence Tokens
Yu Neng Chuang (Rice Univerisity), Guanchu Wang (Rice Univerisity) and Xia Hu (Rice Univerisity)

Leveraging HPC and Advanced Hydrological Modeling for Accurate Flood Forecasting
Girishchandra Yendargaye (C-DAC), Murugesh Prabhu (C-DAC), Upasana Dutta (C-DAC) and Yogesh Kumar Singh (C-DAC)
 
Measuring and Analyzing Application Performance At Exascale
Dragana Grbic (Rice University) and John Mellor-Crummey (Rice University)

One Rank at a Time: Cascading Error Dynamics in Sequential Learning
Mahtab Alizadeh Vandchali (Rice University), Fangshuo Liao (Rice University), Nikhil Chigali (Rice University) and Anastasios Kyrillidis (Rice University)
 
Optimizing US Industrial Heat and Power Systems with Geothermal Deployment in 2030
Chen Chen (Rice University) and Daniel Cohan (Rice University)

Pluvial Flood Emulation with Hydraulics-Informed Message Passing
Arnold Kazadi (Rice University), James Doss-Gollin (Rice University) and Arlei Silva (Rice University)

Repulsive Latent Score Distillation for Solving Inverse Problems
Nicolas Zilberstein (Rice University)

Reverse Time Migration on the STX Accelerator
Ryuichi Sai (Rice University), John Mellor-Crummey (Rice University), Timo Schlachter (Fraunhofer ITWM), Jens Krüger (Fraunhofer ITWM) and Mauricio Araya-Polo (TotalEnergies EP Research & Technology US)

Runtime and Energy Analysis of SpMV Hardware Execution Choice
Max Hawkins (Georgia Institute of Technology), Christian Engman (Georgia Institute of Technology) and Ivan Rocha (Georgia Institute of Technology)

Sensitivity-Driven Surrogate Model Refinement for Trajectory Optimization with Expensive Black-Box Functions
Jonathan Cangelosi (Rice University) and Matthias Heinkenschloss (Rice University)

Sweeping Heterogeneity with Smart MoPs: Mixture of Prompts for LLM Task Adaptation
Anastasios Kyrillidis (Rice University)

The Accessibility and Inaccessibility of Urban Public Charging Station
Hossein Gazmeh (Rice University), Xinwu Qian (Rice University), Mario Small (Columbia University), Qi Wang (Northeastern University) and Yuntao Guo (Tongji University)

Towards Flexible Demultiple with Deep Learning
Mario Ruben Fernandez (Fraunhofer ITWM), Norman Ettrich (Fraunhofer ITWM), Matthias Delescluse (École Normale Supérieure) and Janis Keuper (Offenburg University)

Unbalanced Research Effort: A Comparative Analysis of Energy Research Articles in Commercial and Residential Buildings
Sumeyra Danisman (Stony Brook University) and Elizabeth Hewitt (Stony Brook University)

Unsupervised Quantum Anomaly Detection: Quantum Computing for Detecting Critical Anomalous Events
Jason Ludmir (Rice University) and Tirthak Patel (Rice University)
Wednesday February 26, 2025 3:50pm - 5:15pm CST
Exhibit Hall
 
Thursday, February 27
 

8:00am CST

Best Practices in HPC Systems Management
Thursday February 27, 2025 8:00am - 4:00pm CST
Speakers: Practitioners and Experts from Industry, Academia, and National Labs

Organizer: Keith Gray (TotalEnergies)

Schedule:
  • 8:00 - 8:30 am: Check-in + Breakfast 
  • 8:30 - 8:35 am: Welcome + Introductions 
    • Keith Gray, TotalEnergies
  • 8:35 - 9:35 am: TACC Updat Click here to view the recording.
    • Tommy Minyard, TACC
  • 9:35 - 10:40 am: Facilities Trends and Best Practices  Click here to view the recording
    • Tommy Minyard, TACC
    • Kent Blancett, bp
    • Jeremy Singer, ExxonMobil
    • Bill Guyton, Shell
    • Donny Cooper, TotalEnergies
    • Wade Vinson, NVIDIA (Host)
  • 10:40 - 11:00 am: Break 
  • 11:00 - 12:00 am: Systems Management  Click here to view the recording
    • Ashwini Rathnakara, Shell - Experiences with Singularity, Enroot, and Podman
    • Russell Jones, TotalEnergies - Migrating from xCAT to Warewulf
    • Jonathon Anderson, CIQ - Surveying the state of CentOS migration
  • 12:00 - 1:00 pm: Lunch 
  • 1:00 - 2:00 pm: RoCE in the Blue corner!
    • Shawn Hall, Jump Trading
    • Donny Cooper, TotalEnergies
  • 2:00 - 2:20 pm: Memory Technologies Update Click here to view the recording
    • Eric L Pope, HPE 
    • PJ Waskiewicz, Jump Trading 
  • 2:20 - 3:00 pm: Towards an Architecture for Cloud-Native HPC  Click here to view the recording
    • Alex Loddoch, Chevron
    • Alex Morris, Microsoft
  • 3:00 - 3:15 am: Break 
  • 3:15 - 4:00 pm: Queueing System Migration Experiences Click here to view the recording
    • Kent Blancett, bp
    • Tim Osborne, ORNL
  • 4:00 pm: Close


Thursday February 27, 2025 8:00am - 4:00pm CST
2nd Floor Room 280

8:15am CST

Devito User and Developer Workshop
Thursday February 27, 2025 8:15am - 4:00pm CST
4th Annual Devito User and Developer Workshop
10th Floor, Room 1003 | 8:15am - 4:00 pm; Reception at 5:00pm (organized by workshop speakers)
Limited Seating (50 registrants)

Devito provides a powerful set of abstractions for finite-difference models in applications across the energy and medical industry, combining productivity, portability, and performance through symbolic computation and a flexible code-generation framework. DevitoPRO, an advanced extension of the open-source Devito platform, brings further features to cater specifically to high-performance computing (HPC) needs, especially in seismic imaging and inversion.

This workshop features presentations from industry and academia, highlighting experiences and applications of Devito/DevitoPRO in research and production. It includes an overview of ongoing research at Devito Codes and a panel with cloud service providers and hardware vendors discussing emerging trends, opportunities, and challenges in high-performance computing and seismic imaging applications. The workshop will maintain an inclusive atmosphere and will include ample time for discussion.

Materials: Laptop is not required. There will be power, but please charge in advance as some outlets may need to be shared.

Organizers:
  • Paul Holzhauer (Devito Codes)
  • Gerard Gorman (Devito Codes)
  • Fabio Luporini (Devito Codes)

Schedule
  • 8:15-8:45 am: Check-in + Breakfast
  • 8:45 am: Welcome + Introductions
  • 09:00-10:15 am:Invited talks
    • Cloud Native Polychromatic Multiparameter FWI backed by Devito — John Washbourne, et. al (Chevron)
    • Enabling Rapid Interdisciplinary R&D with Devito — Jeremy Tillay (BP)
    • Seismic imaging algorithms development and implementation with Devito — Cosmin Macesanu and Yongzhong Wang (TGS), Hao Hu (University of Oklahoma, formerly TGS)
  • 10:15-10:45 am: Break
  • 10:45-11:35 am: Invited talks
    • Uncertainty-aware machine-learning enabled velocity-model building with Devito — Felix Herrmann (Georgia Tech)
    • Leveraging Devito to image foothills seismic data — Tim MacArthur, Greg Cameron, and Rob Vestrum (Thrust Belt Imaging)
  • 11:35-11:50 am: Q&A
  • 11:50 am-1:00 pm: Lunch
  • 1:00-1:50 pm:Invited talks
    • Spatial Hyperparameter Optimisation for Full Waveform Inversion Algorithms — Peter Barnhill (Seimax), Christos Mavropoulos,  Ayush Modi, and Adam Kovacs (S-Cube), Mathias Louboutin and Ed Caunt (Devito Codes)
    • Galactic Seismic Imaging Study Phase 2: wave-equation-based model building and imaging in shallow water with XWI, Julia, and Devito — Henry Debens, Rob Eliott-Lockhart, and Jenny Moss (Woodside), Mathias Louboutin, Ed Caunt, and Gerard Gorman (Devito Codes), Christos Mavropoulos, Adam Kovacs, Sourajit Debnath, and Tenice Nangoo (S-Cube)
  • 1:50-2:45 pm: Talks from Devito Codes
    • 2024 Recap – Elastic solvers, mixed precision, PETSc, new features, and performance review
    • 2025 and Beyond – Roadmap
  • 2:45-3:15 pm: Break
  • 3:15-3:45 pm: Annual GSD Panel discussion
    • Chair: Elizabeth L'Heureux (BP)
    • Panelists: Joe Greenseid (Microsoft), Gerard Gorman (Devito Codes), Dmitriy Tishechkin (AWS), Marc Spieler (NVIDIA), Keith Ritchie (AMD), and Guoquan Chen (Intel)
  • 3:45-4:00 pm: Closing remarks
  • 5:00 pm: Reception jointly organized by NVIDIA and Devito Codes

Thursday February 27, 2025 8:15am - 4:00pm CST
10th Floor Room 1003

8:30am CST

Scientific Machine Learning
Thursday February 27, 2025 8:30am - 3:00pm CST
Organizers:
  • Beatrice Riviere (Rice University)
  • Matthias Heinkenschloss (Rice University)

Schedule
8:30 - 9:00 am: Check-in + Breakfast
9:00 - 10:00 am: Charbel Farhat (Stanford)
10:00 - 11:00 am: Jonas Actor (Sandia National Lab)
11:00 - 11:20 am: Adrian Celaya (Rice University)
11:20 - 11:40 am: Jonathan Cangelosi (Rice University)
11:40 am - 1:00 pm: Lunch
1:00 - 2:00 pm: Elizabeth Qian (Georgia Tech)
2:00 - 3:00 pm: Benjamin Peherstorfer (NYU)

Speaker: Charbel Farhat (Stanford)
Session: Mechanics-Informed Machine Learning for the Discovery of Constitutive Models

Speaker: Jonas Actor (Sandia National Lab)
Session: Leveraging Approximation Theory for Efficient Scientific Machine Learning

Speaker: Adrian Celaya (Rice University)
Session: Learning Finite Difference and Discontinuous Galerkin Solutions to Elliptic Problems via Numerics-Informed Neural Networks

Speaker: Jonathan Cangelosi (Rice University)
Session: Sensitivity-Driven Surrogate Modeling For Trajectory Optimization

Speaker: Elizabeth Qian (Georgia Tech)
Session: Multifidelity Linear Regression for Scientific Machine Learning from Scarce Data

Speaker: Benjamin Peherstorfer (NYU)
Session: Leveraging Nonlinear Latent Dynamics for Numerically Forecasting High-Dimensional Systems
Thursday February 27, 2025 8:30am - 3:00pm CST
Auditorium

8:30am CST

Performance Evaluation of GPU Accelerated HPC and AI Applications Using HPCToolkit, TAU, and ParaTools Pro for E4S(TM)
Thursday February 27, 2025 8:30am - 3:15pm CST
1st Floor, Room 106 | 8:30 am - 3:15 pm​​​
Limited Seating (20 registrants)

Course Skill Level: 25% basic content, 25% intermediate content, and 50% advanced content

Speakers:
  • John Mellor-Crummey, Professor of Computer Science and of Electrical and Computer Engineering, Rice University
  • Sameer Shende, Research Professor and Director of the Performance Research Laboratory, University of Oregon

Schedule:
  • 8:30 - 9:00 am: Check-in + Breakfast
  • 9:00 - 9:30 am: Setup ParaTools Pro for E4S on Cloud Platforms
  • 9:30 - 11:30 am: HPCToolkit
  • 11:30 am - 12:30pm: Lunch
  • 12:30 - 2:30 pm: TAU
  • 2:30 - 2:45 pm: Break
  • 2:45 - 3:15 pm ParaTools Pro for E4S and Conclusion

Materials: Attendees will need to bring their laptop to access materials during the workshop. There will be power, but please charge in advance as some outlets may need to be shared.

Abstract:
The hand-on workshop will present two performance evaluation tools; HPCToolkit and TAU to evaluate and optimize the performance of GPU accelerated HPC and AI applications.

HPCToolkit (https://hpctoolkit.org) is an integrated suite of tools for profiling and tracing of parallel programs on computers ranging from multicore desktop systems to GPU-accelerated supercomputers and cloud platforms. HPCToolkit can measure and analyze executions of fully optimized, dynamically linked parallel applications on tens of thousands of CPU cores and GPUs. It supports multi-lingual codes with external binary-only libraries. It collects sampling based measurements of CPU codes with a controllable overhead. It measures GPU performance using vendor APIs to collect fine-grained measurements using PC sampling or instrumentation and monitors asynchronous GPU operations using activity APIs. HPCToolkit can attribute performance measurements to rich dynamic calling contexts containing procedures, inlined functions, loop nests, and source lines on both CPUs and GPUs.

The TAU Performance System [http://tau.uoregon.edu] is a versatile performance evaluation toolkit supporting both profiling and tracing modes of measurement. It supports performance evaluation of applications running on CPUs and GPUs and supports runtime-preloading of a Dynamic Shared Object (DSO) that allows users to measure the performance without modifying the source code or binary. This tutorial will describe how TAU may be used with MVAPICH and support advanced performance introspection capabilities at the runtime layer. TAU's support for tracking the idle time spent in implicit barriers within collective operations will be demonstrated. TAU also supports event-based sampling at the function, file, and statement level. TAU's support for runtime systems such as CUDA (for NVIDIA GPUs),Level Zero (for Intel oneAPI DPC++/SYCL), ROCm (for AMD GPUs), OpenMP with support for OMPT and Target Offload directives, Kokkos, and MPI allow instrumentation at the runtime system layer while using sampling to evaluate statement-level performance data.

HPCToolkit and TAU will be demonstrated on AWS using the ParaTools Pro for E4S(TM) image. The Extreme-scale Scientific Software Stack (E4S) [https://e4s.io] is a curated, Spack based software distribution of 100+ HPC and AI/ML packages. The Spack package manager is a core component of E4S and it is a platform for product integration and deployment of performance evaluation tools such as HPCToolkit, TAU, DyninstAPI, PAPI, etc. and supports both bare-metal and containerized deployment for CPU and GPU platforms. E4S provides a Spack binary cache and a set of base and full-featured container images with vendor runtimes to support GPU architectures from NVIDIA, Intel, and AMD. E4S is a community effort to provide open-source software packages for developing, deploying, and running scientific applications and tools on HPC platforms.
Speakers
avatar for John Mellor-Crummey, PhD

John Mellor-Crummey, PhD

Professor of Computer Science and of Electrical and Computer Engineering, Rice University
John Mellor-Crummey is a Professor of Computer Science at Rice University in Houston, TX. His research focuses on software technology for high-performance parallel computing. His current research focus is tools for measurement and analysis of application performance. He leads the... Read More →
avatar for Sameer Shende, PhD

Sameer Shende, PhD

Research Professor and Director of the Performance Research Laboratory, University of Oregon
Sameer Shende serves as a Research Associate Professor and the Director of the Performance Research Laboratory at the University of Oregon and the President and Director of ParaTools, Inc. (USA) and ParaTools, SAS (France). He serves as the lead developer of the Extreme-scale Scientific... Read More →
Thursday February 27, 2025 8:30am - 3:15pm CST
1st Floor Room 106

8:30am CST

Building an Optimized Elastic Finite-difference Propagator from Scratch for FWI on NVIDIA's Latest GPUs
Thursday February 27, 2025 8:30am - 5:00pm CST
Exhibit Hall | 8:30 am - 5:00 pm
Limited seating; 30 registrants - SOLD OUT

Speakers: Guillaume Barnier, Guillaume Thomas-Collignon, and Igor Terentyev (NVIDIA)

Schedule:
  • 8:30 - 9:00 am: Check-in + Breakfast
  • 9:00 - 10:00 am: Introduction, Theory Review (PDE + Numerical Scheme)
  • 10:00 - 11:30 am: Initial Implementation + Profiler Report Introduction and Analysis
  • 11:30 - 12:30 pm: Lunch
  • 12:30 - 1:30 pm: Optimization #1 Using Shared Memory
  • 1:30 - 2:30 pm: Optimization #2 Using Asynchronous Shared Memory Loads
  • 2:30 - 3:30 pm: Optimization #3 Using TMA
  • 3:30 - 4:00 pm: Break
  • 4:00 - 5:00 pm: Theory Review on Adjoint System of Equations for FWI, Numerical Implementation, and Differences with Forward
Materials: It is highly recommended for attendees to bring their own laptop, but the speakers will still try to make the workshop understandable and adapted for people that do not have a computer. There will be power, but please charge in advance as some outlets may need to be shared.

Abstract: Elastic full waveform inversion (FWI) is becoming the industry's standard for subsurface model parameter estimation. However, this technique requires to simulate hundreds of thousands of wave propagations by numerically solving a system of partial differential equations (PDE). Consequently, implementing an efficient numerical scheme on GPUs is critical.

In this workshop, we propose to teach the attendees how to gradually build finite-difference (FD) propagators for elastic media (ISO and VTI) optimized for Nvidia's latest GPUs (Ampere, Hopper, and Blackwell).

We provide a brief theoretical review, and we describe the numerical scheme we implement, which is based on a staggered-grid approach for both time and space. We then gradually implement multiple versions of the forward propagator, starting from a baseline implementation that requires minimum GPU hardware knowledge, to our fastest version using asynchronous load to shared memory. At each step, we use our profiling tool - Nsight Compute (NCU) - to identify bottlenecks in our kernels and we show how to leverage Nvidia's new hardware features to mitigate these bottlenecks. Finally, we show how to derive and efficiently implement the adjoint propagator required for the elastic FWI gradient computation.
Thursday February 27, 2025 8:30am - 5:00pm CST
Exhibit Hall
 
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