July 2021 - Affiliates - mailman3.cels.anl.gov

CPS Division Meeting - Speaker: Nesar Ramachandra
by CPS Division Office 26 Jul '21

26 Jul '21

Join us for the CPS Division Meeting today at 2:00PM CT Speaker: Nesar Ramachandra Title: Scientific Machine Learning for Astrophysical Studies Abstract: Significant amount of machine learning (ML) applications on scientific data have hinted at the remarkable versatility of artificial intelligence (AI) in the era of exa-scale computation and data-driven modeling. However, unique challenges in Cosmology require a transition from heuristic applications of ML frameworks to domain-aware AI systems. A subset of these crucial issues will be discussed in this talk, with an emphasis on the adaptation of numerical simulations, explainability of AI models, uncertainty quantification, and scalability with state-of-the-art computational architectures. Bayesian inference of cosmological parameters using surrogate modeling, redshift estimation of galaxies, strong lensing studies and other key topics at the intersection of computation cosmology and scientific machine learning will be explored. Schedule<https://events.cels.anl.gov/category/9/> The CPS Division is inviting you to a scheduled ZoomGov meeting. Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m

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CPS Division Meeting - Speaker: Nesar Ramachandra
by CPS Division Office 26 Jul '21

26 Jul '21

Speaker: Nesar Ramachandra Title: Scientific Machine Learning for Astrophysical Studies Abstract: Significant amount of machine learning (ML) applications on scientific data have hinted at the remarkable versatility of artificial intelligence (AI) in the era of exa-scale computation and data-driven modeling. However, unique challenges in Cosmology require a transition from heuristic applications of ML frameworks to domain-aware AI systems. A subset of these crucial issues will be discussed in this talk, with an emphasis on the adaptation of numerical simulations, explainability of AI models, uncertainty quantification, and scalability with state-of-the-art computational architectures. Bayesian inference of cosmological parameters using surrogate modeling, redshift estimation of galaxies, strong lensing studies and other key topics at the intersection of computation cosmology and scientific machine learning will be explored. Schedule<https://events.cels.anl.gov/category/9/> The CPS Division is inviting you to a scheduled ZoomGov meeting. Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m

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Welcome new staff members --
by Habib, Salman 23 Jul '21

23 Jul '21

Hi Everyone, Please welcome Patrick Shriwise and Esteban (Steve) Rangel as new junior (RD2) staff members in CPS! Patrick obtained his PhD in nuclear engineering from Wisconsin and, until recently, was a CPS postdoc working with Paul Romano. Patrick has a deep interest in high performance scientific computing, multi-physics applications, and open source software engineering. He has experience with several methods for nuclear radiation transport with a specialty in application of these methods for CAD-based geometries. Steve's PhD is in computer science from Northwestern and he was an ALCF postdoc reporting to Adrian Pope (today is his first day in CPS). His research is focused on the development of performant and scalable applications for high-performance computing systems. Steve's interests are in the use of modern and emerging HPC programming models and architectures to best advance scientific frontiers. Salman

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Reminder: Seminar Announcement: Modeling and Optimization of Plasma Material Interactions for Nuclear Energy and Photon Source Industrial Applications
by Novak, Linda 21 Jul '21

21 Jul '21

Reminder CPS Seminar Presentation via BlueJeans Videoconferencing Seminar Title: Modeling and Optimization of Plasma Material Interactions for Nuclear Energy and Photon Source Industrial Applications Speaker: Tatyana Sizyuk, Associate Director of CMUXE and Assistant Professor Affiliation: Purdue University, West Lafayette, IN Date: Wednesday, July 21, 2021 Time: 10:00 am – 11:00 am Host: Tim Williams Abstract: Various computational methods integrated in multi-physics multi-dimensional packages were developed for the analysis and optimization of systems and devices in current vital applications. These packages are well-benchmarked with in-house and world-wide experiments. Results will be presented including, among others, plasma-material interactions in nuclear fusion reactors, development and optimization of photon sources for advanced nanolithography of future computer chips, and Water Window (WW) microscopy for biomedical applications. By integrating multi-physics with various numerical methods, e.g., Monte Carlo models for particle/matter interactions and photon transport with advanced deterministic methods for hydrodynamics and heat conduction in plasma, heat and particle diffusion, atomic segregation and desorption in plasma facing materials, we explained numerous recent experimental data and made predictions later confirmed in subsequent experiments. Simulated systems include laser- and discharge-produced plasmas for photon sources, electron and ion beam guns, and fusion devices, e.g., NSTX (Princeton), DIII-D (General Atomics), and ITER reactors. Challenges and development of multi-dimensional multi-physics packages and their optimizations for parallel calculations will also be discussed. Please use this link to attend the virtual seminar. https://bluejeans.com/192301892/9165 Meeting ID: 192 301 892// Participant Code: 9165

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CPS Division Meeting - Speaker: Nesar Ramachandra
by CPS Division Office 20 Jul '21

20 Jul '21

Speaker: Nesar Ramachandra Title: Scientific Machine Learning for Astrophysical Studies Abstract: Significant amount of machine learning (ML) applications on scientific data have hinted at the remarkable versatility of artificial intelligence (AI) in the era of exa-scale computation and data-driven modeling. However, unique challenges in Cosmology require a transition from heuristic applications of ML frameworks to domain-aware AI systems. A subset of these crucial issues will be discussed in this talk, with an emphasis on the adaptation of numerical simulations, explainability of AI models, uncertainty quantification, and scalability with state-of-the-art computational architectures. Bayesian inference of cosmological parameters using surrogate modeling, redshift estimation of galaxies, strong lensing studies and other key topics at the intersection of computation cosmology and scientific machine learning will be explored. Schedule<https://events.cels.anl.gov/category/9/> The CPS Division is inviting you to a scheduled ZoomGov meeting. Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m

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CPS Division Meeting - Speaker: Nesar Ramachandra
by CPS Division Office 20 Jul '21

20 Jul '21

Speaker: Nesar Ramachandra Title: Scientific Machine Learning for Astrophysical Studies Abstract: Significant amount of machine learning (ML) applications on scientific data have hinted at the remarkable versatility of artificial intelligence (AI) in the era of exa-scale computation and data-driven modeling. However, unique challenges in Cosmology require a transition from heuristic applications of ML frameworks to domain-aware AI systems. A subset of these crucial issues will be discussed in this talk, with an emphasis on the adaptation of numerical simulations, explainability of AI models, uncertainty quantification, and scalability with state-of-the-art computational architectures. Bayesian inference of cosmological parameters using surrogate modeling, redshift estimation of galaxies, strong lensing studies and other key topics at the intersection of computation cosmology and scientific machine learning will be explored. Schedule<https://events.cels.anl.gov/category/9/> The CPS Division is inviting you to a scheduled ZoomGov meeting. Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m

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Seminar Announcement: Modeling and Optimization of Plasma Material Interactions for Nuclear Energy and Photon Source Industrial Applications
by Novak, Linda 19 Jul '21

19 Jul '21

CPS Seminar Presentation via BlueJeans Videoconferencing Seminar Title: Modeling and Optimization of Plasma Material Interactions for Nuclear Energy and Photon Source Industrial Applications Speaker: Tatyana Sizyuk, Associate Director of CMUXE and Assistant Professor Affiliation: Purdue University, West Lafayette, IN Date: Wednesday, July 21, 2021 Time: 10:00 am – 11:00 am Host: Tim Williams Abstract: Various computational methods integrated in multi-physics multi-dimensional packages were developed for the analysis and optimization of systems and devices in current vital applications. These packages are well-benchmarked with in-house and world-wide experiments. Results will be presented including, among others, plasma-material interactions in nuclear fusion reactors, development and optimization of photon sources for advanced nanolithography of future computer chips, and Water Window (WW) microscopy for biomedical applications. By integrating multi-physics with various numerical methods, e.g., Monte Carlo models for particle/matter interactions and photon transport with advanced deterministic methods for hydrodynamics and heat conduction in plasma, heat and particle diffusion, atomic segregation and desorption in plasma facing materials, we explained numerous recent experimental data and made predictions later confirmed in subsequent experiments. Simulated systems include laser- and discharge-produced plasmas for photon sources, electron and ion beam guns, and fusion devices, e.g., NSTX (Princeton), DIII-D (General Atomics), and ITER reactors. Challenges and development of multi-dimensional multi-physics packages and their optimizations for parallel calculations will also be discussed. Please use this link to attend the virtual seminar. https://bluejeans.com/192301892/9165 Meeting ID: 192 301 892// Participant Code: 9165

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PA Announcement: CPS Division Seminar Now
by Tezak, Samantha L. 12 Jul '21

12 Jul '21

This presentation will begin momentarily Steve Rangel will present during the CPS Division Meeting today at 3:00 pm CT. Please join if your schedule allows. Speaker: Steve Rangel Title: Preparing for Exascale Cosmological Simulations on Aurora Abstract: Modern cosmological simulations provide a wealth of information that require sophisticated analysis techniques to extract scientific knowledge. In the first part of this talk, I will discuss parallel data analysis algorithms that can scale to the state-of-the-art cosmological simulations carried out by the Hardware/Hybrid Accelerated Cosmology Code (HACC). In the second part of the talk, I will discuss preparing HACC for Aurora — describing the effort to port and optimize solver kernels for the Intel Xe GPU architecture. Last, I will describe the work to implement a scalable-workload-model for HACC's distributed FFT, which will be used to simulate communication on Aurora's Slingshot network. https://events.cels.anl.gov/event/131/ View full CPS Division Seminar schedule here<https://events.cels.anl.gov/category/9/> ----------------- Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m *************************************** Samantha L Tezak Executive Assistant to Salman Habib Computational Science Division Argonne National Laboratory 9700 S. Cass Avenue Lemont, IL 60439 Tel: (630) 252-6250 E-mail: stezak(a)anl.gov<mailto:[email protected]> ****************************************

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Intel / ALCF Outreach Committee Monthly Newsletter - July 2021
by Ramprakash, Jini 12 Jul '21

12 Jul '21

Overview COE Highlights Training Highlights oneAPI Ecosystem Highlights Marketing Highlights Center of Excellence (COE) Highlights * Knowledge Sharing for Aurora Machine Learning (ML) workloads: Organized a series of periodically held meetings between stakeholders from ALCF, the Intel ML development teams, the Intel-COE, and the Intel performance tools team, to share performance characterizations of various ML workloads from the ESP Machine Learning program. Based on interest expressed by the participants, these meetings are now held on a weekly basis. A training module explaining the use of VTune for ML workloads is being developed for use at ATPESC 2021. Training * Self-Paced Training: Join the 1,100 developers who have experienced Data-Parallel C++ through the DPC++ Essentials Learning Path<https://software.intel.com/content/www/us/en/develop/tools/oneapi/training/…>, with hands-on Jupyter Notebooks and Intel® DevCloud. * Aurora Early Adopter Series: Performance, Portability, and Productivity by Rakshith Krishnappa, Intel, Ben Odom, Intel on June 31 https://www.alcf.anl.gov/events/performance-portability-and-productivity oneAPI Ecosystem * The 3rd oneAPI Dev Summit was delivered on June 22/23rd at ISC featuring 31 speakers from UNN, CERN, ANL, KTH, Stuttgart, UC London, UoBristol, Heidelberg, Codeplay, Leibniz Super Computing, Umass Lowell, KIT, UUIC, ORNL, Tangent Labs. All sessions recorded and posted here. <https://www.oneapi.com/events/devcon2021isc/> Attendees participated from Karlsruhe Institute of Technology, Hewlett Packard Enterprise, GP Technologies Inc, L&T Technology Services, University of Florida, University of Texas, GNU/Weeb, Zuse Institute Berlin, Los Alamos National Laboratory, Georgia tech, inesc id Lisboa, Indiana University, Trigyn Technologies, Xilinx, Virginia tech, Instituto Nazionale di Fisica Nucleare, AI-Vets, Wayne University, Ansys, Siemens Healthineers, Codeplay, University of Bristol, Leukemia Research Association, SINTEC, Disney, University of Texas at Austin, University of Tennessee, University of Heidelberg. * Community driven proof points: Univ of Tennessee/ Karlruhe Institute of Technology published “Porting a Sparse Linear Algebra Math Library to Intel GPUs” which was accepted in HETEROPAR’2021 and available in ARXIV<https://arxiv.org/pdf/2103.10116.pdf>, as well as new Dev Mesh Projects Arhat<https://devmesh.intel.com/projects/arhat> and A DPC++ Backend for the OCCA Portability Framework<https://devmesh.intel.com/projects/a-dpc-backend-for-the-occa-portability-f…>. A Detect Spoofing with Fast Facial Recognition<https://cqpreview.intel.com/content/www/us/en/develop/articles/detecting-sp…> was published by Alessandro de Oliveira Faria of Oiti Technologies. The open-source oneAPI based code integrates into existing banking and retail systems to detect facial biometrics. oneAPI success story - “Ensure Social Media Credibility Using Artificial Intelligence<https://software.intel.com/content/www/us/en/develop/articles/using-ai-to-e…>” published by Professor Durga Toshniwal and her students from IIT Roorkee where they evaluate the vulnerability of social media users who may be implicit soft targets to such misinformation. * Building Global Community: The Ministry of Education Teaching Learning Centre at Ramanujan College in India, in collaboration with Open Technology Forum organized an online two-week refresher course on next generation CS technologies which included oneAPI hands-on training sessions. Delivered India workshop<https://analyticsindiamag.com/intel-oneapi-workshop-ends-on-a-high-note/> on oneAPI AI Analytics Toolkit in collaboration with Analytics India Magazine with 254 developer attendees. Wuhan University of Technology delivered the first 2021 oneAPI on-campus workshop with 200 students participating in the hands-on lab session. XiDian University is pilot teaching DPC++ in their HPC class with students using the devcloud and Jupyter Notebook course module. After this pilot, learnings and enhanced lab materials will be built for fall 2021 class. * Published next 3 episodes in the CERNopenlab vodcast series on oneAPI : * Episode 3: interview with Bartlomiej Borzyszkowski<https://www.youtube.com/watch?v=MgkP7uqgqto&t=4s> focused on using oneAPI to detect anomalies in neural networks. * Episode 4: Bob Duffy interviewed Viola Cavallini and Laura Cappelli<https://www.youtube.com/watch?v=xqT-UmugQ1c> about using oneAPI to reduce cost and increase productivity. * Episode 5: Interview with Silke Donayre Holtz<https://www.youtube.com/watch?v=vb906zKMMfg> about her work using oneAPI at CERN openlab deploying generative models as well as comparing CPU’s & GPU’s to help increase system compatibility on the Large Hadron Collider. Marketing Highlights * Aurora software development: Packaging and early hardware: https://alcf.anl.gov/news/aurora-software-development-packaging-and-early-h… * Porting a computational chemistry code to exascale architectures: https://www.alcf.anl.gov/news/porting-computational-chemistry-code-exascale… * Porting ATLAS experiment codes to exascale architectures: https://www.alcf.anl.gov/news/porting-atlas-experiment-codes-exascale-archi… * Let’s Talk Exascale Code Development: WDMAPP—XGC, GENE, GEM: https://www.exascaleproject.org/lets-talk-exascale-code-development-wdmapp-… * HPC roundtable: Advances in computing and its impact on scientific research: https://www.scientific-computing.com/webcast/hpc-roundtable-advances-comput… * Argonne and Oak Ridge National Laboratories Award Codeplay Software to Further Strengthen SYCL Support Extending the Open Standard Software for AMD GPU: https://www.alcf.anl.gov/news/argonne-and-oak-ridge-national-laboratories-a… * Inspiring the Next Generation of Scientists & Coders: https://connectedsocialmedia.com/19527/inspiring-the-next-generation-of-sci… * Argonne scientists collaborate to create first full-core pin-resolved nuclear reactor model: https://www.alcf.anl.gov/news/argonne-scientists-collaborate-create-first-f… * ECP/ALCF Twitter Chat Live https://twitter.com/search?q=ExascaleChat&src=typeahead_click * Technology Innovations Already Make the Aurora Exascale Supercomputer a National Asset https://itpeernetwork.intel.com/technology-innovations-already-make-the-aur… -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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CORRECTION CPS Division Seminar Today
by Tezak, Samantha L. 12 Jul '21

12 Jul '21

CORRECTION: The time is 2:00 pm CT today Good morning, Steve Rangel will present during the CPS Division Meeting today at 2:00 pm CT. Please join if your schedule allows. Speaker: Steve Rangel Title: Preparing for Exascale Cosmological Simulations on Aurora Abstract: Modern cosmological simulations provide a wealth of information that require sophisticated analysis techniques to extract scientific knowledge. In the first part of this talk, I will discuss parallel data analysis algorithms that can scale to the state-of-the-art cosmological simulations carried out by the Hardware/Hybrid Accelerated Cosmology Code (HACC). In the second part of the talk, I will discuss preparing HACC for Aurora — describing the effort to port and optimize solver kernels for the Intel Xe GPU architecture. Last, I will describe the work to implement a scalable-workload-model for HACC's distributed FFT, which will be used to simulate communication on Aurora's Slingshot network. https://events.cels.anl.gov/event/131/ View full CPS Division Seminar schedule here<https://events.cels.anl.gov/category/9/> ----------------- Join ZoomGov Meeting https://argonne.zoomgov.com/j/1619902756?pwd=cEpWUU1DbUU1OGhKbmdObzZIdEMvZz… Meeting ID: 161 990 2756 Passcode: 007318 One tap mobile +16692545252,,1619902756# US (San Jose) +16468287666,,1619902756# US (New York) Dial by your location +1 669 254 5252 US (San Jose) +1 646 828 7666 US (New York) +1 551 285 1373 US +1 669 216 1590 US (San Jose) Meeting ID: 161 990 2756 Find your local number: https://argonne.zoomgov.com/u/acka13FO9m *************************************** Samantha L Tezak Executive Assistant to Salman Habib Computational Science Division Argonne National Laboratory 9700 S. Cass Avenue Lemont, IL 60439 Tel: (630) 252-6250 E-mail: stezak(a)anl.gov<mailto:[email protected]> ****************************************

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