- Affiliates - mailman3.cels.anl.gov

Re: CPS publications
by Vazquez Mayagoitia, Alvaro 18 Sep '20

18 Sep '20

Hi Salman I have some thoughts that may add to your list of possible explanations: -One difference between PANDA report and WoS is that the last is not taking papers that are under review or pre-prints. Yes, those papers may not be accepted yet, but I am sure that our rate of success is very high and the PANDA entries reflect what papers were made in a given FY. In some cases, some journals are super slow publishing. However, every PANDA entry has an attached draft which in principle passed some quality control. -In my POV, it is not fair how WoS is taking in account the total production of our division. Let us say 2 people in the division are in the same 2 papers, if we take individual PANDA reports we would get 4 papers, but WoS reports only 2. In my opinion, we should take the sum of individuals. We should define the metric. -WoS is taking calendar years, whereas PANDA reports are by FY. -In my case I suffer of systematic misses in the records because my first and last names have weird characters or too complicated for web 2.0, and it is not trivial to claim papers in WoS. The opposite is also true, I have coworkes with h-index 65 or more , when they just finished the phd 3 years ago. [similar argument in PANDA, there are 2 or 3 Alvaros] -WoS does not take in account DOE technical reports and similar production, right? Were we can find more about PEMP requirements, and why is this important? This is the first time I hear of that. What we traditionally do for the performance appraisal is to attach a PANDA FY report, is that perfect and reflects our work? maybe not... but this is what we have now 2 weeks before the FY ends. I agree, the situation is not only 'patently ridiculous', but also complicated for everyone (a ultra fast pandemia, canceled conferences, difficulty hiring new talent, less computing resources at ANL and therefore less projects, mixed information of Aurora deployment, etc) and I am almost sure that our publications had suffered an impact too. And it is not clear to me how far this impact will go. I wish we can take this basecamp document just to provide upper management to get a perspective of what we have done and have a metric for what our annual production is, and do not use this as a wall of shame for those with less papers this year. Needless to say, we should price quality over quantity. All the best, -Álvaro Vázquez-Mayagoitia, PhD Computational Scientist - R&D Chemistry and Materials Science Argonne National Laboratory https://web.alcf.anl.gov/~vama/ ________________________________ From: cps-employees <cps-employees-bounces(a)lists.anl.gov> on behalf of Habib, Salman <habib(a)anl.gov> Sent: Thursday, September 17, 2020 9:17 PM To: cps-all(a)anl.gov <cps-all(a)anl.gov> Subject: CPS publications Hi Everyone, I just got a listing of all the peer reviewed publications from CPS for the last fiscal year (as found in Web of Science), see attached. This is from a reporting exercise carried out by the library that is part of the annual Argonne PEMP requirements. How can it be that the entire Division only had 7 papers in one year? Something must be wrong! 1. It could be that the paper was counted with some other Division as the primary. 2. Or your papers are just missing because the WoS search is highly incomplete (true in my case). Samantha, can you check this listing against our PANDA records? We have until October 31 to fix this. We really need to have our own records of what we are publishing, the current situation is patently ridiculous. Please check to see which of your publications are missing and let's collect them. I have started a document in the CPS Basecamp for the PEMP reporting: https://3.basecamp.com/3115476/buckets/11926740/documents/3033452659 A good target date to have the info completed would be the first week of October. Thanks! Salman

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CPS publications
by Habib, Salman 17 Sep '20

17 Sep '20

Hi Everyone, I just got a listing of all the peer reviewed publications from CPS for the last fiscal year (as found in Web of Science), see attached. This is from a reporting exercise carried out by the library that is part of the annual Argonne PEMP requirements. How can it be that the entire Division only had 7 papers in one year? Something must be wrong! 1. It could be that the paper was counted with some other Division as the primary. 2. Or your papers are just missing because the WoS search is highly incomplete (true in my case). Samantha, can you check this listing against our PANDA records? We have until October 31 to fix this. We really need to have our own records of what we are publishing, the current situation is patently ridiculous. Please check to see which of your publications are missing and let's collect them. I have started a document in the CPS Basecamp for the PEMP reporting: https://3.basecamp.com/3115476/buckets/11926740/documents/3033452659 A good target date to have the info completed would be the first week of October. Thanks! Salman

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Request time on ThetaGPU
by Riley, Katherine M. 17 Sep '20

17 Sep '20

Dear Argonne Computing Community, The ALCF will begin allocating time for approved ThetaGPU requests starting on Tuesday, September 22. ThetaGPU was fully dedicated to coronavirus research when deployed in May. While coronavirus research will remain the system's top priority, we are expanding ThetaGPU’s availability to the broader Argonne user community. ThetaGPU is capable of handling complex and diverse workloads, integrating data analytics with AI training and learning into a single platform. To be considered for an allocation award, please submit your request using our Discretionary Allocation Request form at https://accounts.alcf.anl.gov/#!/allocationRequest Please note that during this early rollout period, there will be limited support on ThetaGPU. For technical details, visit https://www.alcf.anl.gov/support-center/theta/theta-thetagpu-overview#theta… Please contact support(a)alcf.anl.gov to get answers to your questions. Kind regards, Katherine -- Katherine Riley Director of Science Leadership Computing Facility Argonne National Laboratory -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Fwd: VIP Reminder: Sept 23 Talk on Optimizing Application Performance with ACM Fellow Emery Berger
by Habib, Salman 17 Sep '20

17 Sep '20

FYI -- may be of interest to some people. Salman -------- Forwarded Message -------- Subject: VIP Reminder: Sept 23 Talk on Optimizing Application Performance with ACM Fellow Emery Berger Date: Thu, 17 Sep 2020 11:43:17 -0400 From: ACM Learning Center <learning(a)acm.org><mailto:[email protected]> To: (No Name Available) <habib(a)ANL.GOV><mailto:[email protected]> ACM TechTalks<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x324f18x035…> September 17, 2020 [to view image click on]" VIP Reminder: Sept 23 Talk on Optimizing Application Performance with ACM Fellow Emery Berger [to view image click on] You are receiving this email because you registered for a previous ACM TechTalk. As such, we consider you a TechTalk VIP. If you haven't done so already, register now<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x324e90x035…> for the next free ACM TechTalk, "Performance (Really) Matters," presented on Wednesday, September 23 at 12:00 PM ET/9:00 AM PT by Emery Berger, ACM Fellow and Professor at the University of Massachusetts Amherst. Milind Kulkarni, Associate Professor at Purdue University, will moderate the questions and answers session following the talk. Leave your comments and questions with our speaker now and any time before the live event on ACM's Discourse Page<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x324e91x035…>. And check out the page after the webcast for extended discussion with your peers in the computing community, as well as further resources on Performance Optimization. (If you'd like to attend but can't make it to the virtual event, you still need to register to receive a recording of the TechTalk when it becomes available.) Note: You can stream this and all ACM TechTalks on your mobile device, including smartphones and tablets. Performance clearly matters to users. For example, the most common software update on the AppStore is "Bug fixes and performance enhancements." Now that Moore's Law has ended, programmers have to work hard to get high performance for their applications. But why is performance hard to deliver? In this talk, Emery Berger will first explain why current approaches to evaluating and optimizing performance don't work. He'll show how complicated performance has become on modern systems, and how compiler optimizations have essentially run out of steam. Next, he'll introduce two radically new performance profilers that guide programmers directly to the code they need to change to improve application performance. The first is Coz, a new "causal profiler" for C/C++/Rust (with a Java version as well) that lets programmers optimize for throughput or latency, and which pinpoints and accurately predicts the impact of optimizations via "virtual speedup" experiments. The second is Scalene, a "scripting-language aware" profiler for Python (with other scripting languages to come). Scalene runs orders of magnitude faster than other profilers while delivering far more detailed information--information that's especially valuable to Python programmers. Duration: 60 minutes (including audience Q&A) Presenter: Emery Berger, Professor,University of Massachusetts Amherst, ACM Fellow Emery Berger is a Professor in the College of Information and Computer Sciences at the University of Massachusetts Amherst. He graduated with a PhD in Computer Science from the University of Texas at Austin in 2002. Professor Berger has been a Visiting Scientist at Microsoft Research and at the Universitat Politecnica de Catalunya (UPC)/Barcelona Supercomputing Center (BSC). Professor Berger's research spans programming languages, runtime systems, and operating systems, with a particular focus on systems that transparently improve reliability, security, and performance. He and his collaborators have created a number of influential software systems including Hoard, a fast and scalable memory manager that accelerates multithreaded applications (used by companies including British Telecom, Cisco, Credit Suisse, Reuters, Royal Bank of Canada, SAP, and Tata, and on which the Mac OS X memory manager is based); DieHard, an error-avoiding memory manager that directly influenced the design of the Windows 7 Fault-Tolerant Heap; and DieHarder, a secure memory manager that was an inspiration for hardening changes made to the Windows 8 heap. His honors include a Microsoft Research Fellowship, an NSF CAREER Award, a Lilly Teaching Fellowship, the Distinguished Artifact Award for PLDI 2014, the Most Influential Paper Award at OOPSLA 2012, th eMost Influential Paper Award at PLDI 2016, the ASPLOS 2019 Influential Paper Award, five CACM Research Highlights, a Google Research Award, a Microsoft SEIF Award, and Best Paper Awards at FAST, OOPSLA, and SOSP; he was named an ACM Fellow in 2019. Professor Berger is currently serving his second term as an elected member of the SIGPLAN Executive Committee; he served for a decade (2007-2017) as Associate Editor of the ACM Transactions on Programming Languages and Systems, was Program Chair for PLDI 2016, and is co-Program Chair of ASPLOS 2021. Moderator: Milind Kulkarni, Associate Professor, Purdue University Milind Kulkarni is an associate professor in the School of Electrical and Computer Engineering at Purdue University. He received Bachelor's degrees from North Carolina State University, and his PhD from Cornell University. His research focuses on developing languages, compilers, and systems that can efficiently and effectively exploit locality and parallelism in complex applications on complex computation platforms. He received the NSF CAREER award in 2012 and the Department of Energy Early Career Research Award in 2013 for his work on optimizing irregular applications. He was awarded the Presidential Early Career Award for Scientists and Engineers in 2016. He has received numerous departmental, college, and university awards recognizing his teaching. He is a member of the ACM, and a senior member of the IEEE. Visit learning.acm.org/techtalks-archive<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x324f19x035…> for our full archive of past TechTalks. [to view image click on] Association for Computing Machinery 1601 Broadway, 10th Floor, New York, NY 10019 Copyright © 2020, ACM, Inc. All rights reserved You are subscribed with: habib(a)ANL.GOV<mailto:[email protected]> Unsubscribe<https://LISTSERV.ACM.ORG/SCRIPTS/WA-ACMLPX.CGI?TICKET=NzM3NzE1IGhhYmliQEFOT…> Connect with us: [to view image click on]<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x315864x035…> [to view image click on] <https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x322b4bx035…> [to view image click on] <https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x31aa94x035…> [to view image click on]<https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x319f03x035…> [to view image click on] <https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x3242d3x035…> [to view image click on] <https://orange.hosting.lsoft.com/trk/click?ref=znwrbbrs9_6-270b5x319d71x035…> [to view image click on] <mailto:[email protected]>

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Canceled: LAnS Yoga Challenge
by Lenzi, Amanda 17 Sep '20

17 Sep '20

-- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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REMINDER: CELS Coffee Time is today from 2:00-3:00
by Werner, Janet M. 16 Sep '20

16 Sep '20

Hello, This is a friendly reminder of the CELS Coffee Time, today, Wednesday, at 2pm – 3pm. The speaker for today is Romit Maulik and the title of his talk is “Generalizable spatial fluid flow recovery with neural networks from unstructured data". Participate by using Romit’s Blue Jean info: https://bluejeans.com/8017821997 Janet Werner Mathematics & Computer Science Division of Argonne National Laboratory (630) 252-3050 jwerner(a)anl.gov<mailto:[email protected]> -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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Re: Seminar Announcement: Addressing Challenges in Modeling Subsurface Phenomena Using HPC, Computational Geometry and Applied Mathematics
by Balaji, Pavan 15 Sep '20

15 Sep '20

Folks, Reminder for the seminar this morning at 9am. Please join if you can. Regards, — Pavan On Sep 8, 2020, at 2:32 PM, Stover, Joan M. <jstover(a)alcf.anl.gov<mailto:[email protected]>> wrote: MCS Seminar Presentation via BlueJeans Videoconferencing Seminar Title: Addressing Challenges in Modeling Subsurface Phenomena Using HPC, Computational Geometry and Applied Mathematics Speaker: Saumik Dana, PhD Affiliation: Baylor College of Medicine Date: Tuesday, September 15, 2020 Time: 9:00 am – 10:00 am Host: Pavan Balaji Abstract: The problem of coupling of flow and geomechanics in subsurface has been a subject of intensive study in the realm of energy and environmental applications such as land subsidence and carbon sequestration among others. Land subsidence is a gradual settling or sudden sinking of the Earth's surface due to removal or displacement of subsurface earth materials. Carbon sequestration is the long-term removal, capture or sequestration of carbon dioxide from the atmosphere to slow or reverse atmospheric CO2 pollution and to mitigate or reverse global warming. All of these problems have two characteristics: one, they are of multi-physics nature combining one or more of the effects, such as elasticity, flow, transport, chemical reactions etc. and, secondly, they are large scale problems marked by highly heterogeneous material properties. One of the main concerns with modeling is the disparity in length scales across physics for the coupled flow and mechanics models. We try to resolve this disparity by introducing computational geometry and HPC into a staggered solution algorithm. The algorithm solves the coupled problem by decoupling it and then solving the subproblems sequentially until convergence is achieved. The computational geometry aspect allows us to solve the decoupled problems on different grids. We then present some improvements to the algorithm for anisotropic cases. Some of the auxiliary method development will also be presented. Also presented is a graph theory-based model order reduction for modeling flow and transport in subsurface discrete fracture networks. This work was done at Los Alamos National Lab. Please use this link to attend the virtual seminar. https://bluejeans.com/195666220 _______________________________________________ seminars mailing list seminars(a)cels.anl.gov<mailto:[email protected]> https://lists.cels.anl.gov/mailman/listinfo/seminars Click the above link to unsubscribe. -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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QIS Seminar: Thursday, September 17
by Tezak, Samantha L. 14 Sep '20

14 Sep '20

There will be a QIS Seminar presented by Prof. Alán Aspuru-Guzik of the University of Toronto. His talk is titled “Quantum Computing with Fine Spirits” and the abstract is below. Join us after his presentation for a Q&A session. Abstract: Variational quantum algorithms are a promising set of tasks for near-term intermediate quantum computers (NISQ) In this talk, I will describe recent developments from our research group in variational quantum algorithms as applied to the simulation of chemistry and materials. I will also describe the open-source Tequila package for their development. Thursday, September 17, 2020 10:00 AM – 10:30 AM: Introduction 10:30 AM – 11:30 AM: Presentation 11:30 AM – 12:00 PM: Q&A BlueJeans Connection Details Phone Dial-in: +1-844-540-8065 Meeting ID 355 351 448 Click here<https://bluejeans.com/355351448> to join meeting on a computer or mobile device *************************************** Samantha L Tezak Executive Assistant, CPS Division Argonne National Laboratory 9700 S. Cass Avenue Lemont, IL 60439 Tel: (630) 252-6250 E-mail: stezak(a)anl.gov<mailto:[email protected]> **************************************** P Please consider the environment before printing this e-mail

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AI Seminar: Wednesday, September 16
by Tezak, Samantha L. 14 Sep '20

14 Sep '20

There will be an AI Seminar presented by Prof. Alán Aspuru-Guzik of the University of Toronto. His talk is titled “MADNESS: How to Build a Molecular Materials Acceleration Platform” and the abstract is below. Join us after his presentation for a Q&A session. Abstract: In this talk, I will discuss our group's efforts in building an AI-driven closed-loop discovery laboratory (aka Materials Acceleration Platform) for the accelerated discovery of solid-state organic lasing materials. Under the support of DARPA, Accelerated Molecular Discovery program, we assembled a team including the research groups of Lee Cronin, Bartosz Grzybowski, Martin Burke, Jason Hein and myself to try to tackle this challenge. I will discuss our main objectives, the tools that we have been building along the way, and also try to share the challenges that we are facing to achieve closed-loop discovery. In particular, I will discuss aspects related to building robotic-accessible synthetic libraries, the development of iterative coupling schemes, in-line analytical systems and the associated databases, computational screening tools and Bayesian optimization algorithms. I will end the talk with a perspective of where the field may be going. Wednesday, September 16, 2020 12:30 PM – 1:00 PM: Introduction 1:00 PM – 2:00 PM: Presentation 2:00 PM – 2:30 PM: Q&A BlueJeans Connection Details Phone Dial-in: +1-844-540-8065 Meeting ID 374 294 055 Click here<https://bluejeans.com/374294055> to join meeting on a computer or mobile device *************************************** Samantha L Tezak Executive Assistant, CPS Division Argonne National Laboratory 9700 S. Cass Avenue Lemont, IL 60439 Tel: (630) 252-6250 E-mail: stezak(a)anl.gov<mailto:[email protected]> **************************************** P Please consider the environment before printing this e-mail

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Friendly Reminder: SC20 Virtual Meeting EARLY BIRD Registration ends 10/19/20
by Smagacz, Julie A. 10 Sep '20

10 Sep '20

REMINDER From: Julie Smagacz <smagacz(a)anl.gov> Date: Monday, August 3, 2020 at 1:30 PM To: "computing(a)anl.gov" <computing(a)anl.gov> Cc: "Hodge, Devin S." <DHodge(a)anl.gov>, "Ehling, Scott A." <sehling(a)anl.gov> Subject: ATTENTION: SC20 - Going Virtual Hello, As you may or may not know, SC20 Conference Organizers decided that Supercomputing 2020 (SC20) is going to be a virtual conference. Early Bird Registration with a fee opens on Friday, August 14, 2020 and closes on Monday, October 19, 2020. Conference registration fees can be found here<https://sc20.supercomputing.org/attend/register/>. SUPERVISOR/PI/CAS APPROVAL IS REQUIRED PRIOR TO REGISTERING Please take note: There are NO DOE LIMITATIONS set for virtual attendance to SC20. HOWEVER, since there are fees to attend, supervisor/PI/CAS approval will be required. Please be sure to obtain approval prior to registering. REGISTRATION When registering, please be sure to obtain a zero balance receipt and forward to administrative assistant for processing, registration reimbursements will be handled through Workday. HOTELS If you or your admin assistant booked your hotel in one of the conference hotel blocks, it will be automatically cancelled without a penalty. If you made a reservation separately or with ADTRAV, please cancel or have your administrative assistant cancel as soon as possible to avoid any fees. Please let me know if you have any questions or concerns. Thank you, Julie Julie Smagacz Administrative Support Supervisor Computing, Environment, & Life Sciences Argonne National Laboratory From: Julie Smagacz <smagacz(a)anl.gov> Date: Thursday, April 30, 2020 at 3:36 PM To: "computing(a)anl.gov" <computing(a)anl.gov> Subject: ATTENTION : SC20 Lodging Opens - May 1, 2020 Hello, This is an informational email regarding SC20 -- THIS IS NOT APPROVAL TO ATTEND SC20 – DO NOT MAKE FLIGHT ARRANGEMENTS UNTIL FURTHER NOTICE. SC20 Georgia World Congress Center, Atlanta, GA November 15-20, 2020 https://sc20.supercomputing.org/attend/housing/ If you plan to attend SC20, housing/lodging opens tomorrow Friday, May 1, 2020, 8 a.m. Central Time. Hotels go FAST and the CELS Directorate would like to encourage anyone who plans to attend to book their hotel as early as possible. NOTE: When booking your hotel, it is very important to make a reservation that is 100% refundable. Again, this is not approval to attend. If you have any questions, please contact Julie Smagacz at smagacz(a)anl.gov<mailto:[email protected]>. IMPORTANT SC2020 Deadlines: https://sc20.supercomputing.org/important-deadlines/ Sincerely, Julie Smagacz Administrative Support Supervisor Computing, Environment, & Life Sciences Argonne National Laboratory 9700 South Cass Avenue, Bldg. 240 / 4C7 Lemont, IL. 60439 630-252-1452 -- Computing mailing list Computing(a)anl.gov https://lists.cels.anl.gov/mailman/listinfo/computing

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