diff --git a/_events-draft/hpcbp-001-all-codes.md b/_events-draft/hpcbp-001-all-codes.md new file mode 100644 index 0000000..2d5e7df --- /dev/null +++ b/_events-draft/hpcbp-001-all-codes.md @@ -0,0 +1,45 @@ +--- +startdate: "2016-05-04" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar001 +# +presenters: + - name: Anshu Dubey + affiliation: Argonne National Laboratory + github-id: adubey64 + bio: "Anshu Dubey is a Computer Scientist in the Mathematics and Computer Science Division at Argonne National Laboratory and a Senior Scientist in the Department of Computer Science at the University of Chicago. She is the chief software architect for FLASH, a multiphysics multiscale HPC software that is used by several science and engineering domains as their community code. She is interested in all aspects of HPC scientific software with special emphasis on design, productivity, and sustainability issues." +# +webinar-id: 1 +date: 2016-05-04T13:00-0500 +title: "What All Codes Should Do: Overview of Best Practices in HPC Software Development" +presenter-ids: [dubey-anshu] +artifacts: + - label: Recording + format: YouTube + yt-video-id: YJi05p4n1Gc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar001-160504-dubey-overview.pdf +# +location: online +# +--- +Scientific code developers have increasingly been adopting software +processes derived from the mainstream (non-scientific) community. +Software practices are typically adopted when continuing without them +becomes impractical. However, many software best practices need +modification and/or customization, partly because the codes are used +for research and exploration, and partly because of the combined +funding and sociological challenges. This presentation will describe +the lifecycle of scientific software and important ways in which it +differs from other software development. We will provide a +compilation of software engineering best practices that have generally +been found to be useful by science communities, and we will provide +guidelines for adoption of practices based on the size and the scope +of the project. + diff --git a/_events-draft/hpcbp-002-hpc-software.md b/_events-draft/hpcbp-002-hpc-software.md new file mode 100644 index 0000000..f538435 --- /dev/null +++ b/_events-draft/hpcbp-002-hpc-software.md @@ -0,0 +1,44 @@ +--- +startdate: "2016-05-18" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar002 +# +presenters: + - name: Barry Smith + affiliation: Argonne National Laboratory + github-id: BarrySmith +# +webinar-id: 2 +date: 2016-05-18T13:00-0500 +title: "Developing, Configuring, Building, and Deploying HPC Software" +presenter-ids: [smith-barry] +artifacts: + - label: Recording + format: YouTube + yt-video-id: pnH7JycpfiY + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar002-MakeConfigureIDE.pdf +# +location: online +# +--- +The process of developing HPC software requires consideration of +issues in software design as well as practices that support the +collaborative writing of well-structured code that is easy to +maintain, extend, and support. This presentation will provide an +overview of development environments and how to configure, build, and +deploy HPC software using some of the tools that are frequently used +in the community. We will also discuss ways in which these and other +tools are best utilized by various categories of scientific software +developers, ranging from small teams (for example, a faculty member +and graduate students who are writing research code intended primarily +for their own use) through moderate/large teams (for example, +collaborating developers spread among multiple institutions who are +writing publicly distributable code intended for use by others in the +community). diff --git a/_events-draft/hpcbp-003-vc-ci.md b/_events-draft/hpcbp-003-vc-ci.md new file mode 100644 index 0000000..cc383f3 --- /dev/null +++ b/_events-draft/hpcbp-003-vc-ci.md @@ -0,0 +1,44 @@ +--- +startdate: "2016-06-02" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar003 +# +presenters: + - name: Jeff Johnson + affiliation: Lawrence Berkeley National Laboratory + github-id: jnjohnsonlbl +# +webinar-id: 3 +date: 2016-06-02T13:00-0500 +title: "Distributed Version Control and Continuous Integration Testing" +presenter-ids: [johnson-jeff] +artifacts: + - label: Recording + format: YouTube + yt-video-id: cqH-PIRpnRo + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar003-HPC-Session3.pdf +# +location: online +# +--- +Recently, many tools and workflows have emerged in the software +industry that have greatly enhanced the productivity of development +teams. GitHub, a site that hosts projects in Git repositories, is a +popular platform for open source and closed source projects. GitHub +has encoded several best practices into easily followed procedures +such as pull requests, which enrich the software engineering +vocabularies of non-professionals and professionals alike. GitHub +also provides integration to other services (for example, continuous +integration such as Travis CI, which allows code changes to be +automatically tested before they are merged into a master development +branch). This presentation will discuss how to set up a project on +GitHub, illustrate the use of pull requests to incorporate code +changes, and show how Travis CI can be used to boost confidence that +changes will not break existing code. diff --git a/_events-draft/hpcbp-004-testing-documentation.md b/_events-draft/hpcbp-004-testing-documentation.md new file mode 100644 index 0000000..7ca6257 --- /dev/null +++ b/_events-draft/hpcbp-004-testing-documentation.md @@ -0,0 +1,41 @@ +--- +startdate: "2016-06-15" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar004 +# +presenters: + - name: Alicia Klinvex + affiliation: Sandia National Laboratories + github-id: amklinv +# +webinar-id: 4 +date: 2016-06-15T13:00-0500 +title: "Testing and Documenting your Code" +presenter-ids: [klinvex-alicia] +artifacts: + - label: Recording + format: YouTube + yt-video-id: kAC0N84JaHA + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar004-testing-klinvex.pdf +# +location: online +# +--- +Software verification and validation are needed for high-quality and +reliable scientific codes. For software with moderate to long +lifecycles, a strong automated testing regime is indispensable for +continued reliability. Similarly, comprehensive and comprehensible +documentation is vital for code maintenance and extensibility. This +presentation will provide guidelines on testing and documentation that +can help to ensure high-quality and long-lived HPC software. We will +present methodologies, with examples, for developing tests and +adopting regular automated testing. We also will provide guidelines +for minimum, adequate, and good documentation practices depending on +the available resources of the development team. diff --git a/_events-draft/hpcbp-005-hpc.md b/_events-draft/hpcbp-005-hpc.md new file mode 100644 index 0000000..501fdec --- /dev/null +++ b/_events-draft/hpcbp-005-hpc.md @@ -0,0 +1,40 @@ +--- +startdate: "2016-07-14" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar005 +# +presenters: + - name: Katherine Riley + affiliation: Argonne Leadership Comptuting Facility + github-id: kmriley +# +webinar-id: 5 +date: 2016-07-14T13:00-0500 +title: "How the HPC Environment is Different from the Desktop (and Why)" +presenter-ids: [riley-katherine] +artifacts: + - label: Recording + format: YouTube + yt-video-id: rNHd6rbvxro + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar005-supercomputers.pdf +# +location: online +# +--- +High performance computing has transformed how science and engineering +research is conducted. Answering a question in 30 minutes that used +to take 6 months can quickly change the way one asks questions. Large +computing facilities provide access to some of the world’s largest +computing, data, and network resources in the world. Indeed, the DOE +complex has the highest concentration of supercomputing capability in +the world. However, by nature of their existence, making use of the +largest computers in the world can be a challenging and unique +task. This talk will discuss how supercomputers are unique and explain +how that impacts their use. diff --git a/_events-draft/hpcbp-006-parallel-io.md b/_events-draft/hpcbp-006-parallel-io.md new file mode 100644 index 0000000..799af91 --- /dev/null +++ b/_events-draft/hpcbp-006-parallel-io.md @@ -0,0 +1,49 @@ +--- +startdate: "2016-07-28" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar006 +# +presenters: + - name: Feiyi Wang + affiliation: Oak Ridge Leadership Computing Facility + github-id: fwang2 + bio: "Feiyi Wang received his Ph.D. in Computer Engineering from North +Carolina State University (NCSU). Before he joined Oak Ridge National +Laboratory as research scientist, he worked at Cisco Systems and +Microelectronic Center of North Carolina (MCNC) as a lead developer +and principal investigator for several DARPA-funded projects. His +current research interests include high performance storage system, +parallel I/O and file systems, fault tolerance and system simulation, +and scientific data management and integration. Dr. Wang is a Joint +Faculty Professor at EECS Department of University of Tennessee and a +senior member of IEEE." +# +webinar-id: 6 +date: 2016-07-28T13:00-0500 +title: "An Introduction to High-Performance Parallel I/O" +presenter-ids: [wang-feiyi] +artifacts: + - label: Recording + format: YouTube + yt-video-id: amknrPhFs-8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar006-2016_HPC_IO_Intro.pdf +# +location: online +# +--- +Parallel data management is a complex problem at large-scale HPC +environments. The HPC I/O stack can be viewed as a multi-layered cake +and presents an high-level abstraction to the scientists. While this +abstraction shields the users from many of the I/O system details, it +is very hard to obtain parallel I/O performance or functionality +without understanding the end-to-end hierarchical I/O stack in today’s +modern complex HPC environments. This talk will introduce the basic +parallel I/O concepts and will provide guidelines on obtaining better +I/O performance on large-scale parallel platforms. diff --git a/_events-draft/hpcbp-007-performanceanalysis.md b/_events-draft/hpcbp-007-performanceanalysis.md new file mode 100644 index 0000000..7aaba0a --- /dev/null +++ b/_events-draft/hpcbp-007-performanceanalysis.md @@ -0,0 +1,47 @@ +--- +startdate: "2016-08-09" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-Classic" +link-id: webinar007 +# +presenters: + - name: Jack Deslippe + affiliation: Lawrence Berkeley National Laboratory + github-id: jdeslip +# +webinar-id: 7 +date: 2016-08-09T13:00-0400 +title: Basic Performance Analysis and Optimization – An Ant Farm Approach +presenter-ids: [deslippe-jack] +artifacts: + - label: Recording + format: YouTube + yt-video-id: -qxJf6YJ3fc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar007-160809-deslippe-antfarm.pdf +# +location: online +# +--- +How is optimizing HPC applications like an Ant Farm? Attend this +presentation to find out. We’ll discuss the basic concepts around +optimizing code for the HPC systems of today and tomorrow. These +systems require codes to effectively exploit both parallelism between +nodes and an ever growing amount of parallelism on-node. We’ll discuss +profiling strategies, tools (for profiling and debugging) and common +issues with both internode communication and on-node parallelism. We +will give an overview of traditional optimizations areas in HPC +applications like parallel IO and MPI strong and weak scaling as well +as topics relevant for modern GPU and many-core systems like +threading, SIMD/AVX, SIMT and effectively using cache and memory +hierarchies. The “Ant Farm” approach places a heavy emphasis on the +roofline performance model and encouraging users to understand the +compute, bandwidth and latency sensitivity of their applications and +kernels through a series of easy to perform experiments and an easy to +follow flow chart. Finally, we’ll discuss what we expect to change in +the optimization process as we move towards exascale computers. diff --git a/_events-draft/hpcbp-008-python.md b/_events-draft/hpcbp-008-python.md new file mode 100644 index 0000000..9fd5056 --- /dev/null +++ b/_events-draft/hpcbp-008-python.md @@ -0,0 +1,77 @@ +--- +startdate: "2017-06-07" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar008 +# +presenters: + - name: Rollin Thomas + affiliation: National Energy Research Scientific Computing Center + github-id: rcthomas + bio: "Rollin Thomas is a Big Data Architect in the Data +and Analytics Services group. Prior to joining NERSC in 2015, he was a +Staff Scientist in the Computational Research Division.  He has worked +on numerical simulations of supernova atmospheres, observation and +analysis of supernova spectroscopy data, and data management for +supernova cosmology experiments. Rollin has served as a member of the +Nearby Supernova Factory, is a builder on the Dark Energy Survey, and +is a full member of the Large Synoptic Survey Telescope Dark Energy +Science Collaboration.  He holds a B.S. in physics from Purdue +University and a Ph.D. in astrophysics from the University of +Oklahoma." + - name: William Scullin + affiliation: Argonne National Laboratory + github-id: wscullin + bio: "William Scullin is an Assistant Computational +Scientist Argonne Leadership Computing Facility. He is a HPC systems +expert and computational generalist with a strong background in +systems administration who enables science through skillful +utilization of some of the largest supercomputers on Earth. He was an +active developer and evangelist of Python software and tools to +improve system and scientific productivity in HPC environments." + - name: Matt Belhorn + affiliation: Oak Ridge National Laboratory + github-id: mpbelhorn + bio: "Matt Belhorn is an HPC support specialist, +providing technical support and training to researchers employing the +OLCF’s leadership-class public research compute resources. Matt has a +research background in experimental high-energy particle physics. He +was a long-time collaborator of the Belle and BelleII CP-violation +experiments located at the Japanese High-Energy Accelerator Research +Organization (KEK). His research efforts include contributions to the +design and construction of BelleII’s Imaging Time-of-Propagation +(iTOP) counter. Matt developed his interest in high-performance +computing while analyzing the physics of spontaneous +particle-antiparticle oscillations." +# +webinar-id: 8 +date: 2017-06-07T13:00-0400 +title: "Python in HPC" +presenter-ids: [thomas-rollin, scullin-william, belhorn-matt] +artifacts: + - label: Recording + format: YouTube + yt-video-id: lSrfZHu3BZw + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar008-IDEAS-Python-in-HPC-Thomas-Scullin-Belhorn.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/PythoninHPCGoogleDoc.pdf +# +location: online +# +--- +Python’s powerful elegance has driven its adoption at HPC centers for +job orchestration, visualization, exploratory data analysis, and even +simulation. But maximizing performance from Python applications can +be challenging especially on supercomputing architectures. This +webinar will explain those challenges with a practical emphasis on +using Python at NERSC, ALCF, and OLCF. We will outline a variety of +performance optimization strategies, tools for measuring and +addressing performance problems, and establish best practices for +Python in HPC. diff --git a/_events-draft/hpcbp-009-git.md b/_events-draft/hpcbp-009-git.md new file mode 100644 index 0000000..a401acf --- /dev/null +++ b/_events-draft/hpcbp-009-git.md @@ -0,0 +1,55 @@ +--- +startdate: "2017-07-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar009 +# +presenters: + - name: Roscoe A. Bartlett + affiliation: Sandia National Laboratories + github-id: bartlettroscoe + bio: "Roscoe Bartlett is a member of the Center for +Computing Research at Sandia National Laboratories. His research +interests include Agile Software Engineering and Integration Processes +for Computational Science and Engineering, Object-Oriented Software +Engineering for Large-Scale Numerics and,  Object-Oriented Programming +in C++. Ross holds a Ph.D. in Chemical Engineering from Carnegie +Mellon University (2001) and a B.S. Chemical Engineering from the +University of Maryland Baltimore County (1995)." +# +webinar-id: 9 +date: 2017-07-12T13:00-0400 +title: "Intermediate Git" +presenter-ids: [bartlett-roscoea] +artifacts: + - label: Recording + format: YouTube + yt-video-id: xBNlcq2B2E8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar009-IntermediateGitSlides-4.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar009-IntermediateGitQA-4.pdf + - label: Git Tutorial and Reference Collection + format: PDF + url: /assets/artifacts/hpcbp/webinar009-GitTutorialandReferenceCollection-4.pdf +# +location: online +# +--- +This presentation will emphasize intermediate-level tutorial and +reference information about the Git version control (VC) system. This +overview takes the view that the best way to learn to use Git +effectively is to learn it as a data structure and a set of algorithms +to manipulate that data structure. This perspective is important +because the Git command-line interface is widely considered to be +overly complex and confusing. For example, a Git command like +‘checkout’ can do wildly different things depending on the other +arguments passed into the command or the state of the Git repository. +But Git is still the dominant VC system; many people consider that Git +has won the version control wars due to its power and flexibility. diff --git a/_events-draft/hpcbp-010-roofline.md b/_events-draft/hpcbp-010-roofline.md new file mode 100644 index 0000000..89f9652 --- /dev/null +++ b/_events-draft/hpcbp-010-roofline.md @@ -0,0 +1,66 @@ +--- +startdate: "2017-08-16" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar010 +# +presenters: + - name: Sam Williams + affiliation: Lawrence Berkeley National Laboratory + github-id: swwilliams + bio: "Sam Williams is a staff scientist in the +Performance and Algorithms Research Group at the Lawrence Berkeley +National Laboratory (LBNL). He received his Ph.D. in Computer Science +from the University of California at Berkeley in 2008. His research +interests include high-performance computing, auto-tuning, performance +modeling, computer architecture, and hardware/software co-design. He +is currently involved in two ECP projects: AMReX (Adaptive Mesh +Refinement for Exascale) and YTune (a compiler-based approach to +auto-tuning). Sam is the main developer of the Roofline model." + - name: Tuomas Koskela + affiliation: National Energy Research Scientific Computing Center + github-id: tkoskela + bio: "Tuomas Koskela received his Ph.D. in applied +physics from Aalto University (Finland) in 2015. His thesis work was +on Monte Carlo modelling of fast ion confinement in Tokamak fusion +reactors under 3D magnetic perturbations. Currently, Tuomas is a +postdoc in the Exascale Science Applications Program of the National +Energy Scientific Computing Center. His research interests include +high-performance computing, plasma physics, nuclear fusion, fast ion +physics." +# +webinar-id: 10 +date: 2017-08-16T13:00-0400 +title: "Using the Roofline Model and Intel Advisor" +presenter-ids: [williams-sam, koskela-tuomas] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 8h3f3E-Oq5A + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar010-Roofline-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar010-Roofline-qa.pdf +# +location: online +# +--- +In this webinar, we will begin by introducing the Roofline Model and +its “Cache-Aware” variant. We will proceed with some general +guidelines and historical approaches to Roofline-based program +analysis. Next, we will provide a short discussion of how changes in +data locality and arithmetic intensity of two canonical benchmarks +visually manifest in the context of these two Roofline +formulations. Subsequently, we will provide two demonstrations of +using Intel Advisor and the Roofline model within Intel Advisor. The +first demo will be primarily instructive on how to compile, benchmark, +and use Advisor. The second demo will focus on using variants of a +simple benchmark to highlight changes in the Roofline model as well as +providing correlation to Advisor’s other capabilities. We will +conclude with a few comments on future directions. diff --git a/_events-draft/hpcbp-011-pm.md b/_events-draft/hpcbp-011-pm.md new file mode 100644 index 0000000..ff6fb0c --- /dev/null +++ b/_events-draft/hpcbp-011-pm.md @@ -0,0 +1,61 @@ +--- +startdate: "2017-09-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar011 +# +presenters: + - name: Mike Heroux + affiliation: Sandia National Laboratories + github-id: maherou + bio: "Michael Heroux is a senior scientist at the +Center for Computing Research, Sandia National Laboratories, in +Albuquerque, New Mexico. In his career, Michael has worked on various +aspects of High Performance Computing, going back to Cray Research in +the early 90’s. At Sandia, he works on new parallel algorithm +developments for problems of interest to Sandia and the broader +scientific and engineering community. Michael leads the development of +Trilinos, which provides state of the art solution methods in a state +of the art software framework, the Mantevo project, which focuses on +the development of Open Source, portable mini-applications and +mini-drivers for scientific and engineering applications, and the +(Interoperable Design of Extreme-scale Application Software-ECP) +IDEAS-ECP project, which is dedicated to engaging with scientific +software teams to identify and promote practices that improve software +productivity and sustainability." +# +webinar-id: 11 +date: 2017-09-13T13:00-0400 +title: "Barely Sufficient Project Management: A few techniques for improving your scientific software development efforts" +presenter-ids: [heroux-mike] +artifacts: + - label: Recording + format: YouTube + yt-video-id: qL_8O8QMUtk + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/session011-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/session011-qa.pdf +# +location: online +# +--- +Software development is an essential activity for many scientific +teams. Modeling, simulation and data analysis, using team-developed +software, are increasing valuable for scientific discovery and +engineering. Many teams use informal, ad hoc approaches for managing +their software efforts. While sufficient for many efforts, a modest +emphasis on team models and processes can substantially improve +developer productivity and software sustainability. In this +presentation, we discuss several light-weight techniques for managing +scientific software efforts. Using checklists, policy statements and +a Kanban workflow system, we emphasize techniques for managing the +initiation and exit of team members, approaches to synthesizing team +culture, and ways to improve communication within a team and with its +stakeholders. diff --git a/_events-draft/hpcbp-012-defects.md b/_events-draft/hpcbp-012-defects.md new file mode 100644 index 0000000..d540590 --- /dev/null +++ b/_events-draft/hpcbp-012-defects.md @@ -0,0 +1,59 @@ +--- +startdate: "2017-11-01" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar012 +# +presenters: + - name: Tom Evans + affiliation: Oak Ridge National Laboratory + github-id: tmdelellis + bio: "Thomas Evans works in the development, +implementation, and application of computational radiation transport +in nuclear engineering, radiation detection, astrophysics, high energy +density physics, and medical applications.  His interests include +stochastic and deterministic transport methods on massively parallel +platforms, nonlinear and time-dependent transport methods, coupled +physics including radiation-hydrodynamics and core-reactor physics, +acceleration and preconditioning techniques, optimization and +performance analysis, and large-scale scientific software design for +parallel codes.  He has published over 90 refereed journal and +conference articles on highly parallel stochastic and deterministic +transport methods, coupled physics including radiation-hydrodynamics +and core-reactor physics, acceleration and preconditioning techniques, +etc. He is the primary developer of the Denovo parallel deterministic +and Shift Monte Carlo transport codes at Oak Ridge National +Laboratory. He is currently a PI and Focus Area Deputy in Radiation +Transport for the Consortium for Advanced Simulation of Light Water +Reactors Energy Innovation Hub at Oak Ridge. He is also the PI for the +Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small +Modular Reactors (ExaSMR) Exascale Application Project (ECP)." +# +webinar-id: 12 +date: 2017-11-01T13:00-0500 +title: "Managing Defects in HPC Software Development" +presenter-ids: [evans-tom] +artifacts: + - label: Recording + format: YouTube + yt-video-id: iz7FhY0w0XM + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/session012-slides.pdf +# +location: online +# +--- +Software Quality Engineering (SQE) and methods research and scientific +investigation are often thought to be incompatible. However, in +reality they are not only compatible, but required in order to have +confidence in the results of even basic scientific computations. This +is especially true for parallel software. In this talk we will look +at methods for performing software verification. Software +verification is a method for removing defects at code construction +time; these techniques can help in both algorithm and method +development, as well as increased productivity. diff --git a/_events-draft/hpcbp-013-bssw.md b/_events-draft/hpcbp-013-bssw.md new file mode 100644 index 0000000..ba914a5 --- /dev/null +++ b/_events-draft/hpcbp-013-bssw.md @@ -0,0 +1,67 @@ +--- +startdate: "2017-12-06" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar013 +# +presenters: + - name: Mike Heroux + affiliation: Sandia National Laboratories + github-id: maherou + bio: "Mike Heroux is a senior scientist at the Center +for Computing Research, Sandia National Laboratories, in Albuquerque, +New Mexico. At Sandia, he works on new parallel algorithm developments +for problems of interest to Sandia and the broader scientific and +engineering community. Michael leads the development of Trilinos, +which provides state of the art solution methods in a state of the art +software framework, the Mantevo project, which focuses on the +development of Open Source, portable mini-applications and +mini-drivers for scientific and engineering applications. He strongly +advocates practices that improve software productivity and +sustainability." + - name: Lois Curfman McInnes + affiliation: Argonne National Laboratory + github-id: curfman + bio: "Lois Curfman McInnes is a senior scientist in +the Mathematics and Computer Science Division of Argonne National +Laboratory. Her work focuses on numerical algorithms and software for +the parallel solution of large-scale scientific applications involving +nonlinear partial differential equations and related optimization +problems in the well known PETSc and TAO libraries. She has been a +promoter of mechanisms for improving scientific software productivity +and sustainability, including the Extreme-scale Scientific Software +Development Kit (xSDK)." +# +webinar-id: 13 +date: 2017-12-06T13:00-0500 +title: "Better Scientific Software (https://bssw.io): So your code will see the future" +presenter-ids: [heroux-mike, mcinnes-loiscurfman] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 5waBynVgxuc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/bssw.site_.intro_.2017.12.6.pdf +# +location: online +# +--- +Better Scientific Software (BSSw) is an organization dedicated to +improving developer productivity and software sustainability for +computational science and engineering (CSE). This presentation will +introduce a new website ()—a community exchange for +scientific software improvement. We’re creating a clearinghouse to +gather, discuss, and disseminate experiences, techniques, tools, and +other resources to improve software productivity and sustainability +for CSE. Site users can find information on scientific software topics +and can propose to curate or create new content based on their own +experiences. The backend enables collaborative content development +using standard GitHub tools and processes. We need your contributions +to build the BSSw site into a vibrant resource, with content and +editorial processes provided by volunteers throughout the +international CSE community. Join us! diff --git a/_events-draft/hpcbp-014-bestpractices.md b/_events-draft/hpcbp-014-bestpractices.md new file mode 100644 index 0000000..28ace9f --- /dev/null +++ b/_events-draft/hpcbp-014-bestpractices.md @@ -0,0 +1,53 @@ +--- +startdate: "2018-01-17" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar014 +# +presenters: + - name: Charles R. Ferenbaugh + affiliation: Los Alamos National Laboratory + github-id: cferenba + bio: "Charles Ferenbaugh is a staff member in the +Applied Computer Science group at Los Alamos National Laboratory. He +received a PhD in Mathematics from Princeton University in 1992. Since +2001, he has been a software developer on HPC code projects in LANL’s +Advanced Simulation and Computing program. Most recently he has led +code refactoring efforts for the Eulerian Applications Project, and +contributed to the Next Generation Code project. He has also been a +part of LANL research efforts in advanced architectures and +programming models." +# +webinar-id: 14 +date: 2018-01-17T13:00-0500 +title: "Bringing Best Practices to a Long-Lived Production Code" +presenter-ids: [ferenbaugh-charlesr] +artifacts: + - label: Recording + format: YouTube + yt-video-id: utRT9StZrNM + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar014-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar014-qa.pdf +# +location: online +# +--- +How can you introduce best software practices to a long-lived +scientific production code, with a significant user base, that has +“gotten along fine” for years doing things its own way? Often +developers in such projects must struggle with overly complex code, +inadequate documentation, little or no software process, and a “just +write the code fast” culture; these are challenges to software quality +that are generally not issues for new projects. In this presentation +we’ll discuss some of the peculiar problems faced by long-lived +scientific codes, and present a case study of how we’re dealing with +these issues at LANL in the xRage radiation-hydrodynamics simulation +code. diff --git a/_events-draft/hpcbp-015-jupyter.md b/_events-draft/hpcbp-015-jupyter.md new file mode 100644 index 0000000..1262201 --- /dev/null +++ b/_events-draft/hpcbp-015-jupyter.md @@ -0,0 +1,79 @@ +--- +startdate: "2018-02-28" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar015 +# +presenters: + - name: Matthias Bussonnier + affiliation: UC Berkeley + github-id: Carreau + bio: "Matthias Bussonnier is a Postdoctoral +Scholar at the University Of California Berkeley Institute of +Datascience. Matthias is a Co-Founder of Jupyter and Core developer of +IPython/Jupyter since 2012.  Matthias is mostly working on the core +Python component of Jupyter and the IPython kernel. He holds a PhD in +Biophysics from the Institut Curie, Paris, France." + - name: Suhas Somnath + affiliation: Oak Ridge National Laboratory + github-id: ssomnath + bio: "Suhas Somnath is a member of the OLCF’s Advanced +Data and Workflows group and an expert in analytics for scanning probe +microscopy (SPM). As a postdoctoral fellow at the Center for Nanophase +Materials Science, he was among the five scientists who developed a +fundamentally new approach towards capturing and analyzing data in SPM +which was recognized with an R&D 100 award. He earned his PhD in +mechanical engineering from the University of Illinois, +Urbana-Champaign." + - name: Shreyas Cholia + affiliation: National Energy Research Scientific Computing Center + bio: "Shreyas Cholia is a computational systems engineer +working on technologies to enhance the scientific big-data +capabilities at NERSC. He is the lead developer of NEWT, a web service +that allows you to access computing resources at NERSC. Shreyas also +shares an appointment with the Data Science and Technology department +in LBNL’s Computational Research Division. He graduated from Rice +University, double majoring in Computer Science and Cognitive +Sciences." +# +webinar-id: 15 +date: 2018-02-28T13:00-0500 +title: "Jupyter and HPC: Current State and Future Roadmap" +presenter-ids: [bussonnier-matthias, somnath-suhas, cholia-shreyas] +artifacts: + - label: Recording + format: YouTube + yt-video-id: aKah_O5OZdE + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar015-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar015-qa.pdf +# +location: online +# +--- +During the last few years the Jupyter notebook has become one of the +tools of choice for the data science and high-performance computing +(HPC) communities. This webinar will provide an overview of why +Jupyter is gaining traction in education, data science, and HPC, with +emphasis on how notebooks can be used as interactive documents for +exploration and reporting. We will present an overview of how Jupyter +works and how the network protocol can be leveraged for both a local +single machine and remote-cluster work. We will discuss the nuts and +bolts of how Jupyter has been deployed at NERSC as a case study in +implementation of Jupyter in an HPC environment. This work implies +learning the Jupyter ecosystem to take advantage of its powerful +abstractions to develop custom infrastructure to satisfy policies and +user needs. The webinar will show, as a use case, how Jupyter +notebooks have transformed data discovery, visualization, and +interactive analysis for the scanning probe and electron microscopy +communities at Oak Ridge National Laboratory. It will also show how +notebooks can seamlessly accommodate measurements from a wide variety +of instruments through Pycroscopy, a framework for instrument agnostic +data storage and analysis. diff --git a/_events-draft/hpcbp-016-eclipse.md b/_events-draft/hpcbp-016-eclipse.md new file mode 100644 index 0000000..97b847c --- /dev/null +++ b/_events-draft/hpcbp-016-eclipse.md @@ -0,0 +1,59 @@ +--- +startdate: "2018-03-28" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar016 +# +presenters: + - name: Greg Watson + affiliation: Oak Ridge National Laboratory + github-id: jarrah42 + bio: "Gregory Watson is a Senior Research Scientist in +the Computer Science Research Group at Oak Ridge National +Laboratory. He received his Ph.D. from Monash University +in 2000. Gregory’s research interests include programming tools and +development environments for high performance and scientific +computing, software engineering practices, reproducibility, and +education and training for scientists. He is founder of the Eclipse +Parallel Tools Platform, a project that was originally started as a +collaboration between Los Alamos National Laboratory and IBM in 2004, +and that continues to be used across laboratories, academia, and +industry. He is also a founding member of the Eclipse Science Working +Group, and project leader of the Eclipse Science Top Level Project." +# +webinar-id: 16 +date: 2018-03-28T13:00-0400 +title: "Scientific Software Development with Eclipse" +presenter-ids: [watson-greg] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 8hWav1RN4b0 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar016-eclipse-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar016-eclipse-qa.pdf +# +location: online +# +--- +The Eclipse IDE is one of the most popular IDEs available, and its +support for multiple languages, particularly C, C++ and Fortran has +made it the go to IDE for scientific software development. Although an +IDE like Eclipse can provide advanced development capabilities such as +code recommendation and refactoring, these features can be difficult +to utilize for complex code bases. Other challenges, such as ease of +installation and use, reliability, and compatibility with existing +development practices also play a role. Ultimately the usefulness of +the tool is a tradeoff between the capabilities it provides and the +challenges of incorporating it into the development workflow. This +webinar will demonstrate some of the latest features available in +Eclipse that are particularly useful for scientific application +development, and examine how they can be used in a variety of +different scenarios using realistic sample codes. diff --git a/_events-draft/hpcbp-017-softwarecitation.md b/_events-draft/hpcbp-017-softwarecitation.md new file mode 100644 index 0000000..b79bef2 --- /dev/null +++ b/_events-draft/hpcbp-017-softwarecitation.md @@ -0,0 +1,58 @@ +--- +startdate: "2018-04-18" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar017 +# +presenters: + - name: Daniel S. Katz + affiliation: National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign + github-id: danielskatz + bio: "Daniel S. Katz is Assistant Director for +Scientific Software and Applications at the National Center for +Supercomputing Applications (NCSA), Research Associate Professor in +Computer Science (CS), Electrical and Computer Engineering (ECE), and +the School of Information Sciences (iSchool), at the University of +Illinois Urbana-Champaign. His research interests include policy +issues, such as citation and credit mechanisms and practices +associated with software and data, organization and community +practices for collaboration, and career paths for computing +researchers. Dan is one of the recipients of the 2018 BSSw +Fellowships. The BSSw Fellowships Program gives recognition and +funding to leaders and advocates of high-quality scientific software." +# +webinar-id: 17 +date: 2018-04-18T13:00-0400 +title: "Software Citation Today and Tomorrow" +presenter-ids: [katz-daniels] +artifacts: + - label: Recording + format: YouTube + yt-video-id: z4tQkPzwJxg + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar017-citation-slides-updated.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar017-qa.pdf +# +location: online +# +--- +Software is increasingly important in research, and some of the +scholarly communications community, for example, in FORCE11, has been +pushing the concept of software citations as a method to allow +software developers and maintainers to get academic credit for their +work: software releases are published and assigned DOIs, and software +users then cite these releases when they publish research that uses +the software. This webinar will discuss the state of software +citation, starting with history of work done by the FORCE11 Software +Citation Working Group, leading to a published set of software +citation principles (), as well +as other prior work. It will also talk about where the community is +going, what the obstacles to progress are, and how they may be +overcome. diff --git a/_events-draft/hpcbp-018-ondemandlearning.md b/_events-draft/hpcbp-018-ondemandlearning.md new file mode 100644 index 0000000..9d0eada --- /dev/null +++ b/_events-draft/hpcbp-018-ondemandlearning.md @@ -0,0 +1,61 @@ +--- +startdate: "2018-05-09" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar018 +# +presenters: + - name: Elaine Raybourn + affiliation: Sandia National Laboratories + github-id: elaineraybourn + bio: "Elaine Raybourn is a Principal Member of the +Technical Staff in Applied Cognitive Science at Sandia National +Laboratories. Her research focuses on transmedia learning and +immersive simulations. As a European Research Consortium for +Informatics and Mathematics (ERCIM) Fellow, she worked with software +teams at Fraunhofer FIT in Germany, the French National Institute for +Computer Science (INRIA), and BT Global Research and Development. She +holds a PhD in Intercultural Communication with an emphasis in Human +Computer Interaction from the University of New Mexico and a Graduate +Certificate in Modeling & Simulation of Behavioral Cybersecurity from +the University of Central Florida. Elaine is a member of IDEAS-ECP." +# +webinar-id: 18 +date: 2018-05-09T13:00-0400 +title: "On-demand Learning for Better Scientific Software: How to Use Resources & Technology to Optimize your Productivity" +presenter-ids: [raybourn-elaine] +artifacts: + - label: Recording + format: YouTube + yt-video-id: Ssh8VDj6Nro + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar018-slides.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar018-qa.pdf +# +location: online +# +--- +Continual advances in new technologies for computational science often +require members of the HPC community to learn new tools, techniques, +or processes on-demand, or outside of a formal education +setting. While the variety of media and deluge of content make +on-demand learning a reality, very few learners apply guiding +principles from learning science to set themselves up for +success. Applying on-demand learning strategies for self-paced +“learning in the wild” can augment professional learning courses from +EdX, Udacity, and YouTube. Employing use cases and examples from +Python and Git, this webinar will demonstrate how to develop a +personalized learning framework leveraging massively open online +courses (MOOC), podcasts, social media, videos, and more. A walk +through of relevant learning applications will be +provided. Participants of this webinar will take away practical +strategies, resources, and tools that can be applied toward learning +more productively in general, and specifically to software +development. diff --git a/_events-draft/hpcbp-019-popper.md b/_events-draft/hpcbp-019-popper.md new file mode 100644 index 0000000..ae10b0d --- /dev/null +++ b/_events-draft/hpcbp-019-popper.md @@ -0,0 +1,58 @@ +--- +startdate: "2018-06-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar019 +# +presenters: + - name: Ivo Jimenez + affiliation: UC Santa Cruz + github-id: ivotron + bio: "Ivo Jimenez is a PhD candidate at the UC +Santa Cruz Computer Science Department and a member of the Systems +Research Lab. He is interested in large-scale distributed data +management systems. His thesis focuses on the practical aspects in the +reproducible evaluation of systems research, work for which he was +awarded the 2018 Better Scientific Software Fellowship. Ivo is +originally from Mexico, where he got his B.S. in Computer Science from +Universidad de Sonora. From 2006 to 2010 he worked as a research +associate in the Database Research Lab at HP Labs. His goal in life is +to make a difference through science." +# +webinar-id: 19 +date: 2018-06-13T13:00-0400 +title: "Popper: Creating Reproducible Computational and Data Science Experimentation Pipelines" +presenter-ids: [jimenez-ivo] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 4cS0hS2nsrU + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar019-popper.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar019-qa.pdf +# +location: online +# +--- +Current approaches used in computational and data science research may +require significant time without necessarily advancing scientific +understanding. For example, researchers may spend countless hours +reformatting data and writing code to attempt to reproduce previously +published research. What if the scientific community could find a +better way to create and publish workflows, data, and models that are +easy to reproduce, thus streamlining scientific analysis? Popper is a +protocol and command language interpreter (CLI) tool for implementing +scientific exploration pipelines following a DevOps approach of +unifying software development and operation in order to handle +complexity in large codebases. Popper repurposes DevOps practices in +the context of scientific explorations, so that researchers can +leverage existing tools and technologies to enable +reproducibility. This webinar will introduce the Popper protocol, +including a demo of the CLI tool and HPC examples. diff --git a/_events-draft/hpcbp-020-opensource.md b/_events-draft/hpcbp-020-opensource.md new file mode 100644 index 0000000..b1f2a6a --- /dev/null +++ b/_events-draft/hpcbp-020-opensource.md @@ -0,0 +1,51 @@ +--- +startdate: "2018-07-18" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar020 +# +presenters: + - name: Ian Lee + affiliation: Lawrence Livermore National Laboratory + github-id: IanLee1521 + bio: "Ian Lee is a Computer Engineer working in the +High Performance Computing (HPC) facility at Lawrence Livermore +National Laboratory (LLNL), which is home to some of the largest +supercomputers on the planet. There, he has created a role performing +cyber assessment, penetration testing, and purple teaming duties for +the facility. Ian also has a strong background as a software +developer, with a passion for the use and development of open source +software and practices. His personal mission is to always 'leave +things better than you found them.'" +# +webinar-id: 20 +date: 2018-07-18T13:00-0400 +title: "How Open Source Software Supports the Largest Computers on the Planet" +presenter-ids: [lee-ian] +artifacts: + - label: Recording + format: YouTube + yt-video-id: -sX4lGMP88I + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar020-oss.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar020-qa.pdf +# +location: online +# +--- +This talk will provide an overview of the work at Lawrence Livermore +National Laboratory to re-vamp our open source project offerings, +release processes, and engagements across the Department of Energy and +the US government through efforts such as DOECode and Code.gov. We +will also discuss ongoing work to make it easier for our staff to +engage with open source communities, via both the creation of new +projects and contributions to existing open source projects. We +believe that these experiences and insights may be useful to a wide +range of developers of high-performance scientific software. diff --git a/_events-draft/hpcbp-021-softwaresustainability.md b/_events-draft/hpcbp-021-softwaresustainability.md new file mode 100644 index 0000000..81504d9 --- /dev/null +++ b/_events-draft/hpcbp-021-softwaresustainability.md @@ -0,0 +1,53 @@ +--- +startdate: "2018-08-21" +time: "12:00 pm - 01:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar021 +# +presenters: + - name: Neil Chue Hong + affiliation: Software Sustainability Institute, University of Edinburgh + github-id: npch + bio: "Neil Chue Hong is the founding Director and +Principal Investigator of the Software Sustainability Institute, and +is based at the University of Edinburgh. He enables research software +users and developers to drive the continued improvement and impact of +research software. He is the Editor-in-Chief of the Journal of Open +Research Software, the past Advisory Council chair of the Software +Carpentry Foundation, co-editor of 'Software Engineering for Science', +co-author of 'Best Practices for Scientific Computing' and 'An Open +Science Peer Review Oath', and chair of the EPSRC Strategic Advisory +Team on e-Infrastructure. His current research interests include +barriers and incentives in research software ecosystems and the role +of software as a research object." +# +webinar-id: 21 +date: 2018-08-21T12:00-0400 +title: "Software Sustainability — Lessons Learned from Different Disciplines" +presenter-ids: [chuehong-neil] +artifacts: + - label: Recording + format: YouTube + yt-video-id: kRL04zrGapQ + - label: Slides + format: FigShare + url: https://doi.org/10.6084/m9.figshare.6935840 + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar021-qa.pdf +# +location: online +# +--- +How do you make software sustainable? How much is it about process and +how much about practice? Does it vary between countries or +disciplines? In this webinar, I’ll present what the UK’s Software +Sustainability Institute has learned from 8 years of work in this area +including efforts around understanding the scale of software use in +research, raising the profile of software as a key part of the +research ecosystem, and how we can enable researchers and developers +to build better software. diff --git a/_events-draft/hpcbp-022-CMake.md b/_events-draft/hpcbp-022-CMake.md new file mode 100644 index 0000000..db9ff41 --- /dev/null +++ b/_events-draft/hpcbp-022-CMake.md @@ -0,0 +1,54 @@ +--- +startdate: "2018-09-19" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar022 +# +presenters: + - name: Bill Hoffman + affiliation: Kitware + github-id: billhoffman + bio: "Bill Hoffman is a founder of Kitware and +currently serves as Chairman of the Board, Vice President, and Chief +Technical Officer (CTO). He is the original author and lead architect +of CMake, an open source, cross-platform build +and configuration tool that is used by hundreds of projects around the +world, and he is the co-author of the accompanying text, Mastering +CMake. Using +his 20+ years of experience with large software systems development, +Mr. Hoffman is also a major technical contributor to Kitware’s +Visualization Toolkit, Insight Segmentation and Registration Toolkit, +and ParaView projects." +# +webinar-id: 22 +date: 2018-09-19T13:00-0400 +title: "Modern CMake" +presenter-ids: [hoffman-bill] +artifacts: + - label: Recording + format: YouTube + yt-video-id: sL00-ZDi4sk + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar022-cmake.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar022-cmake-qa.pdf +# +location: online +# +--- +Bill Hoffman, the creator of the CMake project, will give an +introduction to development with modern CMake constructs. CMake is 17 +years old and has evolved over time into the most widely used C++ +build tool in the world. In the past 5 years, many new features have +been added to CMake to make the creation of cross-platform build files +easier. This webinar will provide best practices for development and +maintenance of a CMake build system. The webinar will cover the +“target centric” approach to writing CMake files. In addition, testing +and quality dashboards with CDash will be covered. Kitware’s +experience with HPC systems and CMake will also be discussed. diff --git a/_events-draft/hpcbp-023-CI2SL.md b/_events-draft/hpcbp-023-CI2SL.md new file mode 100644 index 0000000..e584106 --- /dev/null +++ b/_events-draft/hpcbp-023-CI2SL.md @@ -0,0 +1,71 @@ +--- +startdate: "2018-10-17" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar023 +# +presenters: + - name: Daniel Smith + affiliation: Molecular Sciences Software Institute + github-id: dgasmith + bio: "Daniel Smith is Software Scientist at the +Molecular Sciences Software Institute (MolSSI), whose goal is to serve +as a nexus for science, education, and cooperation serving the +worldwide community of computational molecular scientists – a broad +field including of biomolecular simulation, quantum chemistry, and +materials science. +Daniel has a long history contributing to open-source scientific +projects such as the popular NumPy and Psi4 packages while also +emphasizing educational outreach through Software Carpentry and +MolSSI’s educational activities. His current research interest focuses +on community databases for quantum chemistry that will aid in next +generation molecular force fields, AI research, and novel method +performance assessment." + - name: Ben Pritchard + affiliation: Molecular Sciences Software Institute + github-id: bennybp + bio: "Ben Pritchard is a Software Scientist at the Molecular +Sciences Software Institute (MolSSI), whose goal is to serve as a +nexus for science, education, and cooperation serving the worldwide +community of computational molecular scientists – a broad field +including of biomolecular simulation, quantum chemistry, and materials +science. +Ben has a background in computational chemistry, receiving his +Ph.D. from the University at Buffalo in 2013. He has a lifelong +passion for computer programming, with current projects relating to +accuracy and precision of computational chemistry calculations. He +also has interests in long-term maintainability and reproducibility in +the computational sciences." +# +webinar-id: 23 +date: 2018-10-17T13:00-0400 +title: "Open Source Best Practices: From Continuous Integration to Static Linters" +presenter-ids: [smith-daniel, pritchard-ben] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 44ryG3PHIew + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar023-osbp.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar023-osbp-qa.pdf +# +location: online +# +--- +This webinar will continue the discussion of open source software +(OSS) opportunities within the scientific ecosystem to include the +many cloud and local services available to OSS free of charge. The +services to be discussed include continuous integration, code +coverage, and static analysis. The presenters will demonstrate the +usefulness of these tools and how a small time investment at the +beginning is traded for long-term benefits. These services and ideas +are agnostic to software language or HPC software application and +should apply to any party interested in tools that help ease the +burden of software maintenance. diff --git a/_events-draft/hpcbp-024-licensing.md b/_events-draft/hpcbp-024-licensing.md new file mode 100644 index 0000000..1aa51e4 --- /dev/null +++ b/_events-draft/hpcbp-024-licensing.md @@ -0,0 +1,49 @@ +--- +startdate: "2018-12-05" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar024 +# +presenters: + - name: David E. Bernholdt + affiliation: Oak Ridge National Laboratory + github-id: bernhold + bio: "David Bernholdt is a Distinguished R&D Staff +Member and Group Leader for Computer Science Research at Oak Ridge +National Laboratory. His research interests involve software +environments for scientific computing, broadly interpreted." +# +webinar-id: 24 +date: 2018-12-05-T13:00-0500 +title: "Introduction to Software Licensing" +presenter-ids: [bernholdt-davide] +artifacts: + - label: Recording + format: YouTube + yt-video-id: r4txigd2TdM + - label: Slides + format: FigShare + url: https://dx.doi.org/10.6084/m9.figshare.7409573 + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar024-licensing-qa.pdf +# +location: online +# +--- +Software licensing and related matters of intellectual property can +often seem confusing or hopelessly complicated, especially when many +present their opinions as dogma. This presentation takes a different +approach: getting you to think about software licensing from the +standpoint of what you want others to be able to do (or not do) with +your software. We will start by developing a common understanding of +the terminology used around software licenses. Then we’ll consider +various scenarios of what you might want to accomplish with a software +license, and what to look for in the license. We’ll also discuss some +pragmatic issues around actually applying a license to your +software. A list of resources will be provided to help with further +exploration of these topics. diff --git a/_events-draft/hpcbp-025-performanceportability.md b/_events-draft/hpcbp-025-performanceportability.md new file mode 100644 index 0000000..9e43d14 --- /dev/null +++ b/_events-draft/hpcbp-025-performanceportability.md @@ -0,0 +1,88 @@ +--- +startdate: "2019-01-23" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar025 +# +presenters: + - name: John Pennycook + affiliation: Intel + github-id: Pennycook + bio: "John Pennycook is an HPC Application +Engineer in the HPC Ecosystem and Applications team at Intel +Corporation, focused on enabling developers to fully utilize the +parallelism available in modern processors. He is experienced in +optimizing and parallelizing applications from a range of scientific +domains, and serves as Intel’s representative on the steering +committee for the Intel eXtreme Performance Users Group. John has a +PhD in Computer Science from the University of Warwick." + - name: Charlene Yang + affiliation: Lawrence Berkeley National Laboratory + bio: "Charlene Yang is an application performance +specialist at NERSC, LBNL. Her work is focused on performance +characterization, performance optimization, and performance +portability. Charlene works with code teams in the NERSC Exascale +Science Application Program, helps identify their codes’ performance +bottlenecks and provides advice on optimization strategies. Charlene +is an advocate of Roofline Performance Model and has been actively +involved in the development of this model. Charlene holds a PhD degree +in Electrical and Electronic Engineering from The University of +Western Australia." + - name: Jack Deslippe + affiliation: Lawrence Berkeley National Laboratory + github-id: jdeslip + bio: "Jack Deslippe is the application performance +group lead at NERSC. Jack and his group are partnering with DOE +application teams to evaluate and improve the performance of +applications on Cori and future systems at NERSC. He received a +Ph.D. from UC Berkeley in physics in 2011, with research centered on +computational materials physics and nano-science, including the +development and scaling of electronic-structure codes. Jack has been +at NERSC since 2011, acting as a consultant and developer for +materials science applications and currently leads the NERSC Exascale +Science Applications Program (NESAP)." +# +webinar-id: 25 +date: 2019-01-23T13:00-0500 +title: "Quantitatively Assessing Performance Portability with Roofline" +presenter-ids: [pennycook-john, yang-charlene, deslippe-jack] +artifacts: + - label: Recording + format: YouTube + yt-video-id: 2OvsMUQ2mj8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar025-perfport.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar025-qa.pdf +# +location: online +# +--- + Wouldn’t it be great if we could port a code to a new + high-performance architecture without substantially changing the code + yet achieving a similar level of performance as hand-optimized code? + This webinar will frame the discussion around ‘performance + portability’, why it is important and desirable, and how to + quantitatively measure it. The webinar will start with a background + check on how the concept of performance portability came about and + past attempts to define it and quantify it. Then we will introduce a + simple yet powerful metric and an empirical methodology to + quantitatively assess a code’s performance portability across + multiple platforms. The methodology uses the Roofline performance + model to measure an ‘architectural efficiency’ term in the metric + proposed by Pennycook et al. We will dive into a few nuances of this + methodology, for example, how and why empirical ceilings should be + used for performance bounds, how to accurately account for complex + instructions such as divides, how to model strided memory accesses, + and how to select the appropriate Roofline ceilings and application + performance points to make sure that the performance portability + analysis is not erroneously skewed. We will also show some results of + measuring performance portability using the aforementioned metric and + methodology on two modern architectures, Intel Xeon Phi and NVIDIA + V100 GPUs. diff --git a/_events-draft/hpcbp-026-containersinHPC.md b/_events-draft/hpcbp-026-containersinHPC.md new file mode 100644 index 0000000..d0567fb --- /dev/null +++ b/_events-draft/hpcbp-026-containersinHPC.md @@ -0,0 +1,49 @@ +--- +startdate: "2019-02-13" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar026 +# +presenters: + - name: Shane Canon + affiliation: Lawrence Berkeley National Laboratory + github-id: scanon + bio: "Shane Canon is a Senior Engineer at Lawrence Berkeley +Lab where he works in the NERSC Supercomputing Facility. Over Shane’s +20 year career, he has focused on enabling scientists to conduct +breakthrough science using large-scale systems including some of the +fastest computers and storage systems in the world. Most recently +Shane has focused on enabling data-intensive computing and container +computing on Supercomputing systems. Shane is also a senior member of +the DOE KnowledgeBase (KBase) project which is building a platform to +conduct biological research that can easily be shared and reproduced." +# +webinar-id: 26 +date: 2019-02-13T13:00-0500 +title: "Containers in HPC" +presenter-ids: [canon-shane] +artifacts: + - label: Recording + format: YouTube + yt-video-id: vzHnIS-bQQY + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar026-containers.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar026-containers-qa.pdf +# +location: online +# +--- +Containers have gained adoption in the HPC and scientific computing +space through specialized runtimes like Shifter, Singularity and +Charliecloud. Containers enable reproducible, shareable, portable +execution of applications. In this webinar, we will give a brief +introduction on how to build images and run containers on HPC +systems. We will also discuss some best practices to ensure containers +can take full advantage of HPC systems. diff --git a/_events-draft/hpcbp-027-HDF5.md b/_events-draft/hpcbp-027-HDF5.md new file mode 100644 index 0000000..e155b85 --- /dev/null +++ b/_events-draft/hpcbp-027-HDF5.md @@ -0,0 +1,49 @@ +--- +startdate: "2019-03-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar027 +# +presenters: + - name: Quincy Koziol + affiliation: National Energy Research Scientific Computing Center, Lawrence Berkeley National Laboratory + github-id: qkoziol + bio: "Quincey Koziol is a Principal Data Architect in the +National Energy Research Scientific Computing Center (NERSC) at +Lawrence Berkeley National Laboratory. He is responsible for helping +to build the software infrastructure that is needed to enable +scientists to process, analyze, manage and share data at the highest +scales." +# +webinar-id: 27 +date: 2019-03-13T13:00-0400 +title: "Parallel I/O with HDF5: Overview, Tuning, and New Features" +presenter-ids: [koziol-quincy] +artifacts: + - label: Recording + format: YouTube + yt-video-id: nR9pkl67GG4 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar027-hdf5.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar027-hdf5-qa.pdf +# +location: online +# +--- +HDF5 is a data model, file format, and I/O library that has become a +de facto standard for HPC applications to achieve scalable I/O and for +storing and managing big data from computer modeling, large physics +experiments and observations. This webinar will give an introduction +to using the HDF5 library, with a focus on parallel I/O and +performance tuning options. The webinar will also provide an overview +of the latest performance and productivity enhancement features being +developed as part of the DOE’s Exascale Computing Project (ECP) +ExaHDF5 effort, and will present optimizations used in improving I/O +performance of ECP applications. diff --git a/_events-draft/hpcbp-028-pFUnit.md b/_events-draft/hpcbp-028-pFUnit.md new file mode 100644 index 0000000..a1dac56 --- /dev/null +++ b/_events-draft/hpcbp-028-pFUnit.md @@ -0,0 +1,60 @@ +--- +startdate: "2019-04-10" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar028 +# +presenters: + - name: Thomas Clune + affiliation: NASA Goddard Space Flight Center + github-id: tclune + bio: "Dr. Thomas Clune currently serves as the +Lead for the Software Integration Team within the Global Modeling and +Assimilation Office at NASA’s Goddard Space Flight Center and also as +NASA’s representative on the Fortran Standards Committee.  Much of his +recent activities have been focused on leveraging object-oriented +features of modern Fortran to provide Fortran developers with analogs +of useful capabilities available in other software communities. His +open source projects include pFUnit (parallel unit testing for +Fortran), gFTL (poor-man’s container templates for Fortran), fArgParse +(command line processing), and pFlogger (an MPI-enhanced analog of +Python’s logging package)." +# +webinar-id: 28 +date: 2019-04-10T13:00-0400 +title: "Testing Fortran Software with pFUnit" +presenter-ids: [clune-thomas] +artifacts: + - label: Recording + format: YouTube + yt-video-id: RmTXDTL_Ce0 + - label: Extended Q&A Recording + format: YouTube + yt-video-id: RWZOVFz7UIg + dont-embed: true + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar028-pfunit.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar028-pfunit-qa.pdf +# +location: online +# +--- +Over the past two decades, the emergence of highly effective software +testing frameworks has greatly simplified the development and use of +unit tests and has led to new software development paradigms such as +test driven development (TDD). However, technical computing introduces +a number of unique testing challenges, including distributed +parallelism and numerical accuracy. This webinar will begin with a +basic introduction to the use of pFUnit to develop tests for +MPI+Fortran software and then present some of the new capabilities in +the latest release. We will also discuss some specialized +methodologies for testing numerical algorithms and speculate about +future framework capabilities that may improve our ability to test at +exascale. diff --git a/_events-draft/hpcbp-029-agile.md b/_events-draft/hpcbp-029-agile.md new file mode 100644 index 0000000..c50d1a7 --- /dev/null +++ b/_events-draft/hpcbp-029-agile.md @@ -0,0 +1,90 @@ +--- +startdate: "2019-05-08" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar029 +# +presenters: + - name: Mike Heroux + affiliation: Sandia National Laboratories + github-id: maherou + bio: "Mike Heroux is a Senior Scientist at Sandia +National Laboratories, Director of SW Technologies for the US DOE +Exascale Computing Project (ECP) and Scientist in Residence at +St. John’s University, MN. His research interests include all aspects +of scalable scientific and engineering software for new and emerging +parallel computing architectures. +He leads several projects in this field: ECP SW Technologies is an +integrated effort to provide the software stack for ECP. The Trilinos +Project (2004 R&D 100 winner) is an effort to provide reusable, +scalable scientific software components. The Mantevo Project (2013 R&D +100 winner) is focused on the development of open source, portable +mini-applications and mini-drivers for the co-design of future +supercomputers and applications. HPCG is an official TOP 500 benchmark +for ranking computer systems, complementing LINPACK. +Mike’s most recent interests are focused on improving scientific +software developer productivity and software sustainability. He leads +the IDEAS project, dedicated to engaging scientific software teams to +identify and adopt practices that improve productivity and +sustainability. +Mike is a Fellow of the Society for Industrial and Applied Mathematics +(SIAM), a Distinguished Member of the Association for Computing +Machinery (ACM), and a Senior Member of IEEE. He has been +Editor-in-Chief for the ACM Transactions on Mathematical Software +(2011 - 2016), Subject Area Editor for the Journal on Parallel and +Distributed Computing (2012 - 2016) and Associate Editor for the SIAM +Journal on Scientific Computing (2010 - 2015). He is a past chair of +the SIAM Activity Group on Supercomputing and is presently a member of +the Supercomputing Conference series steering committee, focusing +particularly on improving reproducibility in computational +science. Mike is also part of an NISO committee on Reproducibility +Badging. +Mike works remotely for Sandia, maintaining an office at home in rural +central Minnesota and at St. John’s University in the Computer Science +Department." +# +webinar-id: 29 +date: 2019-05-08T13:00-0400 +title: "So, You Want to Be Agile? Strategies for Introducing Agility Into Your Scientific Software Project" +presenter-ids: [heroux-mike] +artifacts: + - label: Recording + format: YouTube + yt-video-id: UvskSxMIfwI + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar029-agile.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar029-agile-qa.pdf +# +location: online +# +--- +Scientific software team cultures have natural consistencies with +agile practices. Discovery-driven development, a focus on regular +delivery of results, in-person discussions within and across research +teams, and a focus on long-term sustainable research programs are +commonplace dynamics on computational science teams that develop +software. These dynamics are also particular expressions of core agile +principles. + +Many scientific software teams have already assimilated industry best +practices in some aspects of their work. The advent of open software +development platforms such as GitHub and GitLab have accelerated +awareness and adoption, as have numerous on-line resources that enable +a motivated person to continue learning new ideas and approaches. Even +so, we propose that a healthy team habit is continued exploration and +improvement of software practices, processes and skills. + +In this webinar, we discuss a few agile practices and strategies that +are readily adapted and adopted by scientific software teams. In +addition, we describe an attitude and strategy for continual process +improvement that enables computational science teams to simultaneously +deliver science results and, at the same time, dedicate a slice of +time to improving software practices on their way to delivering those +results. diff --git a/_events-draft/hpcbp-030-cpp4HPC.md b/_events-draft/hpcbp-030-cpp4HPC.md new file mode 100644 index 0000000..27bcc5e --- /dev/null +++ b/_events-draft/hpcbp-030-cpp4HPC.md @@ -0,0 +1,56 @@ +--- +startdate: "2019-06-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar030 +# +presenters: + - name: Andrew Lumsdaine + affiliation: Pacific Northwest National Laboratory, University of Washington + github-id: lums658 + bio: "Andrew Lumsdaine is currently Chief +Scientist at the Northwest Institute for Advanced Computing, a +Seattle-based joint research institute between Pacific Northwest +National Laboratory and the University of Washington. His current +research interests focus on scalable graph analytics and the +convergence of Big Data, HPC, and machine learning. He and members of +his research group made several notable contributions to C++11, +including variadic templates, decltype, lambdas, and enable_if. Andrew +is one of the recipients of the 2019 BSSw Fellowships. The BSSw +Fellowships Program gives recognition and funding to leaders and +advocates of high-quality scientific software." +# +webinar-id: 30 +date: 2019-06-12T13:00-0400 +title: "Modern C++ for High-Performance Computing" +presenter-ids: [lumsdaine-andrew] +artifacts: + - label: Recording + format: YouTube + yt-video-id: d6-aRSzRf_k + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar030-cpp4hpc.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar030-cpp4HPC-qa.pdf +# +location: online +# +--- +Since its creation by Bjarne Stroustrup in the early 1980s, C++ has +steadily evolved to become a multi-paradigm programming language that +fully supports the needs of modern programmers. Because C++ had its +roots in the C programming language, conventional wisdom (and +longstanding practice) had been to use C++ in a dichotomous fashion: +abstractions for productivity with escape to C for +performance. However, C++ today is best viewed holistically — as it is +today — rather than as extension of C or even of earlier versions of +C++. In this webinar I will give a tour of features from modern C++ +relevant to HPC, along with guidelines for their use — and demonstrate +that C++ can offer productivity and elegance while sacrificing nothing +in performance. diff --git a/_events-draft/hpcbp-031-Apollo50th.md b/_events-draft/hpcbp-031-Apollo50th.md new file mode 100644 index 0000000..444d82b --- /dev/null +++ b/_events-draft/hpcbp-031-Apollo50th.md @@ -0,0 +1,55 @@ +--- +startdate: "2019-07-17" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar031 +# +presenters: + - name: Mark C. Miller + affiliation: Lawrence Livermore National Laboratory + github-id: markcmiller86 + bio: "Mark Miller is a computer scientist supporting the +WSC +program at LLNL since 1995. Among other +things, he contributes to +VisIt, +Silo, +HDF5 and +IDEAS-ECP. Mark has a +passion for technology through history." +# +webinar-id: 31 +date: 2019-07-17T13:00-0400 +title: "When 100 FLOPS/Watt was a Giant Leap: The Apollo Guidance Computer Hardware, Software And Application In Moon Missions" +presenter-ids: [miller-mark] +artifacts: + - label: Recording + format: YouTube + yt-video-id: JcMTR0-bMqQ + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar031-Apollo50th.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar031-Apollo50th-qa.pdf +# +location: online +# +--- +Commemorating the 50th Anniversary of the Apollo Moon landings, this +webinar will describe the revolutionary computer, the Apollo Guidance +Computer (AGC). The AGC made autonomous travel to the Moon and back +not only possible but added profoundly to crew safety, flight profile +accuracy and even optimized propellant use to such an extent that +final missions plans traded fuel for added weight in equipment and +lunar samples. The webinar will give an overview of the AGC hardware +architecture, the guidance software it executed as well as the +pioneering efforts in developing both. HPC/CSE code teams will +discover many familiar themes such as flops/watt power constraints and +performance portability challenges. The webinar will conclude with +several user stories about the actual operation of the AGC in various +Apollo missions. diff --git a/_events-draft/hpcbp-032-managementplans.md b/_events-draft/hpcbp-032-managementplans.md new file mode 100644 index 0000000..d553fb2 --- /dev/null +++ b/_events-draft/hpcbp-032-managementplans.md @@ -0,0 +1,68 @@ +--- +startdate: "2019-08-14" +time: "12:00 pm - 01:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar032 +# +presenters: + - name: Shoaib Sufi + affiliation: Software Sustainability Institute + github-id: shoaibsufi + bio: "Shoaib Sufi leads the Software +Sustainability Institute’s community engagement activities and +strategies. Graduating in Computer Science from the University of +Manchester in 1997, he has worked in the commercial sector as a +systems programmer and then as a software developer, metadata +architect and eventually a project manager at the Science and +Facilities Technologies Council (STFC). +Shoaib has specific interest in building, managing and sustaining +high-performance teams, distributed agile project management and the +promotion of technical best practice in software products for use in +research. He is a project manager by practice and training (holding a +PMI PMP), and also serves in this capacity with the eScience Lab at +the University of Manchester. +His work at the Institute includes coordinating its Fellowship +Programme, a network of researchers who act as ambassadors of better +research software practice to their domains and organisations by +organising workshops related to research software and attending +relevant workshops and conferences in their areas of work. Shoaib also +leads the Institute’s annual Collaborations Workshop(CW) which brings +together researchers, developers, funders, managers and more to +explore hot topics in research software all within an engaging +unconference inspired format." +# +webinar-id: 32 +date: 2019-08-14T12:00-0400 +title: "Software Management Plans in Research Projects" +presenter-ids: [sufi-shoaib] +artifacts: + - label: Recording + format: YouTube + yt-video-id: YlEnDkJtdMs + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar032-managementplans.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar032-managementplans-qa.pdf +# +location: online +# +--- +Software is a necessary by-product of research. Software in this +context can range from small shell scripts to complex and layered +software ecosystems. Dealing with software as a first class citizen at +the time of grant formulation is aided by the development of a +Software Management Plan (SMP). An SMP can help to formalize a set of +structures and goals that ensure your software is accessible and +reusable in the short, medium and long term. SMP’s aim at becoming for +software what Data Management Plans (DMP’s) have become for research +data (DMP’s are mandatory for National Science Foundation +grants). This webinar takes you through the questions you should +consider when developing a Software Management Plan, how to manage the +implementation of the plan, and some of the current motivation driving +discussion in this area of research management. diff --git a/_events-draft/hpcbp-033-socialchallenges.md b/_events-draft/hpcbp-033-socialchallenges.md new file mode 100644 index 0000000..843691d --- /dev/null +++ b/_events-draft/hpcbp-033-socialchallenges.md @@ -0,0 +1,64 @@ +--- +startdate: "2019-09-11" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar033 +# +presenters: + - name: Rene Gassmoeller + affiliation: UC Davis + github-id: gassmoeller + bio: "Rene Gassmoeller is Project Scientist at +the Computational Infrastructure for Geodynamics at the University of +California, Davis. His research focuses on the interaction between +mantle convection and plate tectonic processes, numerical methods for +geodynamic modeling, and sustainable software development in the Earth +Sciences. He received a Ph.D. in Geophysics from Potsdam University in +cooperation with the German Research Centre for Geosciences." +# +webinar-id: 33 +date: 2019-09-11T13:00-0400 +title: "Discovering and Addressing Social Challenges in the Evolution of Scientific Software Projects" +presenter-ids: [gassmoeller-rene] +ecp-abbreviation: scssp +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=eb087218399f983f4dba6fb3150d35cf1 +vtc-session: "905 620 973" +vtc-password: "ideas" +qa-public-url: http://bit.ly/IDEAS-SCSSP +survey-public-url: http://bit.ly/IDEAS-SCSSP-survey +artifacts: + - label: Recording + format: YouTube + yt-video-id: XrjtdlOmmf8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar033-social-challenges-updated.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar033-socialchallenges-qa.pdf +# +location: online +# +--- +In recent years scientific software projects have increasingly +incorporated state-of-the-art technical best practices like continuous +integration into their development cycle. However, many projects still +struggle to create and maintain an active and welcoming user/developer +community, and there exists little documentation on what makes a +scientific software community successful. In this webinar I will +introduce my work — as a Better Scientific Software Fellow — to +collect typical social challenges and potential solutions that arise +during the evolution of a scientific software project. Aimed at +current and prospective software maintainers and community leaders, I +will discuss topics such as building and maintaining a welcoming +community atmosphere, overcoming skepticism of sharing science and +software, mediating between users working on conflicting topics or +publications, and providing credit and growth opportunities for +community members. Finally, I hope to initiate a conversation among +project and community leaders about what makes communities successful +so that we can learn from each other and improve scientific software +development together. diff --git a/_events-draft/hpcbp-034-FPAnalysis.md b/_events-draft/hpcbp-034-FPAnalysis.md new file mode 100644 index 0000000..eda09d7 --- /dev/null +++ b/_events-draft/hpcbp-034-FPAnalysis.md @@ -0,0 +1,66 @@ +--- +startdate: "2019-10-16" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar034 +# +presenters: + - name: Ignacio Laguna + affiliation: Lawrence Livermore National Laboratory + github-id: ilagunap + bio: "Ignacio Laguna is a Computer Scientist at the +Center for Applied Scientific Computing (CASC) at Lawrence Livermore +National Laboratory (LLNL). His main area of research is +high-performance computing (HPC) and main sub-area of research in HPC +is programing models and systems. He is a 2019 Better Scientific +Software Fellow helping code teams to improve the reliability of +scientific software through analyzing and debugging floating-point +software." +# +webinar-id: 34 +date: 2019-10-16T13:00-0400 +title: "Tools and Techniques for Floating-Point Analysis" +presenter-ids: [laguna-ignacio] +registration-url: https://www.eventbrite.com/e/tools-and-techniques-for-floating-point-analysis-tickets-72265194141 +ecp-abbreviation: fpanalysis +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=e87651bdcd5093ee5f60d5200994777e6 +vtc-session: "904 973 288" +vtc-password: "ideas" +qa-public-url: http://bit.ly/IDEAS-FPAnalysis +survey-public-url: http://bit.ly/IDEAS-FPAnalysis-survey +artifacts: + - label: Recording + format: YouTube + yt-video-id: CCzB1RETSdM + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar034-FPAnalysis.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar034-FPAnalysis-qa.pdf +# +location: online +# +--- +Scientific software is central to the practice of research +computing. While software is widely used in many science and +engineering disciplines to simulate real-world phenomena, developing +accurate and reliable scientific software is notoriously +difficult. One of the most serious difficulties comes from dealing +with floating-point arithmetic to perform numerical +computations. Round-off errors occur and accumulate at all levels of +computation, while compiler optimizations and low-precision arithmetic +can significantly affect the final computational results. With +accelerators such as GPUs dominating high-performance computing +systems, computational scientists are faced with even bigger +challenges, given that ensuring numerical reproducibility in these +systems poses a very difficult problem. This webinar provides +highlights from a half-day tutorial discussing tools that are +available today to analyze floating-point scientific software. We +focus on tools that allow programmers to get insight about how +different aspects of floating-point arithmetic affect their code and +how to fix potential bugs. diff --git a/_events-draft/hpcbp-035-policies.md b/_events-draft/hpcbp-035-policies.md new file mode 100644 index 0000000..fc1a3ae --- /dev/null +++ b/_events-draft/hpcbp-035-policies.md @@ -0,0 +1,76 @@ +--- +startdate: "2019-12-11" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar035 +# +presenters: + - name: Ulrike Meier Yang + affiliation: Lawrence Livermore National Laboratory + github-id: ulrikeyang + bio: "Ulrike Meier Yang leads the Mathematical Algorithms & Computing Group +in the Center for Applied Scientific Computing of Lawrence Livermore +National Laboratory. She leads the xSDK project in DOE’s Exascale +Computing Project and the Linear Solvers topical area in the SciDAC +FASTMath Institute; she is a developer of the software library +hypre. She earned her Ph.D. in computer science from the University of +Illinois at Urbana-Champaign. Her research interests are numerical +algorithms, parallel computing, and scientific software design." + - name: Piotr Luszczek + affiliation: University of Tennessee + github-id: luszczek + bio: "Piotr Luszczek is a research assistant professor at the Innovative +Computing Laboratory in the University of Tennessee. Piotr earned his +Ph.D. in computer science from the University of Tennessee, +Knoxville. His research interests include benchmarking, numerical +linear algebra for high-performance computing, automatic performance +tuning, and stochastic performance models. He has over a decade of +experience developing HPC numerical software for large-scale, +distributed-memory multicore systems with hardware accelerators. Piotr +serves as a co-PI on the ECP xSDK project that aims to improve access +to world-class software on exascale machines." +# +webinar-id: 35 +date: 2019-12-11T13:00-0500 +title: "Building Community through xSDK Software Policies" +#presenter-ids: [yang-ulrikemeier, luszczek-piotr] +presenter-ids: [yang-ulrikemeier, luszczek-piotr] +registration-url: https://www.eventbrite.com/e/building-community-through-xsdk-software-policies-tickets-78632045565 +ecp-abbreviation: software-policies +vtc-url: https://olcf.webex.com/olcf/j.php?MTID=m836a9ceda68eacde80a3618d603c7cb6 +vtc-session: "620 571 202" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey +artifacts: + - label: Recording + format: YouTube + yt-video-id: QRyC92ZsFkM + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar035-softwarepolicies.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar035-softwarepolicies-qa.pdf +# +location: online +# +--- +The development of increasingly complex computer architectures and +software ecosystems continues. Applications that incorporate +multiphysics modeling as well as the coupling of simulation and data +analytics increasingly require the combined use of software packages +developed by diverse, independent teams throughout the HPC +community. The Extreme-scale Scientific Software Development Kit (xSDK) +is being developed to provide coordinated infrastructure for +independent mathematical libraries to support the productive and +efficient development of high-quality applications. This webinar will +discuss the development and impact of xSDK community policies, which +constitute an integral part of the project and have been defined to +achieve improved code quality and compatibility across xSDK member +packages and a sustainable software ecosystem. + diff --git a/_events-draft/hpcbp-036-exaalt.md b/_events-draft/hpcbp-036-exaalt.md new file mode 100644 index 0000000..4170bab --- /dev/null +++ b/_events-draft/hpcbp-036-exaalt.md @@ -0,0 +1,49 @@ +--- +startdate: "2020-01-15" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar036 +# +presenters: + - name: Aidan Thompson + affiliation: Sandia National Laboratories + bio: "Dr. Thompson earned his undergraduate degree in Chemical Engineering at University College, Dublin, Ireland. He earned his Ph.D in Chemical Engineering at the University of Pennsylvania, 1994 in the area of statistical thermodynamics of complex fluids. Since 1997 he has worked in the Center for Computing Research at Sandia National Laboratories, first as a post-doctoral appointee, and since 2002 as principal member of the technical staff. Throughout that time he has worked as one of the core developers of the LAMMPS molecular dynamics code, while at the same time using it to study the atomic-to-mesoscale behavior of a wide variety of materials, described in over 50 publications. In recent years, frustrated with the limited accuracy of classical potentials, he has become a leading developer of machine-learned interatomic potentials fit to large databases of quantum calculations." + - name: Stan Moore + affiliation: Sandia National Laboratories + github-id: stanmoore1 + bio: "Stan Moore is a computational scientist at Sandia National Laboratories specializing in particle-based simulation methods such as molecular dynamics and direct simulation Monte-Carlo. He is a software developer of the LAMMPS and SPARTA codes, and his research currently focuses on extending particle-based codes to use Sandia’s Kokkos performance portability library to run efficiently on next-generation supercomputing platforms. Stan earned a PhD in chemical engineering from Brigham Young University, where his research focused on developing a new method to predict chemical potential using molecular simulations." + - name: Rahulkumar Gayatri + affiliation: National Energy Research Scientific Computing Center + github-id: rgayatri23 + bio: "Rahulkumar (Rahul) Gayatri is an Application Performance Specialist at NERSC, LBNL. He is an HPC engineer and works closely with the application development teams to optimize compute intensive kernels in their code for future generation architectures. He is currently working with the LAMMPS team in the EXAALT ECP project to optimize the SNAP module for NVIDIA GPUs. He is also interested in testing the efficiency of OpenMP target directives as a paradigm to offload kernels onto GPUs. Rahul obtained his PhD in the field of Parallel Programming Models from Barcelona Supercomputing Center. His research focus was on speculative task execution in OMPSs, a task based programming model." +# +webinar-id: 36 +date: 2020-01-15T13:00-0500 +title: "Refactoring EXAALT MD for Emerging Architectures" +presenter-ids: [thompson-aidan, moore-stan, gayatri-rahulkumar] +registration-url: https://www.eventbrite.com/e/refactoring-exaalt-md-for-emerging-architectures-tickets-85789477637 +ecp-abbreviation: exaalt-md +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=e7647cc0f98a8d0edacdd8e79f9c3b997 +vtc-session: "902 755 266" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/36VanMG +artifacts: + - label: Recording + format: YouTube + yt-video-id: esEGFyFkVUc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar036-exaalt.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar036-exaalt-qa.pdf +# +location: online +# +--- +As part of the DOE Exascale Computing Project, members of the EXAALT project are working to increase the accuracy, time, and length scales of molecular dynamics simulations of materials for fusion energy. Simulations rely on the SNAP machine-learning interatomic potential to accurately capture material properties. The SNAP kernel recursively evaluates a set of complex polynomial functions, requiring many deeply nested loops with irregular loop bounds. Last year, a worrisome trend in the SNAP force kernel was identified. With each new generation of emerging architectures, performance relative to theoretical peak was decreasing, particularly on GPUs. This webinar will discuss the approach used to rewrite the SNAP kernel from the ground up, using more compact memory representation, refactoring the main loop, using sub-kernels to reduce pressure on GPU threads, and improving coalesced memory accesses on the GPU. This work has enabled a spectacular increase of roughly 10x in performance over the baseline implementation of the SNAP benchmark running on NVIDIA V100 GPUs. Extrapolated to the full machine, this predicts an increase of over 100x in the Figure of Merit over the baseline on the ALCF/Mira system, putting EXAALT on track to meeting, and even exceeding performance targets on exascale systems. The webinar will emphasize key strategies and lessons learned in code transitions for emerging architectures. diff --git a/_events-draft/hpcbp-037-kokkos.md b/_events-draft/hpcbp-037-kokkos.md new file mode 100644 index 0000000..d6009ed --- /dev/null +++ b/_events-draft/hpcbp-037-kokkos.md @@ -0,0 +1,42 @@ +--- +startdate: "2020-02-19" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar037 +# +presenters: + - name: Christian Trott + affiliation: Sandia National Laboratories + github-id: crtrott + bio: "Christian Trott is a high performance computing expert with extensive experience designing and implementing software for modern HPC systems. He is a principal member of staff at Sandia National Laboratories, where he leads the Kokkos core team developing the performance portability programming model for C++ and heads Sandia’s delegation to the ISO C++ standards committee. He also serves as adviser to numerous application teams, helping them redesign their codes using Kokkos and achieve performance portability for the next generation of supercomputers. Christian is a regular contributor to numerous scientific software projects including LAMMPS and Trilinos. He earned a doctorate from the University of Technology Ilmenau in theoretical physics with a focus on computational material research." +# +webinar-id: 37 +date: 2020-02-19T13:00-0500 +title: "Introduction to Kokkos" +presenter-ids: [trott-christian] +registration-url: https://www.eventbrite.com/e/introduction-to-kokkos-tickets-89926768385 +ecp-abbreviation: introduction-to-kokkos +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=e9ed3970829c0b091f578b03712baf396 +vtc-session: "907 872 373" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-Kokkos-survey +artifacts: + - label: Recording + format: YouTube + yt-video-id: MSQ-9UE5Wh4 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar037-kokkos.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar037-kokkos-qa.pdf +# +location: online +# +--- +The Kokkos C++ Performance Portability Ecosystem is a production-level solution for writing modern C++ applications in an hardware-agnostic way. It is part of the US Department of Energy’s Exascale Computing Project—the leading effort in the US to prepare the HPC community for the next generation of supercomputing platforms. Kokkos is now used by more than a hundred HPC projects, and Kokkos-based codes are running regularly at-scale on at least five of the top ten supercomputers in the world. In this webinar, we will give a short overview of what the Kokkos Ecosystem provides, including its programming model, math kernels library, tools, and training resources, before providing an overview of the Kokkos team’s efforts surrounding the ISO-C++ standard, and how Kokkos both influences future standards and aligns with developments occurring in them. The webinar will include a status update on the progress in supporting the upcoming exascale class HPC systems announced by DOE. diff --git a/_events-draft/hpcbp-038-testing.md b/_events-draft/hpcbp-038-testing.md new file mode 100644 index 0000000..96238ad --- /dev/null +++ b/_events-draft/hpcbp-038-testing.md @@ -0,0 +1,42 @@ +--- +startdate: "2020-03-18" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar038 +# +presenters: + - name: Balint Joo + affiliation: Jefferson Lab + github-id: bjoo + bio: "Balint Joo got his B. Sc. in Computer Science and Physics in 1996 and his PhD in Theoretical Physics in 2000, both at the University of Edinburgh. Since then he has been working in the area of numerical lattice QCD calculations, with post doctoral positions at the University of Kentucky working on Monte Carlo algorithms, at Columbia University and the University of Edinburgh as part of the design team for the QCDOC supercomputer, and back at the University of Edinburgh where he worked with solvers for Chiral Fermions and got involved with the QDP++ and Chroma software packages. He has been a Staff Computer Scientist at Jefferson Lab since 2005, where his work includes maintaining and developing Chroma and porting and optimizing it for new architectures. He has been working closely with NVIDIA on the QUDA library and more recently with Intel on code for Xeon and Xeon Phi. He is also a computer user running lattice QCD calculations on a number of DOE and NSF centers including Titan at OLCF, BlueWaters at NCSA and Stampede at TACC." +# +webinar-id: 38 +date: 2020-03-18T13:00-0400 +title: "Testing: Strategies When Learning Programming Models and Using High-Performance Libraries" +presenter-ids: [joo-balint] +registration-url: https://www.eventbrite.com/e/testing-strategies-tickets-95526876459 +ecp-abbreviation: testingstrategies +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=ec0e0996c6c32b9e63ffe51f5f6a55842 +vtc-session: "907 360 006" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://bit.ly/3d4BIj7 +artifacts: + - label: Recording + format: YouTube + yt-video-id: qreXJq2fwB8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar038-testingstrategies.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar038-testingstrategies-qa.pdf +# +location: online +# +--- +Software testing is an invaluable practice, albeit the level of testing in scientific applications can vary widely, from no testing at all to full continuous integration (as discussed in earlier webinars of the HPC-BP series). In this webinar I will consider a specific case: the use of unit-testing when developing a mini-app as an approach to learn about new programming models such as Kokkos and SYCL, or when using (or contributing to) high-performance libraries. I will illustrate with an example from Lattice QCD, focusing on the integration of the QUDA optimized library with the Chroma application. The webinar will focus on lessons learned and generally applicable strategies. diff --git a/_events-draft/hpcbp-039-bp4proxyapps.md b/_events-draft/hpcbp-039-bp4proxyapps.md new file mode 100644 index 0000000..6c6f5e9 --- /dev/null +++ b/_events-draft/hpcbp-039-bp4proxyapps.md @@ -0,0 +1,45 @@ +--- +startdate: "2020-04-15" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar039 +# +presenters: + - name: David Richards + affiliation: Lawrence Livermore National Laboratory + github-id: richards12 + bio: "David Richards is a computational physicist in the Center for Applied Scientific Computing at Lawrence Livermore National Laboratory. Drawing upon extensive experience designing scientific simulation codes, David leads the Advanced Architecture and Portability Specialists (AAPS) team and is the PI for the ECP Proxy App Project. He is a winner of both the IEEE/ACM Gordon Bell Award (2007) and the R&D 100 award (2013). David holds a B.S. in Physics from Harvey Mudd College and a Ph.D. in Physics from the University of Illinois at Urbana-Champaign." + - name: Joe Glenski + affiliation: Hewlett-Packard Enterprise + bio: "Joe Glenski is an experienced technical expert on High Performance Computing architectures and performance, with broad system knowledge and deep technical understanding of the ways HPC systems provide unmatched performance to advance science. He has led technical work for HPE, Cray, and SGI for major procurements, critical system acceptances, and new product bring-up. Joe is currently the CORAL-2 Performance Lead for HPE, guiding the performance and benchmarking activities for the “Frontier” system at Oak Ridge National Laboratory and the “El Capitan” system at Lawrence Livermore National Laboratory." +# +webinar-id: 39 +date: 2020-04-15T13:00-0400 +title: "Best Practices for Using Proxy Applications as Benchmarks" +presenter-ids: [richards-david, glenski-joe] +registration-url: https://www.eventbrite.com/e/best-practices-for-using-proxy-applications-as-benchmarks-tickets-99267956129 +ecp-abbreviation: bp4proxyapps +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=ef45a15cae1fedbf5da996bde90d3d9d0 +vtc-session: "905 030 423" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/B7CJV59 +artifacts: + - label: Recording + format: YouTube + yt-video-id: JpdvGz-2LKI + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar039-bpproxyapps.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar039-bpproxyapps-qa.pdf +# +location: online +# +--- +Proxy applications have many uses in software development and hardware/software co-design. Because most proxies are easy to build, run, and understand, they are especially appealing for use in benchmark suites and studies. This webinar will examine the role of proxy apps as benchmarks and explain why run rules and a figure of merit are essential for a proxy application to function as an effective benchmark. We will show how to evaluate the fidelity of benchmarks as a model for actual workloads and provide tips on creating problem specifications and other run rules. We will discuss what DOE facilities are looking for when they assemble benchmark suites for use in procurements. Finally, we will explain how system vendors use our benchmark suites and what practices they view as most (and least) effective. diff --git a/_events-draft/hpcbp-040-mixedprecision.md b/_events-draft/hpcbp-040-mixedprecision.md new file mode 100644 index 0000000..df3cf52 --- /dev/null +++ b/_events-draft/hpcbp-040-mixedprecision.md @@ -0,0 +1,46 @@ +--- +startdate: "2020-05-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar040 +# +presenters: + - name: Hartwig Anzt + affiliation: Karlsruhe Institute of Technology + github-id: hartwiganzt + bio: "Hartwig Anzt is a Helmholtz-Young-Investigator Group leader at the Steinbuch Centre for Computing at the Karlsruhe Institute of Technology. He obtained his PhD in Mathematics at the KIT, and afterwards joined Jack Dongarra’s Innovative Comp. Lab at the U. of Tennessee in 2013. Since 2015 he also holds a Senior Research Scientist position at the U. of Tennessee. He teaches HPC numerics and related topics, including a course on Scientific Computing at the Taiwan National University. In 2017, he contributed to the ISC tutorial on Num. Linear Algebra. Hartwig has a long track record of high-quality software development. He is author of the MAGMA-sparse open source software package managing lead and developer of the Ginkgo numerical linear algebra library, and part of the US Exascale Computing Project (ECP) delivering production-ready numerical linear algebra libraries. Recently, Hartwig Anzt was appointed the PI of the ECP multiprecision effort focusing on the development of multiprecision numerics for Exascale computing." + - name: Piotr Luszczek + affiliation: University of Tennessee + github-id: luszczek + bio: "Piotr Luszczek is a Research Assistant Professor in the Tickle College of Engineering at the University of Tennessee and a member of the Innovative Computing Laboratory with a long record of research and software development spanning benchmarking, numerical linear algebra for high-performance computing, automatic performance tuning for hardware accelerators, and stochastic models for performance. His mixed-precision work goes back over 15 years to a new look at mixed-precision iterative refinement that is now implemented in modern numerical linear algebra libraries. He contributed to inner-outer iteration research that also exploited performance of lower-precision floating-point arithmetic. More recently, he used autotuning across multiple precisions and introduced a new factorization algorithm with scaling that maintains improved accuracy for reduced-precision computations. Currently, Piotr serves as a co-PI for the Exascale Computing Project (ECP) xSDK project that has as one of its main thrusts the goal of introducing mixed-precision approaches to the world-class software of the Exascale machines." +# +webinar-id: 40 +date: 2020-05-13T13:00-0400 +title: "Accelerating Numerical Software Libraries with Multi-Precision Algorithms" +presenter-ids: [anzt-hartwig, luszczek-piotr] +registration-url: https://www.eventbrite.com/e/accelerating-numerical-software-libraries-with-multi-precision-algorithms-tickets-102390859818 +ecp-abbreviation: multiprec +vtc-url: https://ecptr.webex.com/ecptr/onstage/g.php?MTID=e0254d53f321a359f5b7cd34dc0fe0da9 +vtc-session: "901 351 396" +vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/WHFWHWQ/ +artifacts: + - label: Recording + format: YouTube + yt-video-id: sgRtwJhVFog + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar040-mixedprecision.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar040-multiprecision-QA.pdf +# +location: online +# +--- +With the rise of machine learning, more hardware manufacturers are introducing low-precision special function units in processor designs, often achieving up to an order or magnitude higher performance than in the IEEE double precision that is typically used as working precision in scientific computing. At the same time, a rapidly expanding landscape of mixed- and multi-precision methods generate high-quality solutions that leverage the higher compute power of reduced precision. This webinar will introduce the concept of floating point formats and the IEEE standard. We will demonstrate how using an iterative or direct solver in lower precision impacts the solution quality. We will outline several strategies that aim to preserve numerical stability and high solution quality while still computing, at least partially, in lower precision. We will present several multi-precision algorithms that have proven particularly successful and elaborate on their realization and usage. We also will introduce open source production-quality multi-precision software packages and show their integration and efficiency for scientific applications. The webinar will focus on lessons learned and generally applicable strategies. diff --git a/_events-draft/hpcbp-041-sycl.md b/_events-draft/hpcbp-041-sycl.md new file mode 100644 index 0000000..e149956 --- /dev/null +++ b/_events-draft/hpcbp-041-sycl.md @@ -0,0 +1,42 @@ +--- +startdate: "2020-06-17" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar041 +# +presenters: + - name: Thomas Applencourt + affiliation: Argonne National Laboratory + github-id: TApplencourt + bio: "Thomas Applencourt is an Assistant Computational Scientist at Argonne National Laboratory interested in HPC. He is working now on Aurora, the first exascale US system that will be delivered in 2021. He is interested in various programming models (OpenMP, SYCL) and low-level programming." +# +webinar-id: 41 +date: 2020-06-17T13:00-0400 +title: "SYCL – Introduction and Best Practices" +presenter-ids: [applencourt-thomas] +registration-url: https://www.eventbrite.com/e/sycl-introduction-and-best-practices-tickets-104559777108 +ecp-abbreviation: introduction-to-sycl +vtc-url: https://exascaleproject.zoomgov.com/j/1614280599 +vtc-session: "161 428 0599" +#vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/838D52F +artifacts: + - label: Recording + format: YouTube + yt-video-id: TbkrODiVDQY + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar041-sycl.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar041-sycl-qa.pdf +# +location: online +# +--- +SYCL is a single-source heterogeneous programming model based on standard C++. It uses C++ templates and lambda functions for host and device code. SYCL builds on the underlying concepts of portability and efficiency of OpenCL that enable code for heterogeneous processors; however, it is less verbose than OpenCL. The single-source programming enables the host and kernel code for an application to be contained in the same source file, in a type-safe way and with the simplicity of a cross-platform asynchronous task graph. We will provide an overview of the SYCL concepts, compilation, and runtime. No prior knowledge of OpenCL is required for this webinar. Once we have reviewed the core concepts of SYCL, we will walk through several code examples to highlight its key features and illustrate best practices. SYCL by design is hardware agnostic and offers the potential to be portable across many of DOE’s largest machines. diff --git a/_events-draft/hpcbp-042-what-is-new-in-spack.md b/_events-draft/hpcbp-042-what-is-new-in-spack.md new file mode 100644 index 0000000..4a0520f --- /dev/null +++ b/_events-draft/hpcbp-042-what-is-new-in-spack.md @@ -0,0 +1,45 @@ +--- +startdate: "2020-07-15" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar042 +# +presenters: + - name: Todd Gamblin + affiliation: Lawrence Livermore National Laboratory + github-id: tgamblin + bio: "Todd Gamblin is a Computer Scientist in the Advanced Technology Office in Livermore Computing at Lawrence Livermore National Laboratory. His research focuses on scalable tools for measuring, analyzing, and visualizing parallel performance data. In addition to his research, Todd leads LLNL’s DevRAMP (Reproducibility, Analysis, Monitoring, and Performance) team and the Software Packaging Technologies project in the U.S. Exascale Computing Project. He created Spack, a popular open source HPC package management tool with a community of over 500 contributors. +Todd has been at LLNL since 2008. He received the Early Career Research Award from the U.S. Department of Energy in 2014. He received Ph.D. and M.S. degrees in Computer Science from the University of North Carolina at Chapel Hill in 2009 and 2005, and his B.A. in Computer Science and Japanese from Williams College in 2002." +# +webinar-id: 42 +date: 2020-07-15T13:00-0400 +title: "What’s New in Spack?" +presenter-ids: [gamblin-todd] +registration-url: https://www.eventbrite.com/e/what-is-new-in-spack-tickets-108772748218 +ecp-abbreviation: what-is-new-in-spack +vtc-url: https://exascaleproject.zoomgov.com/j/1611896317 +vtc-session: "161 189 6317" +#vtc-password: "ideas" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/FLVHM7T +artifacts: + - label: Recording + format: YouTube + yt-video-id: 4VgdwL01ClM + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar043-spack.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar043-spack-qa.pdf +# +location: online +# +--- +Spack is a package manager for scientific computing, with a rapidly growing open source community. With over 500 contributors from academia, industry, and government laboratories, Spack has a wide range of use cases, from small-scale development on laptops and clusters, to software release management for the U.S. Exascale Computing Project, to user software deployment on 6 of the top 10 supercomputer sites in the world. + +Spack isn’t just for facilities, though! As a package manager, Spack is in a powerful position to impact DevOps and daily software development workflows. Spack has virtual environments that enable the “manifest and lock” model popularized by more mainstream dependency management tools. New releases of Spack include direct support for creating containers and gitlab CI pipelines for building environments. This webinar will cover new features as well as the near- and long-term roadmap for Spack. diff --git a/_events-draft/hpcbp-043-sciviscolor.md b/_events-draft/hpcbp-043-sciviscolor.md new file mode 100644 index 0000000..b6a5d22 --- /dev/null +++ b/_events-draft/hpcbp-043-sciviscolor.md @@ -0,0 +1,47 @@ +--- +startdate: "2020-08-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar043 +# +presenters: + - name: Francesca Samsel + affiliation: Texas Advanced Computing Center + github-id: figs512 + bio: "Francesca Samsel, trained as an artist, is a Research Scientist at the Texas Advanced Computing Center, University of Texas at Austin focusing on multidisciplinary collaborations with visualization teams and domain scientists +Her research investigates applying artistic approaches and expertise to real-world visualization challenges. A regular collaborator with the Data Science at Scale and Climate, Ocean Sea Ice, Modeling teams at Los Alamos National Laboratory, she also works closely with the Interactive Visualization Lab at the University of Minnesota, focusing strategies and tools to assist scientists in extracting a greater depth of knowledge from their data and communicating more effectively to their peers and affectively to the public. +Visualization collaborations have been recognized by multiple Best Scientific Visualization and Data Analytics Awards at Supercomputing and over 40 publications. As Co-Editor of Art on Graphics, IEEE Computer Graphics and Applications she promotes work that demonstrates the value melding of art, science and technology. Funded by the NSF and DOE, she is a regular presenter at conferences across disciplines including AGU Fall Meeting, IEEE Vis, SIG CHI, Euro Graphics and the College Art Association. She holds a BFA from the California College of Arts and an MFA from the University of Washington." +# +webinar-id: 43 +date: 2020-08-12T13:00-0400 +title: "Colormapping Strategies for Large Multivariate Data in Scientific Applications" +presenter-ids: [samsel-francesca] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsdeuoqD4tGcoqaoIMBNOYZ6aZGhO9zRQ +ecp-abbreviation: sciviscolor +vtc-url: https://exascaleproject.zoomgov.com/s/1612206573 +vtc-session: "161 220 6573" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/8MVC5Q6 +artifacts: + - label: Recording + format: YouTube + yt-video-id: _vI5cnoWn-I + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar043-sciviscolor-reduced.pdf +# - label: Q&A +# format: PDF +# url: +# +location: online +# +--- +In order for scientific visualizations to effectively convey insights of computationally-driven research, as well as to better engage the public in science, visualizations must effectively and affectively facilitate the exploration of information. The presenter and her team employ a transdisciplinary approach, that includes insights from artistic color theory, perceptual science, the visualization community, and domain scientists, to move beyond basic default colormaps. While color has always been utilized and studied as a component of scientific data visualization, it has been demonstrated that its full potential for discovery and communication of scientific data remains untapped. + +The webinar will discuss how effective color use can reveal structures, relationships, and hierarchies between variables within a visualization, as well as practical strategies and workflows for tailor color application to the goals of the visualization. The presenter’s work is documented and freely available for use at SciVisColor.org, a hub for research and resources related to color in scientific visualization. SciVisColor provides tools and strategies that allow scientists to use color as a tool to better understand and communicate their data. Users can explore and download colormaps, color sets, and ColorMoves an interactive interface for using color in scientific visualization above. + +The webinar will introduce concepts that can help developers make design decisions when writing simulation codes, to make better use of scientific visualization tools and visualize results more effectively. diff --git a/_events-draft/hpcbp-044-testingpractices.md b/_events-draft/hpcbp-044-testingpractices.md new file mode 100644 index 0000000..f9a124b --- /dev/null +++ b/_events-draft/hpcbp-044-testingpractices.md @@ -0,0 +1,40 @@ +--- +startdate: "2020-09-09" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar044 +# +presenters: + - name: Nasir Eisty + affiliation: California Polytechnic State University, San Luis Obispo + bio: "Nasir Eisty is an assistant professor in the Computer Science and Software Engineering Department of California Polytechnic State University, San Luis, Obispo, CA. He received his Ph.D. degree in Computer Science from the University of Alabama in Spring 2020. His research interests lie in the area of Empirical Software Engineering, Software Quality, and Research Software Engineering. Dr. Eisty has prior experience working at the Los Alamos National Lab (LANL) and National Center for Supercomputing Applications (NCSA). He also has experience in presenting tutorials and organizing workshops at different conferences. He received a BSSw (Better Scientific Software) 2020 fellow award from the Department of Energy (DOE)." +# +webinar-id: 44 +date: 2020-09-09T13:00-0400 +title: "Testing and Code Review Practices in Research Software Development" +presenter-ids: [eisty-nasir] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIscu-rpz8tHSl-MeswznBzjweQ4c9fR2s +ecp-abbreviation: testing-and-code-review +vtc-url: https://exascaleproject.zoomgov.com/s/1615639477 +vtc-session: "161 563 9477" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: https://www.surveymonkey.com/r/5GYJR5K +artifacts: + - label: Recording + format: YouTube + yt-video-id: Q6TKzzbUR0U + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar044-testingandreview.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar044-testingand-review-qa.pdf +# +location: online +# +--- +Software quality in a research context is essential because research software is used in mission-critical situations, decision making, and computation of evidence for research publications. This webinar will cover the use of two software quality practices in the development of research software: software testing and peer code review. These practices in software development can lead to both improved scientific results through higher quality software in the short term and more maintainable software in the long term. While these practices are essential for any type of software, developers of research software typically do not use peer code review and software testing as frequently as they could for maximum impact. The presenter will discuss the motivation, challenges, barriers, and necessary improvements to make the practices effective for research software development, based on studies of the research software community conducted via interviews, surveys, workshops, and tutorials. diff --git a/_events-draft/hpcbp-045-precisiontuning.md b/_events-draft/hpcbp-045-precisiontuning.md new file mode 100644 index 0000000..a14ccca --- /dev/null +++ b/_events-draft/hpcbp-045-precisiontuning.md @@ -0,0 +1,41 @@ +--- +startdate: "2020-10-14" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar045 +# +presenters: + - name: Cindy Rubio-Gonzalez + affiliation: University of California, Davis + github-id: crubiog + bio: "Cindy Rubio-Gonzalez is an Associate Professor of Computer Science at the University of California, Davis. Prior to joining UC Davis, she was a Postdoctoral Researcher in the EECS Department at the University of California, Berkeley. She received her Ph.D. in Computer Science from the University of Wisconsin–Madison in 2012. Dr. Rubio’s work spans the areas of Programming Languages and Software Engineering, with a focus on program analysis for automated bug finding and program optimization. She is particularly interested in the reliability and performance of systems software and scientific computing applications. Dr. Rubio is a Better Scientific Software Fellow 2020, and a recipient of a DOE Early Career Award 2019, an NSF CAREER award 2018, a Hellman Fellowship 2017, and a UC Davis CAMPOS Faculty Award 2014. Dr. Rubio earned her M.S. in Computer Science from the University of Wisconsin–Milwaukee and her B.S. in Computer Engineering from Saltillo Institute of Technology (Mexico). She also holds a B.M. in Piano Performance from the Autonomous University of Coahuila (Mexico)." +# +webinar-id: 45 +date: 2020-10-14T13:00-0400 +title: "Scalable Precision Tuning of Numerical Software" +presenter-ids: [rubiogonzalez-cindy] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsfuGoqDkjGLi_8sVyWQSFEsaXHEL6EM4 +ecp-abbreviation: scalableprecisiontuning +vtc-url: https://exascaleproject.zoomgov.com/w/1619806292?tk=U_HMP3itheXTfY-g4GfeKYMU6NVHNVKVpN-DhvNIshk.DQIAAAAAYIxIVBZRRkw3RHA0S1FsT01qcjBkcW56cnBRAAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 980 6292" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-201014 +artifacts: + - label: Recording + format: YouTube + yt-video-id: jm4zCqjA2Z0 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar045-precisiontuning.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar045-precisiontuning-qa.pdf +# +location: online +# +--- +The use of numerical software has grown rapidly over the past few years, providing the foundation for a large variety of applications including scientific software and machine learning. Given the variety of numerical errors that can occur, floating-point programs are difficult to write, test and debug. One common practice among developers is to use the highest available precision when allocating variables. While more robust, this can degrade program performance significantly. This webinar describes our research on developing tools to assist programmers in tuning the precision of their floating-point programs. These tools conduct a data-driven approach to search over the types of floating-point variables to lower their precision subject to accuracy constraints and performance goals. In the last part of the webinar, I will discuss challenges and opportunities for scalable precision tuning of large HPC applications. diff --git a/_events-draft/hpcbp-046-reducingtechnicaldebt.md b/_events-draft/hpcbp-046-reducingtechnicaldebt.md new file mode 100644 index 0000000..734bb84 --- /dev/null +++ b/_events-draft/hpcbp-046-reducingtechnicaldebt.md @@ -0,0 +1,43 @@ +--- +startdate: "2020-11-04" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar046 +# +presenters: + - name: Tanu Malik + affiliation: DePaul University + github-id: TanuMalik + bio: "Tanu Malik is an assistant professor in the School of Computing, DePaul University. At DePaul, she directs the Data Systems and Optimization Lab. Her research interests span topics in data provenance, database systems, distributed systems, and cyber-infrastructure for scientific data management. Her group is currently developing methods and systems for improving conduct of reproducible science in computational and data science disciplines. Tanu received the 2019 NSF CAREER award for her work on computational reproducibility. She is also a 2019 Better Scientific Software Fellow. Tanu has actively collaborated with scientists across several institutions. Her research is funded by the National Science Foundation, the Department of Energy, the Sloan Foundation, and the Bloomberg Foundation. Tanu received her PhD in Computer Science from the Johns Hopkins University and she previously worked as a Research Associate Scientist at The University of Chicago." +# +webinar-id: 46 +date: 2020-11-04T13:00-0500 +title: "Reducing Technical Debt with Reproducible Containers" +presenter-ids: [malik-tanu] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsf-qsrzoiG_wS4H6BK9I1bFC0l4NzWO0 +ecp-abbreviation: reducingtechnicaldebt/ +vtc-url: https://exascaleproject.zoomgov.com/w/1618341181?tk=ZFAFOi1k_AtGIDIt7R6DvQfyfv5IKxYQYmadoVAxPBk.DQIAAAAAYHXtPRZrbk1TRnZMRVQzV0ZoM2JjMDN0ZzdBAAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 834 1181" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-201104 +artifacts: + - label: Recording + format: YouTube + yt-video-id: RDrZBKs7esg + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar046-technicaldebt.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar046-technicaldebit-qa.pdf +# +location: online +# +--- +Computational experiments can be challenging to reproduce; researchers have to choose between pursuing a fast-paced research agenda and developing well-organized, sufficiently documented, and easily reproducible software. Like incurring fiscal debt, there are often tactical reasons to take on technical debt in scientific software—such as deferring documentation, organization, refactoring, and unit tests when pursuing a new idea or meeting a conference deadline. However, more often than not, researchers do not repay this technical debt, leading to irreproducible experiments. + +The webinar will describe different levels of technical debt and quantify the cost of not repaying the technical debt. The presenter will introduce isolation in containers as a powerful mechanism for reducing portability debt and describe limitations of current container tools. The presenter will introduce a vision of a reproducible container that aims to automate repayment of different types of technical debt, and will describe the current state of this vision with three tools that use isolation, encapsulation, and monitoring to include necessary and sufficient content in the container—both in terms of software and data, and describe the contents of the container. Finally, the presenter will show results of using reproducible containers on domain science and HPC use cases, and provide guidance. diff --git a/_events-draft/hpcbp-047-softwaredesign.md b/_events-draft/hpcbp-047-softwaredesign.md new file mode 100644 index 0000000..76f8ac2 --- /dev/null +++ b/_events-draft/hpcbp-047-softwaredesign.md @@ -0,0 +1,42 @@ +--- +startdate: "2020-12-09" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" + - "Performance Portability & ECP" +activities: + - "IDEAS-ECP" +link-id: webinar047 +# +presenters: + - name: Anshu Dubey + affiliation: Argonne National Laboratory + github-id: adubey64 + bio: "Anshu Dubey is a Computer Scientist in the Mathematics and Computer Science Division at Argonne National Laboratory and a Senior Scientist in the Department of Computer Science at the University of Chicago. She is the chief software architect for FLASH, a multiphysics multiscale HPC software that is used by several science and engineering domains as their community code. She is interested in all aspects of HPC scientific software with special emphasis on design, productivity, and sustainability issues." +# +webinar-id: 47 +date: 2020-12-09T13:00-0500 +title: "Software Design for Longevity with Performance Portability" +presenter-ids: [dubey-anshu] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsf-CgqDwvE-qCex26LYy1YwhOEkhxHCE +ecp-abbreviation: softwaredesign +vtc-url: https://exascaleproject.zoomgov.com/w/1618986759?tk=PgunFqPHJ1Yh2bNgxb77zqidtgsPCdc3y1U0vAt4Z9s.DQIAAAAAYH_HBxZMZTVaYUo0QlFrbVNpRkxNUjVNOTdRAAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 898 6759" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-201209 +artifacts: + - label: Recording + format: YouTube + yt-video-id: rxKqaK5ud5w + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar047-softwaredesign.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar047-softwaredesign-qa.pdf +# +location: online +# +--- +In the era of simultaneously increasing heterogeneity in hardware and application software, the topics of performance portability and longevity may seem at cross purposes. Key to achieving either objective individually is software design. Achieving both simultaneously is a much harder challenge, yet, in today’s scientific computing landscape neither objective can be ignored. Questions that science is posing to computation are more complex, which imply greater investment in building science capabilities in the software, and therefore longevity is important. Those questions need more capable hardware, which can be obtained only through evermore heterogeneous platforms. This webinar will present a few basic principles of scientific software design that have been instrumental in mitigating some of the challenges that applications developers are facing. These principles represent a combination of experience from the presenter’s own project and from the Exascale Computing Project Performance Portability Panel Series that took place during summer of 2020. diff --git a/_events-draft/hpcbp-048-e4s.md b/_events-draft/hpcbp-048-e4s.md new file mode 100644 index 0000000..82a418a --- /dev/null +++ b/_events-draft/hpcbp-048-e4s.md @@ -0,0 +1,50 @@ +--- +startdate: "2021-01-13" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar048 +# +presenters: + - name: Sameer Shende + affiliation: University of Oregon, ParaTools + github-id: sameershende + bio: "Dr. Sameer Shende has helped develop the TAU Performance System, the Program Database Toolkit (PDT), the Extreme-scale Scientific Software Stack (E4S) and the HPCLinux distro. His research interests include tools and techniques for performance instrumentation, measurement, analysis, runtime systems, HPC container runtimes, scientific software stacks, and compiler optimizations. He serves as a Research Associate Professor and the Director of the Performance Research Laboratory at the University of Oregon, and as the President and Director of ParaTools, Inc., ParaTools, SAS, and ParaTools, Ltd." + - name: David Honegger Rogers + affiliation: Los Alamos National Laboratory + github-id: dhrogers + bio: "David Honegger Rogers is team lead for the Data Science at Scale team at Los Alamos National Lab. He has worked at LANL since 2013, after a decade of leading the Scalable Analysis and Visualization Team at Sandia National Labs, where he was instrumental in bringing in-situ analysis and visualization into production. He now focuses on interactive analysis tools that integrate design, scalable analytics and principles of cognitive science to promote scientific discovery. Prior to working on large scale data analysis, David worked at DreamWorks Feature animation, writing and managing production software. He has degrees in Computer Science, Architecture (buildings, not computers), and an MFA in Writing for Children." +# +webinar-id: 48 +date: 2021-01-13T13:00-0500 +title: "Extreme-scale Scientific Software Stack (E4S)" +presenter-ids: [shende-sameer, rogers-davidhonegger] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsceyqrTwtGhx2IVPLXJ95mpC_dEE2a5s +ecp-abbreviation: e4s +vtc-url: https://exascaleproject.zoomgov.com/w/1616523770?tk=LA44tZFNFn1Iw2TpsmaUPWBhbUICJ3YAdNn4H9rncg0.DQIAAAAAYFox-hY0Z3pqOTFhdFQxbXdBd1ExeWR0dGJRAAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 652 3770" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210113 +artifacts: + - label: Recording + format: YouTube + yt-video-id: uFkFwUvgrAI + - label: Slides Part 1 + format: PDF + url: /assets/artifacts/hpcbp/webinar048-e4s-pt1.pdf + - label: Slides Part 2 + format: PDF + url: /assets/artifacts/hpcbp/webinar048-e4s-pt2.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar048-e4s-qa.pdf +# +location: online +# +--- +With the increasing complexity and diversity of the software stack and system architecture of high performance computing (HPC) systems, the traditional HPC community is facing a huge productivity challenge in software building, integration and deployment. Recently, this challenge has been addressed by new software build management tools such as Spack that enable seamless software building and integration. Container based solutions provide a versatile way to package software and are increasingly being deployed on HPC systems. The DOE Exascale Computing Project (ECP) Software Technology focus area is developing an HPC software ecosystem that will enable the efficient and performant execution of exascale applications. Through the Extreme-scale Scientific Software Stack (E4S), it is developing a curated, Spack-based, comprehensive and coherent software stack that will enable application developers to productively write highly parallel applications that can portably target diverse exascale architectures. E4S provides both source builds through the Spack platform and a set of containers that feature a broad collection of HPC software packages. E4S exists to accelerate the development, deployment, and use of HPC software, lowering the barriers for HPC and AI/ML users. It provides container images, build manifests, and turn-key, from-source builds of popular HPC software packages developed as Software Development Kits (SDKs). This effort includes a broad range of areas including programming models and runtimes (MPICH, Kokkos, RAJA, OpenMPI), development tools (TAU, PAPI), math libraries (PETSc, Trilinos), data and visualization tools (Adios, HDF5, Paraview), and compilers (LLVM), all available through the Spack package manager. The webinar will describe the community engagements and interactions that led to the many artifacts produced by E4S, and will introduce the E4S containers that are being deployed at the HPC systems at DOE national laboratories. + +The presenters will discuss the recent efforts and techniques to improve software integration and deployment for HPC platforms, and describe recent collaborative work on reproducible workflows between E4S and the Pantheon project. Pantheon provides a set of working examples of end-to-end workflows using ECP apps, infrastructure and postprocessing, focused on common vis/analysis operations and workflows of interest to application scientists and show a video of the workflow. diff --git a/_events-draft/hpcbp-049-softwaredocumentation.md b/_events-draft/hpcbp-049-softwaredocumentation.md new file mode 100644 index 0000000..9e3a026 --- /dev/null +++ b/_events-draft/hpcbp-049-softwaredocumentation.md @@ -0,0 +1,45 @@ +--- +startdate: "2021-02-10" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar049 +# +presenters: + - name: Stephan Druskat + affiliation: Friedrich Schiller University Jena + github-id: sdruskat + bio: "Stephan Druskat is a Research Software Engineer in linguistics at the Friedrich Schiller University Jena, and is pursuing a PhD in Computer Science at the German Aerospace Center (DLR) and Humboldt-Universität zu Berlin. He has been Special Collaborator of the SSI since 2018, and does research on the interface between software citation and software sustainability, and on sustainable practices for small research software projects. Stephan is also active in the German and international Research Software Engineering initiatives." + - name: Sorrel Harriet + affiliation: Leeds Trinity University + github-id: sharriet + bio: "Sorrel Harriet is currently a lecturer at Leeds Trinity University where she leads their undergraduate computer science program. Sorrel was awarded the SSI Fellowship in 2019 and has since been carrying out research exploring software development processes and organisational structures in the academic research context. She is particularly interested in the applicability of socio-technical systems (STS) theory to the academic research context. In collaboration with other SSI fellows, Sorrel is looking to establish a community coaching initiative for academics and RSEs involved with research software development. You can register your interest in this initiative here." +# +webinar-id: 49 +date: 2021-02-10T13:00-0500 +title: "Good Practices for Research Software Documentation" +presenter-ids: [druskat-stephan, harriet-sorrel] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsf-ysqzgiHMXTHDl8MQIlbayLHoTf8R8 +ecp-abbreviation: softwaredocumentation +vtc-url: https://exascaleproject.zoomgov.com/w/1618545386?tk=-SclT57PKqJQoGbQ7dKSkOv9CCf03sTq4s33sx0cbZY.DQIAAAAAYHkK6hZMVGxIc0RwUFNWbXdkenBPaUo0Zml3AAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 854 5386" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210210 +artifacts: + - label: Recording + format: YouTube + yt-video-id: jyB8wvsfewQ + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar049-softwaredocumentation.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar049-softwaredocumentation-qa.pdf +# +location: online +# +--- +This webinar aims to introduce the importance of software documentation and the different approaches that may be taken at various stages, and on various levels, in the software development life cycle. Through the sharing of examples and stimulative questions, the speakers aim to encourage the audience to reflect on the relationship between documentation and process, and to make informed choices about when and how to document their software. diff --git a/_events-draft/hpcbp-050-raja.md b/_events-draft/hpcbp-050-raja.md new file mode 100644 index 0000000..c3e2507 --- /dev/null +++ b/_events-draft/hpcbp-050-raja.md @@ -0,0 +1,43 @@ +--- +startdate: "2021-03-10" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar050 +# +presenters: + - name: Arturo Vargas + affiliation: Lawrence Livermore National Laboratory + github-id: artv3 + bio: "Arturo Vargas is a computer scientist in the Application, Simulation, and Quality division at Lawrence Livermore National Laboratory. His work focuses on portable programming abstractions, high-performance computing, and high-order finite elements for hydrodynamics applications. He completed his Ph.D. in Computational and Applied Mathematics from Rice University in May 2017. His thesis work was on the development of high-order numerical methods for simulating wave propagation and their implementation on accelerators." +# +webinar-id: 50 +date: 2021-03-10T13:00-0500 +title: "An Overview of the RAJA Portability Suite" +presenter-ids: [vargas-arturo] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsfuygrD4iEgymQBt-3uI4cHjCe-cMTyY +ecp-abbreviation: raja-210310 +vtc-url: https://exascaleproject.zoomgov.com/w/1619582588?tk=R_c6Vm2ubhOPxwxt-1Gl2g_XGluUGXwdxzk7JIBbycU.DQIAAAAAYIjefBZtRlZ6c1FBNFN4Nm13T0dnV3JweHdBAAAAAAAAAAAAAAAAAAAAAAAAAAAA +vtc-session: "161 958 2588" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210310 +artifacts: + - label: Recording + format: YouTube + yt-video-id: W1wR4shM82s + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar050-raja.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar050-raja-qa.pdf +# +location: online +# +--- +The RAJA Portability Suite is a collection of open-source software libraries that enable developers to write single-source applications that are portable across a wide range of HPC architectures. The Suite contains tools for portable loop execution (RAJA) and memory management (Umpire and CHAI). The development of the Suite is motivated by the needs of production multiphysics codes, which must run efficiently on laptops, commodity clusters, and massively parallel advanced technology systems at any point in time as well as across multiple platform generations. The scale and complexity of these applications requires that they be able to employ system-appropriate native programming models, such as OpenMP, CUDA, and HIP, without significant source code modification. The abstractions that the RAJA Portability Suite provides enable such portable single-source application development. The Suite is used in a diverse range of production codes at Lawrence Livermore National Laboratory (LLNL). It is also funded as a Software Technology Project in DOE’s Exascale Computing Project, where the Suite supports a number of key applications. The webinar will provide an overview of the Suite and its capabilities and discuss status and plans to support applications on exascale platforms. The webinar will present code examples that illustrate basic usage and compare to programming with native programming models, and performance results for several applications that rely on the Suite for platform portability. + +This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-81860 \ No newline at end of file diff --git a/_events-draft/hpcbp-051-workflow4scisoft.md b/_events-draft/hpcbp-051-workflow4scisoft.md new file mode 100644 index 0000000..60fd77c --- /dev/null +++ b/_events-draft/hpcbp-051-workflow4scisoft.md @@ -0,0 +1,41 @@ +--- +startdate: "2021-04-07" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar051 +# +presenters: + - name: Tomislav Maric + affiliation: Technische Universität Darmstadt + github-id: tmaric + bio: "Tomislav Maric studied Mechanical Engineering at the University of Zagreb, Croatia, and has obtained his Ph.D. degree at the Institute for Mathematical Modeling and Analysis (MMA), Mathematics Department, at TU Darmstadt (Germany) and is currently working at TU Darmstadt as Athene Young Investigator. Tomislav has been developing unstructured Lagrangian / Eulerian Interface Approximation (LEIA) methods for simulating two-phase flows in the OpenFOAM open-source software since 2008. As a member of the Collaborative Research Center 1194 (CRC) at TU Darmstadt, he supports CRC-1194 researchers in developing research software and data." +# +webinar-id: 51 +date: 2021-04-07T13:00-0400 +title: "A Workflow for Increasing the Quality of Scientific Software" +presenter-ids: [maric-tomislav] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItc--hpzkqG_P54sup0MAZkIED3d7nZ3U +ecp-abbreviation: workflow4scisoft +vtc-url: https://exascaleproject.zoomgov.com/w/1604699201?tk=GMccsmv_63hCpipWE6Ji66tX_VH0TkRaO_FUqV0empo.DQIAAAAAX6XEQRZ4ZGhoamllcVR0cXprRzF1X09aUXJnAAAAAAAAAAAAAAAAAAAAAAAAAAAA&pwd=eFlLdGNCOWQ1b2J1TGFtTXJXdHQwdz09 +#vtc-session: "160 469 9201" +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210407 +artifacts: + - label: Recording + format: YouTube + yt-video-id: XOb1RecTnvA + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/webinar051-workflow4scisoft.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/webinar051-workflow4scisoft-qa.pdf +# +location: online +# +--- +The webinar will present a workflow that increases the quality of research software in Computational Science and Engineering (CSE) by applying established software engineering practices extended with CSE-specific testing and visualization, and periodical cross-linking of software with reports/publications and datasets. The workflow is minimalistic. It introduces a small amount of work overhead, which is crucial for research groups without dedicated funding for ensuring the quality of research software and reproducibility of scientific results. \ No newline at end of file diff --git a/_events-draft/hpcbp-052-fortran-cpp-bindings.md b/_events-draft/hpcbp-052-fortran-cpp-bindings.md new file mode 100644 index 0000000..8a047e4 --- /dev/null +++ b/_events-draft/hpcbp-052-fortran-cpp-bindings.md @@ -0,0 +1,39 @@ +--- +startdate: "2021-05-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar052 +# +presenters: + - name: Seth Johnson + affiliation: Oak Ridge National Laboratory + github-id: sethrj + bio: "Seth Johnson specializes in high-performance computational radiation transport as a research staff member at Oak Ridge National Laboratory. Although his background is in nuclear engineering, with a B.S. from Texas A&M University and a Ph.D. from the University of Michigan, he finds himself researching software advancements more than performing traditional engineering analyses. Over his career, Seth has developed new methods and tools in hybrid deterministic–Monte Carlo transport, computational geometry, sensitivity/uncertainty methods, automated inter-language code binding, and high-energy physics." +# +webinar-id: 52 +date: 2021-05-12T13:00-0400 +title: "Automated Fortran–C++ Bindings for Large-Scale Scientific Applications" +presenter-ids: [johnson-seth] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdOugqDwsH-ickhvZjTXVfYMkLFBDzvc +ecp-abbreviation: fortran-cpp-bindings +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210512 +artifacts: + - label: Recording + format: YouTube + yt-video-id: pNGsLxm69r8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp052-fortran-cpp-bindings.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp052-fortran-cpp-bindings-qa.pdf +# +location: online +# +--- +Although many active scientific codes use modern Fortran, most contemporary scientific software libraries are implemented in C and C++. Providing their numerical, algorithmic, or data management features to Fortran codes requires writing and maintaining substantial amounts of glue code. In the same vein, some projects are actively moving key kernels from Fortran toward C++ to support performance portability models and other rapidly-developing, dynamic programming paradigms. How can a project smoothly connect existing Fortran code to new internal C++ kernels or external C++ libraries? SWIG-Fortran provides a solution with a wide range of flexibility, including support for performant data transfers, MPI support, and direct translation of C++ features to Fortran interfaces. diff --git a/_events-draft/hpcbp-053-psip4hdf.md b/_events-draft/hpcbp-053-psip4hdf.md new file mode 100644 index 0000000..1773904 --- /dev/null +++ b/_events-draft/hpcbp-053-psip4hdf.md @@ -0,0 +1,47 @@ +--- +startdate: "2021-06-09" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar053 +# +presenters: + - name: Elena Pourmal + affiliation: The HDF Group + github-id: epourmal + bio: "Elena Pourmal is one of the founders of The HDF Group, a not-for-profit company with the mission to develop and sustain the HDF technology, and to provide free and open access to data stored in HDF. She has been with The HDF Group since 1997 and for more than 20 years led HDF software maintenance, quality assurance and user support efforts. Ms. Pourmal currently serves as The HDF Group Engineering Director leading HDF5 engineering effort and is also a member of The HDF Group Board of Directors. Elena received her MS in Mathematics from Moscow State University and MS in Theoretical and Applied Mechanics from University of Illinois at Urbana-Champaign." + - name: Reed Milewicz + affiliation: Sandia National Laboratories + github-id: rmmilewi + bio: "Reed Milewicz is a computer scientist and Senior Member of Technical Staff in the Software Engineering and Research Department at Sandia National Laboratories. His research focuses on software engineering, and developing better practices, processes, and tools to improve software development in the scientific domain. He leads software science research efforts within his department and is a member of the Interoperable Design of Extreme-Scale Application Software (IDEAS) project, an arm of the Exascale Computing Project (ECP), where he is part of the Productivity and Sustainability Improvement Planning (PSIP) team." + - name: Elsa Gonsiorowski + affiliation: Lawrence Livermore National Laboratory + github-id: gonsie + bio: "Elsa Gonsiorowski is an application I/O specialist and systems software developer at Lawrence Livermore National Laboratory. She received a Ph.D. in Computer Science from Rensselaer Polytechnic Institute, Troy, NY. Her research interests include software for application checkpointing, parallel discrete-event simulation, and software engineering practices. She is passionate about improving developer productivity and works with ECP teams through the IDEAS project." +# +webinar-id: 53 +date: 2021-06-09T13:00-0400 +title: "Using the PSIP Toolkit to Achieve Your Goals – A Case Study at The HDF Group" +presenter-ids: [pourmal-elena, milewicz-reed, gonsiorowski-elsa] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdOqtqD4uHWFp_SCGelX6Zxdiuw6Hm7o +ecp-abbreviation: psip4hdf +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210609 +artifacts: + - label: Recording + format: YouTube + yt-video-id: kPUYKuiJQZs + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp053-psip4hdf.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp053-psip4hdf-qa.pdf +# +location: online +# +--- +Productivity and Sustainability Improvement Planning (PSIP) is a lightweight, iterative workflow that allows software development teams to identify development bottlenecks and track progress toward goals to overcome them. In this talk, we present an overview of the PSIP methodology and toolkit, and describe how the HDF5 Group used PSIP to make improvements in three key areas of their software development process. diff --git a/_events-draft/hpcbp-054-miningdevdata.md b/_events-draft/hpcbp-054-miningdevdata.md new file mode 100644 index 0000000..f15b944 --- /dev/null +++ b/_events-draft/hpcbp-054-miningdevdata.md @@ -0,0 +1,39 @@ +--- +startdate: "2021-07-07" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar054 +# +presenters: + - name: Boyana Norris + affiliation: University of Oregon + github-id: brnorris03 + bio: "Boyana Norris received her B.S. in Computer Science at Wake Forest University in 1995 and her Ph.D. in Computer Science from the University of Illinois at Urbana-Champaign in 2000. She joined Argonne National Laboratory as a postdoctoral researcher in 1999 and continued working there through 2013 as an Assistant Computer Scientist and Computer Scientist. She is currently an Associate Professor at the Department of Computer and Information Science at the University of Oregon. Her research in high-performance computing (HPC) focuses on methodologies and tools for performance reasoning and automated optimization of scientific applications, while ensuring continued or better usability of HPC tools and libraries and improving developer productivity. She has coauthored over 90 peer-reviewed publications on topics including performance modeling, automated performance optimization (autotuning) of parallel scientific applications, embedding of domain-specific languages into legacy codes, source-transformation-based automatic differentiation, adaptive algorithms for HPC, component-based software engineering for HPC, and taxonomy-based approaches to learning and using HPC libraries." +# +webinar-id: 54 +date: 2021-07-07T13:00-0400 +title: "Mining Development Data to Understand and Improve Software Engineering Processes in HPC Projects" +presenter-ids: [norris-boyana] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsd-msqjgpGsfS-Mj9ge97Dlt1r7TTbXE +ecp-abbreviation: miningdatasep +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210707 +artifacts: + - label: Recording + format: YouTube + yt-video-id: jY_evczWUz0 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp054-miningdevdata.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp054-miningdevdata-qa.pdf +# +location: online +# +--- +The webinar will explore the role of software-related data mining tools in supporting productive development of high-performance scientific software. The webinar will discuss a variety of existing and emerging tools for analyzing code, git, emails, issues, test results, and dependencies, with the long-term goal of improving the understanding of development processes and enhancing developer productivity. The webinar will include specific analysis examples by applying a subset of those tools to ECP projects. diff --git a/_events-draft/hpcbp-055-sebp4ssd.md b/_events-draft/hpcbp-055-sebp4ssd.md new file mode 100644 index 0000000..f531ee6 --- /dev/null +++ b/_events-draft/hpcbp-055-sebp4ssd.md @@ -0,0 +1,39 @@ +--- +startdate: "2021-08-04" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar055 +# +presenters: + - name: Keith Beattie + affiliation: Lawrence Berkeley National Laboratory + github-id: ksbeattie + bio: "Keith Beattie is a computer systems engineer at the Lawrence Berkeley National Laboratory (LBNL) with experience in bringing modern, open-source software engineering practices to academic and research contexts. His interests are in understanding and addressing the unique challenges in leading multi-institutional, geographically dispersed scientific software development teams while still producing effective and usable software, particularly teams composed of members from scientific but not necessarily software engineering backgrounds. He has worked in industry as a software engineer and release manager and has been at LBNL for the past 20 years. He also tortures local music venue attendees playing bass in rock bands." +# +webinar-id: 55 +date: 2021-08-04T13:00-0400 +title: "Software Engineering Challenges and Best Practices for Multi-Institutional Scientific Software Development" +presenter-ids: [beattie-keith] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsc-mgpj8vHwmuiHXX7Yo0NEy4_AhfmJk +ecp-abbreviation: sebp4ssd +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-survey-210804 +artifacts: + - label: Recording + format: YouTube + yt-video-id: nzqUAynvDjA + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp055-sebp4ssd.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp055-sebp4ssd-qa.pdf +# +location: online +# +--- +Scientific software is increasingly becoming the backbone of obtaining and validating scientific results. This is no longer just the case for traditionally computationally intensive areas but is now true across a wide variety of scientific disciplines. This circumstance elevates how scientific software is developed, independent of the field, to a new level of importance. Further, the multi-institutional nature of many science projects presents unique challenges to how scientific software can be effectively developed and maintained over the long term. In this webinar we present the challenges faced in leading the development of scientific software across a distributed, multi-institutional team of contributors, and we describe a set of best-practices we have found to be effective in producing impactful and trustworthy scientific software. diff --git a/_events-draft/hpcbp-056-20yearsopensource.md b/_events-draft/hpcbp-056-20yearsopensource.md new file mode 100644 index 0000000..015515b --- /dev/null +++ b/_events-draft/hpcbp-056-20yearsopensource.md @@ -0,0 +1,39 @@ +--- +startdate: "2021-09-15" +time: "02:00 pm - 03:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar056 +# +presenters: + - name: Wolfgang Bangerth + affiliation: Colorado State University + github-id: bangerth + bio: "Wolfgang Bangerth is a professor of mathematics and, by courtesy, geosciences at Colorado State University. He studied physics and mathematics at the University of Stuttgart and the University of Heidelberg in Germany. Following a few months at the ETH Zurich in Switzerland, he was a postdoc at the Institute for Computational Engineering and Sciences (ICES, now the Oden Institute) and the Institute for Geophyics at the University of Texas at Austin, and starting in 2005 on the faculty of the Department of Mathematics of Texas A&M University. He has been at Colorado State University since 2016. During his PhD time in Heidelberg, Wolfgang started the deal.II finite element library, a library that by now has more than a million lines of C++ and is the basis for at least 1,600 publications in nearly all areas of the sciences and engineering. He is also a founding Principal Developer of the ASPECT code that is widely used in the simulation of convection in the Earth mantle as well as for long-term deformation in the crust." +# +webinar-id: 56 +date: 2021-09-15T14:00-0400 +title: "What I Learned from 20 Years of Leading Open Source Projects" +presenter-ids: [bangerth-wolfgang] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsd-qprjgpEv1GMg5MlnUUhVIJir2ocas +ecp-abbreviation: 20years-in-opensource +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: 7NBHS5w31Tg + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp056-20yearsopensource.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp056-20yearsopensource-qa.pdf +# +location: online +# +--- +Scientific software has grown from loose collections of individual routines working on relatively simple data structures to very large packages of 100,000s to millions of lines of code, with dozens of contributors, and hundreds or thousands of users. In the process, the approaches to software development have also drastically changed: both the software packages as well as their development are professionally managed, with version control, extensive test suites, and automatic regression checks for every patch. Maybe more interestingly, the approaches to managing the *community* software developers and users have also dramatically changed. Having led two large, open source software projects (the finite element package deal.II, and the Advanced Simulator for Problems in Earth ConvecTion ASPECT) for more than 20 years, the presenter will share lessons learned about both the technical management of scientific software projects, as well as the social side of these projects. diff --git a/_events-draft/hpcbp-057-sierra-elcapitan-coes.md b/_events-draft/hpcbp-057-sierra-elcapitan-coes.md new file mode 100644 index 0000000..69b3a36 --- /dev/null +++ b/_events-draft/hpcbp-057-sierra-elcapitan-coes.md @@ -0,0 +1,39 @@ +--- +startdate: "2021-10-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar057 +# +presenters: + - name: David Richards + affiliation: Lawrence Livermore National Laboratory + github-id: richards12 + bio: "David Richards is a computational physicist in the Center for Applied Scientific Computing at Lawrence Livermore National Laboratory (LLNL). He received a B.S. in Physics from Harvey Mudd College and a Ph.D. in Physics from the University of Illinois at Urbana-Champaign. David joined LLNL in 2006 and has over 20 years of experience in scientific computing as both a user and application developer in academic, industrial, and national lab settings. David currently leads the El Capitan Center of Excellence and the Advanced Architecture and Portability Specialists (AAPS) team at LLNL. He is also the PI for the ECP Proxy App Project. David has served as PI of successful LDRD, CRADA, and LLNL Institutional Center of Excellence projects." +# +webinar-id: 57 +date: 2021-10-13T13:00-0400 +title: "Migrating to Heterogeneous Computing: Lessons Learned in the Sierra and El Capitan Centers of Excellence" +presenter-ids: [richards-david] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItcOqsrzouG3uIZ7-dvHS7skn8OvfR6_s +ecp-abbreviation: sierra_and_elcapitan_coes +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: OsHGb_Ua1gk + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp057-sierra-elcapitan.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp057-sierra-elcapitan-qa.pdf +# +location: online +# +--- +The introduction of heterogeneous computing via GPUs from the Sierra architecture represented a significant shift in direction for computational science at Lawrence Livermore National Laboratory (LLNL), and therefore required significant preparation. The Sierra Center of Excellence (COE) brought employees with specific expertise from IBM and NVIDIA together with LLNL in a concentrated effort to prepare applications, system software, and tools for the Sierra supercomputer. To prepare for El Capitan, a new COE is currently operating in collaboration with HPE and AMD. This webinar will describe the operation of these COEs and document lessons learned, with the hope that others will be able to learn from both our success and intermediate setbacks. We describe what we have found to be best practices for managing the vendor collaborations, migrating algorithms and source code, working with the system software stack and tools, and optimizing application performance. diff --git a/_events-draft/hpcbp-058-55plus-years-in-hpc.md b/_events-draft/hpcbp-058-55plus-years-in-hpc.md new file mode 100644 index 0000000..dc6229b --- /dev/null +++ b/_events-draft/hpcbp-058-55plus-years-in-hpc.md @@ -0,0 +1,35 @@ +--- +startdate: "2021-11-10" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar058 +# +presenters: + - name: Jean Shuler + affiliation: Lawrence Livermore National Laboratory + github-id: JeanShuler +# +webinar-id: 58 +date: 2021-11-10T13:00-0500 +title: "55+ years in High-Performance Computing: One Woman’s Experiences and Perspectives" +presenter-ids: [shuler-jean] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsdOyhrjspHJ4JK9sod01phsFxlegHn9c +ecp-abbreviation: 55plus-years-in-hpc +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: zPlXn0ND2Vs + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp058-55yearsinHPC.pdf +# +location: online +# +--- +This HPC webinar will differ from others in the series. We will have a Q&A session with Jean Shuler, a woman who has worked at the leading edge of High-Performance Computing for more than 55 years. Jean graduated with a degree in Mathematics from William and Mary in 1963 and taught herself programming on the job at NASA Langley. By 1972, she came to LLNL where she has worked ever since. She initially worked on early data storage and graphics systems. Challenges in learning to use computing center resources gave Jean a passion for helping others find their way in HPC. She eventually led User Services for the National Energy Research Scientific Computing (NERSC) Center. This role took Jean all over the world contributing to Cray User Group meetings. When NERSC moved from LLNL in 1996, Jean created and led the User Services Group for Livermore Computing. Throughout her career, Jean has supported various HPC systems from CDC, Cray, Meiko, and IBM on the march to Exascale. If you have an interest in computing history, the experiences and impact of women in computing or if you are early in your career and looking for some inspiration, you will want to attend this webinar and listen to Jean’s amazing career and stories. diff --git a/_events-draft/hpcbp-059-scisoftecosystems.md b/_events-draft/hpcbp-059-scisoftecosystems.md new file mode 100644 index 0000000..b215b64 --- /dev/null +++ b/_events-draft/hpcbp-059-scisoftecosystems.md @@ -0,0 +1,36 @@ +--- +startdate: "2021-12-08" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar059 +# +presenters: + - name: Lois Curfman McInnes + affiliation: Argonne National Laboratory + github-id: curfman + bio: "Lois Curfman McInnes is an Argonne Distinguished Fellow in the Mathematics and Computer Science Division of Argonne National Laboratory. Her work focuses on high-performance computational science, with emphasis on scalable numerical libraries and community collaboration toward productive and sustainable software ecosystems. Lois serves as Deputy Director of Software Technology for the U.S. DOE Exascale Computing Project. She also co-leads the IDEAS scientific software productivity project, which focuses on improving software productivity and sustainability as a key aspect of advancing scientific productivity." +# +webinar-id: 59 +date: 2021-12-08T13:00-0500 +title: "Scientific software ecosystems and communities: Why we need them and how each of us can help them thrive" +presenter-ids: [mcinnes-loiscurfman] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsduGgrD4vGWv5HMbTwlJodowqcpiEPBM +ecp-abbreviation: scisoftecosystems +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: 59_x-gdCjn4 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-059-scisoftecosystem.pdf +# +location: online +# +--- +HPC software is a cornerstone of long-term collaboration and scientific progress, but software complexity is increasing due to disruptive changes in computer architectures and the challenges of next-generation science. Thus, the HPC community has the unique opportunity to fundamentally change how scientific software is designed, developed, and sustained—embracing community collaboration toward scientific software ecosystems, while fostering a diverse HPC workforce who embody a broad range of skills and perspectives. This webinar will introduce work in the U.S. Exascale Computing Project, where a varied suite of scientific applications builds on programming models and runtimes, math libraries, data and visualization packages, and development tools that comprise the Extreme-scale Scientific Software Stack (E4S). The webinar will introduce crosscutting strategies that are increasing developer productivity and software sustainability, thereby mitigating technical risks by building a firmer foundation for reproducible, sustainable science. The webinar will also mention complementary community efforts and opportunities for involvement. diff --git a/_events-draft/hpcbp-060-wrongway.md b/_events-draft/hpcbp-060-wrongway.md new file mode 100644 index 0000000..023f919 --- /dev/null +++ b/_events-draft/hpcbp-060-wrongway.md @@ -0,0 +1,36 @@ +--- +startdate: "2022-02-16" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar060 +# +presenters: + - name: Philip Roth + affiliation: Oak Ridge National Laboratory + github-id: rothpc + bio: "Philip C. Roth leads the Algorithms and Performance Analysis group within the National Center for Computational Sciences (NCCS) at Oak Ridge National Laboratory (ORNL). He joined ORNL in 2004 as a member of the Future Technologies group in ORNL’s Computer Science and Mathematics Division, and moved to the NCCS in late 2018. His research interests include scalable techniques for performance optimization and software characterization, programming models targeting compute accelerators, and emerging technology. He earned his Ph.D. in Computer Science from the University of Wisconsin-Madison in 2005." +# +webinar-id: 60 +date: 2022-02-16T13:00-0500 +title: "Wrong Way: Lessons Learned and Possibilities for Using the \"Wrong\" Programming Approach on Leadership Computing Facility Systems" +presenter-ids: [roth-philip] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdemtqDkuHAPUcjMhLX_F2JtcHPSNB64 +ecp-abbreviation: wrongway +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: AsUAXkw4q88 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp060-wrongway.pdf +# +location: online +# +--- +Large scale computing systems such as those deployed and being deployed at U.S. Department of Energy computing facilities rely greatly on compute accelerators (currently graphics processing units, GPUs) for their performance potential. Each of these systems has a small number of natural approaches for representing the code that runs on these accelerators. For instance, for the Oak Ridge Leadership Computing Facility’s Frontier system, the natural approaches include the Heterogeneous-Compute Interface for Portability (HIP) and OpenMP with target offload. But it is often interesting, and sometimes even useful, to consider the impact of using a “wrong” programming approach for a given system. In this webinar, the speaker will present a few of these “wrong” programming approaches for current and near-term future systems, including a discussion of the specific software packages that enable the approach, and lessons learned in cases where the approach has been attempted. diff --git a/_events-draft/hpcbp-061-design-patterns.md b/_events-draft/hpcbp-061-design-patterns.md new file mode 100644 index 0000000..f1eeafb --- /dev/null +++ b/_events-draft/hpcbp-061-design-patterns.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-03-09" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar061 +# +presenters: + - name: Tomislav Maric + affiliation: Technische Universität Darmstadt + github-id: tmaric + bio: "Tomislav Maric studied Mechanical Engineering at the University of Zagreb, Croatia, and has obtained his Ph.D. degree at the Institute for Mathematical Modeling and Analysis (MMA), Mathematics Department, at TU Darmstadt (Germany) and is currently working at TU Darmstadt as Athene Young Investigator. Tomislav has been developing unstructured Lagrangian / Eulerian Interface Approximation (LEIA) methods for simulating two-phase flows in the OpenFOAM open-source software since 2008. As a member of the Collaborative Research Center 1194 (CRC) at TU Darmstadt, he supports CRC-1194 researchers in developing research software and data." +# +webinar-id: 61 +date: 2022-03-09T13:00-0500 +title: "Software Design Patterns in Research Software with Examples from OpenFOAM" +presenter-ids: [maric-tomislav] +topics: ["online learning", "design"] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIscuupqD4rGjGuOSSg2TNB9NgJhI_qkiY +ecp-abbreviation: design-patterns +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: F4fxlM5gmtU + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp061-designpatterns.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp061-designpatterns-qa.pdf +# +location: online +# +--- +Combining sub-algorithms to develop robust, scalable, and convergent numerical methods carries with itself a high level of uncertainty. Extensive automatic testing reduces this uncertainty for methods whose properties cannot be proven mathematically in all application scenarios – basically, most numerical methods. Methods with a more solid theoretical basis still require extensive testing since the jump between theory and practice is often challenging. The ability to select numerical sub-algorithms and combine them easily at runtime, speeds up research immensely. Software design patterns already very successfully address the requirements of runtime selection and algorithm combinations and are staples of modern software engineering. This webinar covers a handful of beneficial software design patterns that provide a solid basis for developing numerical methods in a modular way – drawing concrete examples from OpenFOAM, a highly modular open-source software for Computational Fluid Dynamics. diff --git a/_events-draft/hpcbp-062-performance-portability-evaluation.md b/_events-draft/hpcbp-062-performance-portability-evaluation.md new file mode 100644 index 0000000..8d232bb --- /dev/null +++ b/_events-draft/hpcbp-062-performance-portability-evaluation.md @@ -0,0 +1,41 @@ +--- +startdate: "2022-04-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar062 +# +presenters: + - name: JaeHyuk Kwack + affiliation: Argonne Leadership Computing Facility + github-id: jkwack + bio: "JaeHyuk Kwack is a member of the performance engineering group at Argonne Leadership Computing Facility. He is a lead of performance tools for ALCF computing resources, and he is responsible for ensuring the readiness of several major scientific applications for performant use on the U.S. DOE’s forthcoming Aurora exa-scale system. He received his B.S. and M.S. in engineering from Seoul National University, South Korea, and a Ph.D. in computational mechanics from University of Illinois at Urbana-Champaign, USA. Before joining Argonne, he had worked as a research programmer for Blue Waters supercomputing project at National Center for Supercomputing Applications." +# +webinar-id: 62 +date: 2022-04-13T13:00-0400 +title: "Evaluating Performance Portability of HPC Applications and Benchmarks Across Diverse HPC Architectures" +presenter-ids: [kwack-jaehyuk] +topics: [“online learning”, “performance at leadership computing facilities”, “performance portability”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsdOGprDMjE4X9dnLIY1DleDme3cYyFpI +ecp-abbreviation: performance-portability-evaluation +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: D3daHofpheQ + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp062-performanceportability.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp062-performanceportability-qa.pdf +# +location: online +# +--- +As HPC communities move into the exascale era, GPU-accelerated systems become one of the primary HPC architectures, and major processor vendors proactively lead technical innovation in the GPU ecosystem. The U.S. DOE has successfully supported this transformation to the next generation of HPC infrastructure through the Exascale Computing Project (ECP). NVIDIA has played a leading role to deploy multiple pre-exascale GPU systems (Summit at OLCF, Sierra at LLNL, Perlmutter at NERSC, and Polaris at ALCF). AMD and Intel are playing critical roles in developing exascale GPU systems, such as Frontier at OLCF, Aurora at ALCF, and El Capitan at LLNL. Simultaneously with the dynamic shifts in hardware, application developer communities have endeavored to maintain or increase their scientific throughputs by adopting performance portable programming models or frameworks, and it turns out a smooth transition is one of the necessary conditions to maintain productivity. In this webinar, the speaker will evaluate the progress being made on achieving performance portability by a subset of ECP applications or their related mini-apps, and approaches to achieving performance portability across diverse HPC architectures including AMD, Intel, and NVIDIA GPUs. + diff --git a/_events-draft/hpcbp-063-temporalanalysis.md b/_events-draft/hpcbp-063-temporalanalysis.md new file mode 100644 index 0000000..69538d2 --- /dev/null +++ b/_events-draft/hpcbp-063-temporalanalysis.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-05-11" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar063 +# +presenters: + - name: Marisol Garcia-Reyes + affiliation: Farallon Institute + github-id: marisolgr + bio: "Marisol Garcia-Reyes has a background in physics, atmospheric science and computer sciences, but she’s an oceanographer at heart. Her research focuses on how climate change and variability impact marine environments and ecosystems, and on climate extreme events. For this, she analyzes large amounts of diverse data, including satellite, in situ and model data, using it in her own research and in collaborative research where Earth data and her data expertise is needed. This has motivated her to learn and share her experiences and expertise on new data and coding advances. She is also a mentor, committed to increasing access, equity, and diversity in education and in sciences." +# +webinar-id: 63 +date: 2022-05-11T13:00-0400 +title: "Acquisition and Analysis of Times Series of Satellite Data in the Cloud – Lessons from the Field" +presenter-ids: [garciareyes-marisol] +topics: [“online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdO2vqzgvEovKLczTLnUWLwKVpVPbE4g +ecp-abbreviation: temporalanalysis +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: l-NUI1jIkA4 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp063-temporalanalysis.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp063-temporalanalysis-qa.pdf +# +location: online +# +--- +Satellite data has grown and matured to levels that allow powerful and relevant analysis in climate science, which requires time series spanning decades. Acquiring such data has been a technical and coding challenge given the historical formats in which data is stored, and analyzing the data has required high levels of coding expertise. With technological advances, like the coding language Python and new storage and process capabilities available in the cloud, there is great potential to increase the use of satellite data in new and diverse research areas. This requires, however, expanding the user base by building capacity in groups with limited coding or technological expertise. A challenge is the steep learning curve for these new technological advances, which can be intimidating and discouraging. To provide a taste of the new technologies and opportunities they provide, the presenter has developed a tutorial to teach potential new users how to acquire, synthesize and analyze satellite and satellite-based time series of data, while learning and using Python and cloud advances in the process. In this webinar, the speaker will share the lessons learned in making and teaching the tutorial, which can be found at . diff --git a/_events-draft/hpcbp-064-embracingchange.md b/_events-draft/hpcbp-064-embracingchange.md new file mode 100644 index 0000000..19b77fe --- /dev/null +++ b/_events-draft/hpcbp-064-embracingchange.md @@ -0,0 +1,44 @@ +--- +startdate: "2022-06-15" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar064 +# +presenters: + - name: Mary Ann Leung + affiliation: Sustainable Horizons Institute + github-id: maleung + bio: "Mary Ann Leung is the founder and President of Sustainable Horizons Institute, a nonprofit organization dedicated to developing the computational science and engineering workforce and promoting diversity, equity, and inclusion. Her research interests span computational quantum mechanics, quantum computing, high performance computing, workforce development, diversity, equity, and inclusion. Leung serves as an Editor for the Computing in Science and Engineering (CiSE) Magazine Diversity and Inclusion department. She performs a variety of community activities including serving on the study committee for the Congressionally mandated National Academies Assessment of the NASA University Leadership Initiative. Dr. Leung holds B.A., M.S. and PhD. degrees in Computational Physical Chemistry." +# +webinar-id: 64 +date: 2022-06-15T13:00-0400 +title: "Normalizing Inclusion by Embracing Difference" +presenter-ids: [leung-maryann] +topics: ["inclusivity", "strategies for more effective teams", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIscOuvqz4rEvgvterVYAd_ccxKXvhaPb0 +ecp-abbreviation: embracingdifference +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: Vv7wjB4e-3A + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp064-embracingdifference.pdf + - label: Chat Transcript + format: TXT + url: /assets/artifacts/hpcbp/hpcbp064-embracingdifference-chat.txt +# +location: online +# +--- +Computational science and engineering (CSE) is an inter- and multidisciplinary field. Given the technical breadth of CSE, one might expect CSE communities to include a broad range of demographics, creating an ideal ecosystem for diversity, equity, and inclusion (DEI). However, while research indicates that social diversity results in greater innovation, the CSE workforce remains largely homogeneous. This interactive webinar will explore what it takes to achieve DEI, how DEI could increase innovation and developer productivity, as well as how cultivating respect and embracing difference could help to make inclusion the norm. The session will also include important activities for applying the concepts discussed, deepening understanding, and increasing potential impact. + +This webinar is co-organized with the ECP’s newly established [HPC Workforce Development and Retention Action Group](https://www.exascaleproject.org/hpc-workforce/), which organizes a webinar series on topics related to developing a diverse, equitable, and inclusive work culture in the computing sciences. + +Note that this webinar is scheduled for 90 minutes (1:00pm-2:30pm EDT) rather than the usual 60 minutes. diff --git a/_events-draft/hpcbp-065-precice-ecosystem.md b/_events-draft/hpcbp-065-precice-ecosystem.md new file mode 100644 index 0000000..cf569c9 --- /dev/null +++ b/_events-draft/hpcbp-065-precice-ecosystem.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-07-06" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar065 +# +presenters: + - name: Gerasimos Chourdakis + affiliation: Technical University of Munich + github-id: makish + bio: "Gerasimos Chourdakis is a doctoral candidate at the Technical University of Munich, working on transforming the preCICE project from an “as-is” coupling library into a “batteries included” multiphysics ecosystem. With this perspective, he takes the leading role in organizing the development and operations of the “flesh” of the preCICE ecosystem, including adapters for various solvers, tutorial cases, documentation, website, and testing, shaping these components for the preCICE community to grow upon. He is also researching methods for geometric multiscale coupling and enjoys teaching topics related to research software engineering." +# +webinar-id: 65 +date: 2022-07-06T13:00-0400 +title: "Growing preCICE from an as-is Coupling Library to a Sustainable, Batteries-included Ecosystem" +presenter-ids: [chourdakis-gerasimos] +topics: ["strategies for more effective teams", "software engineering", "software process improvement", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdOGrrjMrHKZnWI22lh6qwAwFux6NosI +ecp-abbreviation: precice-ecosystem +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: ntN0aq-gHc8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp065-precice.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp065-precice-qa.pdf +# +location: online +# +--- +Starting humbly as a coupling library for fluid-structure interaction problems used by just a few academic groups in Germany, preCICE has grown to a complete coupling ecosystem used by more than 100 research groups worldwide, and for a wide range of multi-physics applications. How did that happen? Apart from the library itself, preCICE now maintains ready-to-use adapters for several open-source solvers, tutorial cases, documentation, and more. Users can thus easily couple popular open-source solvers (such as OpenFOAM, SU2, deal.II, or FEniCS) with their in-house simulation software (written in C++, C, Fortran, Python, Matlab, or Julia). In parallel to this, the developers of preCICE had to learn how to write more effective documentation (avoiding fragmentation and getting the user in the loop), how to manage the rapidly growing community (switching from a mailing list to a chatroom and then to a dedicated Discourse forum), and how to organize workshops and training courses. This webinar will focus on lessons learned that can help any research software project grow in a sustainable way. diff --git a/_events-draft/hpcbp-066-strategies4proposalwriting.md b/_events-draft/hpcbp-066-strategies4proposalwriting.md new file mode 100644 index 0000000..68717df --- /dev/null +++ b/_events-draft/hpcbp-066-strategies4proposalwriting.md @@ -0,0 +1,37 @@ +--- +startdate: "2022-08-10" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar066 +# +presenters: + - name: Chase Million + affiliation: Million Concepts + github-id: cmillion + bio: "Chase Million is the founder and CEO of Million Concepts, a company that provides research software engineering and research support services, primarily in the fields of planetary science and astronomy. Chase has almost 20 years of domain experience. He has written mission support software for a number of NASA missions, including the most recent four Mars rovers and the Galaxy Evolution Explorer (GALEX) space telescope. He has spent ten years as a software project manager, including serving as PI on multiple software-heavy, grant-funded projects. He is a founding member of the OpenPlanetary Foundation, and known as an advocate for open source software, open data, and high-quality research software / data archiving. He is also one of the 2021 Better Scientific Software fellows." +# +webinar-id: 66 +date: 2022-08-10T13:00-0400 +title: "Effective Strategies for Writing Proposal Work Plans for Research Software" +presenter-ids: [million-chase] +topics: ["software engineering", "requirements", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIscumurj4jGfrT7IlFCpoaIwQhXTbWWNk +ecp-abbreviation: strategies4proposalwriting +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: -GvB6pa1gqw + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-066-strategies4proposalwriting.pdf +# +location: online +# +--- +Effective research proposals must persuade review panels that the project objectives can be achieved and that the requested resources are reasonable and sufficient resources for doing so. A clear, plausible work plan is central to this persuasive process. Despite the fact that many research projects require a great deal of software development, the true costs of software development tasks are often underappreciated and underestimated by both proposers and reviewers. Accurately judging and communicating these costs leads to better proposal and project outcomes. We will quickly survey software project scoping, requirements elicitation, and estimation methods appropriate for the pre-proposal phase, then explain how these can be used to generate a strong and convincing work plan. Topics will include vision and scope, concept of operations, and requirements specification documents; work breakdown structures; requirements / task matrices; and Gantt charts. Strategies for maximizing the impact of these artifacts within a research proposal will be discussed, with suggestions for further reading. diff --git a/_events-draft/hpcbp-067-softwarepackaging.md b/_events-draft/hpcbp-067-softwarepackaging.md new file mode 100644 index 0000000..c3e8f7c --- /dev/null +++ b/_events-draft/hpcbp-067-softwarepackaging.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-09-07" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar067 +# +presenters: + - name: David Rogers + affiliation: Oak Ridge National Laboratory + github-id: frobnitzem + bio: "David M. Rogers is a computational scientist in the National Center for Computational Sciences Division at ORNL, where he works to develop mathematical and computational theory jointly with methods for multiscale modeling using HPC. He obtained his Ph.D. in Physical Chemistry from University of Cincinnati in 2009 where he worked on applying Bayes’ theorem to the free energy problem with applications to multiscale modeling of fluids and interface chemistry. After a Post-doctoral fellowship at Sandia National Labs working on modeling of desalination and ion conduction, he served as Assistant Professor of Chemistry from 2013-2019. Over that time, he has published over a range of topics including statistical mechanical methods in liquids, biomolecules, and quantum models, small nonequilibrium systems, hydration, and finite-size effects in nanoscale devices." +# +webinar-id: 67 +date: 2022-09-07T13:00-0400 +title: "Software Packaging" +presenter-ids: [rogers-david] +topics: ["configuration and build", "release and deployment", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsfuCvqDorEmKKU_Dmtrut31OAjQiAeNg +ecp-abbreviation: softwarepackaging +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: gvRhYtF1I1E + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-067-softwarepackaging.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-067-softwarepackaging-qa.pdf +# +location: online +# +--- +The ability to “import” a package is the critical enabling technology for software re-use. As a package developer, there are a variety of standards and tools we can adopt to make importing our work easier for our users. This webinar surveys packaging technologies and ideas popular in scientific software (C++, python, and Fortran with autoconf, cmake, python builds, spack, and containers). Good re-usability is a product of thoughtful program structure, build process, version control, and testing. By examining some real-world examples, we show how these steps build on each other in “live” projects to make easy connections between software deployment and package use. diff --git a/_events-draft/hpcbp-068-codereview.md b/_events-draft/hpcbp-068-codereview.md new file mode 100644 index 0000000..2a027e2 --- /dev/null +++ b/_events-draft/hpcbp-068-codereview.md @@ -0,0 +1,48 @@ +--- +startdate: "2022-10-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar068 +# +presenters: + - name: Thibault Lestang + affiliation: Imperial College London + github-id: tlestang + bio: "Thibault Lestang is a Senior Research Software Engineer in Computational Fluid Dynamics, Imperial College London. Thibault works closely with researchers to develop and maintain software across the Department of Aeronautics, with a focus on open-source fluid flow solvers Xcompact3 and Nektar++. Through training courses and individual support, he also promotes the development of good software engineering practices in the department, making research more open, sustainable and efficient. As a fellow of the Software Sustainability Institute, Thibault is interested in bridging the gap between software engineering methods and conventional scientific research workflows." + - name: Dominik Krzemiński + affiliation: University of Cambridge + github-id: dokato + bio: "Dominik Krzemiński is a Research Associate at the FlyConnectome group, University of Cambridge. Dominik’s interest spans between neural decision-making circuits and applications of AI to neuroscience. He organized a number of workshops and conferences for the wider scientific coding community. As a Software Sustainability Institute Fellow and Cambridge Data Champion, he promotes good coding practices, such as code reviews and testing, in the research environment." + - name: Valerio Maggio + affiliation: Software Sustainability Institute + github-id: leriomaggio + bio: "Valerio Maggio is a Researcher, Data scientist, and fellow at the Software Sustainability Institute, as well as a casual “Magic: The Gathering” wizard. He holds a Ph.D. in Computer Science with a thesis on Machine Learning for Software Maintainability, and he is currently a Senior Developer Advocate at Anaconda, inc. Valerio is well versed into open source software, and best software development practice, specifically focusing on scalable and reproducible machine learning pipelines. Valerio is an active member of the Python community: over the years he has led the organization of many international conferences like PyCon/PyData Italy/EuroPython, and EuroSciPy." +# +webinar-id: 68 +date: 2022-10-12T13:00-0400 +title: "Investing in Code Reviews for Better Research Software" +presenter-ids: [lestang-thibault, krzeminski-dominik, maggio-valerio] +topics: ["peer code review", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItduCuqjgtHt8hGWwuKgpGRSxOgZA1QVc +ecp-abbreviation: codereview +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: jsIheafEaD8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-068-codereview.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-068-codereview-qa.pdf +# +location: online +# +--- +Code review is a development practice that improves readability and maintainability of software projects, in addition to making collaboration easier and teamwork more effective. Typically, code review is a conversation between reviewer(s) and the author(s) of the code under review. The code is dissected and analyzed in order to find areas of improvement according to the focus of the review. Examples include, but are not limited to, readability, security or performance improvements. Despite code review being an effective tool for improving software quality, it is still not a standard practice within the scientific software development process. The webinar will detail the benefits that code review can bring to scientific software developers, particularly improvements in software quality, improved teamwork and knowledge transfer. The presenters will highlight common difficulties faced by researchers to set up, perform and maintain frequent code reviews, and they will discuss several approaches and good practices to mitigate these difficulties. The presenters will also describe common tools that make code reviews easier and give examples of how to use them effectively, while explaining a typical code development cycle with continuous integration and automatic code checks. diff --git a/_events-draft/hpcbp-069-managing-academic-software.md b/_events-draft/hpcbp-069-managing-academic-software.md new file mode 100644 index 0000000..ad0a017 --- /dev/null +++ b/_events-draft/hpcbp-069-managing-academic-software.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-11-09" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar069 +# +presenters: + - name: Sam Mangham + affiliation: University of Southampton + github-id: smangham + bio: "Sam Mangham is a Senior Research Software Engineer at the University of Southampton. He has an interdisciplinary background, working on fusion neutronics before moving on to PhD on to echo mapping of supermassive black holes as part of the Complex Systems Simulation Doctoral Training Centre. After graduating in 2018, he joined the University of Southampton’s Research Software Group, where he has been ever since. Though Sam’s background is with legacy HPC radiation physics codes, he is generalist in his role as an RSE – developing web platforms for the arts, software archaeology of ancient physics codes, and helping design machine learning pipelines. Sam is also a Trustee of the Society of Research Software Engineering, and helps to organise the UK RSE Conference." +# +webinar-id: 69 +date: 2022-11-09T13:00-0500 +title: "Managing Academic Software Development" +presenter-ids: [mangham-sam] +topics: ["release and deployment", "documentation", "strategies for more effective teams", "software sustainability", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsc-mhqD4vGpzCRfOBvYc6PfjCzSC9uwM +ecp-abbreviation: managing-academic-software +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: Pslf-_3PLW4 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-069-managingacademicsoftware.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-069-managingacademicsoftware-qa.pdf +# +location: online +# +--- +Developing academic software can be an unusual exercise, especially compared to traditional software development. The goals and inputs can be undefined and fluctuating, whilst the code itself has traditionally been a stepping stone – a byproduct on the way to papers, ending up ad-hoc, unplanned and undocumented. Fortunately, things are changing. There are tools and techniques that make it easier to design, use, distribute and cite scientific software. This webinar discusses approaches to managing the development and release of academic software, ranging from coding best practices and project boards, to development environments and automated documentation that can help you write sustainable code that is easy to use, cite and collaborate with and on. diff --git a/_events-draft/hpcbp-070-labnotebooks.md b/_events-draft/hpcbp-070-labnotebooks.md new file mode 100644 index 0000000..c86239f --- /dev/null +++ b/_events-draft/hpcbp-070-labnotebooks.md @@ -0,0 +1,40 @@ +--- +startdate: "2022-12-14" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar070 +# +presenters: + - name: Jared O'Neal + affiliation: Argonne National Laboratory + github-id: jared321 + bio: "Jared O’Neal is a principal scientific software developer in Argonne National Laboratory’s Mathematics and Computer Science division. He currently works on computational mathematics and science applications with an eye on improving processes to ensure productivity while maintaining scientific rigor. Jared has a background in physics and mathematics and had the pleasure of working as an instrumentation and systems engineer at the Paranal Observatory overlooking Chile’s Atacama desert." +# +webinar-id: 70 +date: 2022-12-14T13:00-0500 +title: "Lab Notebooks for Computational Mathematics, Sciences & Engineering" +presenter-ids: [oneal-jared] +topics: ["documentation", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdeqppz8oGpALQTX4A5OUekOd-nSjAw0 +ecp-abbreviation: labnotebooks +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: fWpI4S_dvhc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-070-labnotebooks.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-070-labnotebooks-qa.pdf +# +location: online +# +--- +As computational mathematics, science, and engineering problems become larger, more ambitious, and more complex, it is increasingly important to develop and use tools and techniques that ensure that computational research is based on a strong foundation of general, low-level scientific best practices. In this webinar, the speaker will relate his experience of transitioning from working in the worlds of experimental and observational sciences to the world of computational sciences as well as his experience adapting experimental tools and techniques to computational research. In particular, the speaker will focus on the role of lab notebooks in experimental sciences and present concrete examples to address the challenges associated with adapting lab notebooks to computational research. diff --git a/_events-draft/hpcbp-071-openscapes.md b/_events-draft/hpcbp-071-openscapes.md new file mode 100644 index 0000000..f3d3036 --- /dev/null +++ b/_events-draft/hpcbp-071-openscapes.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-01-11" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar071 +# +presenters: + - name: Julia Stewart Lowndes + affiliation: Openscapes + github-id: jules32 + bio: "Julia Stewart Lowndes, PhD is founding director of Openscapes. She is a marine ecologist and champion for making science more open, efficient, inclusive, and kind. Working at the intersection of actionable environmental science, data science, and open science, she is a Mozilla Fellow, National Science Foundation Better Scientific Software Fellow, and Senior Fellow at the National Center for Ecological Analysis and Synthesis (NCEAS) at the University of California Santa Barbara. Julia earned her PhD from Stanford University in 2012 studying drivers and impacts of Humboldt squid in a changing climate. Recent open science/R contributions include pieces in Scientific American, Nature, useR! Conference 2019, RStudio::Conf 2022, R for Excel Users, and the Tidy Data Illustrated Series." +# +webinar-id: 71 +date: 2023-01-11T13:00-0500 +title: "Openscapes: supporting better science for future us" +presenter-ids: [lowndes-juliastewart] +topics: ["documentation", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsf-6orjMoGA2DP-0K3a6mAjaWtMd50N8 +ecp-abbreviation: openscapes +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: HkayNzOVWRY + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-071-openscapes.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-071-openscapes-qa.pdf +# +location: online +# +--- +Openscapes champions open practices in environmental science to help uncover data-driven solutions faster. In this webinar the speaker will share how she transitioned from doing her own marine ecology research to founding Openscapes to support other researchers and grow the global Open Science movement. The speaker will share lessons learned from her work mentoring government, non-profit, and academic environmental and Earth teams, with specific stories from projects with NASA and NOAA Fisheries. The webinar will reuse parts of a recent keynote at RStudio::conf that was the global launch of Quarto, a new, open-source, scientific and technical publishing system. The webinar will include a demo on some features of Quarto for R and Python users and highlight how more reusing and less reinventing is critical for science. The speaker will also discuss how open source/science is a daily practice, and an important avenue to increase inclusion in science and contribute to the climate movement. diff --git a/_events-draft/hpcbp-072-warpx.md b/_events-draft/hpcbp-072-warpx.md new file mode 100644 index 0000000..7a6d844 --- /dev/null +++ b/_events-draft/hpcbp-072-warpx.md @@ -0,0 +1,42 @@ +--- +startdate: "2023-03-15" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar072 +# +presenters: + - name: Axel Huebl + affiliation: Lawrence Berkeley National Laboratory + github-id: ax3l + bio: "Axel Huebl is a computational physicist at Berkeley Lab. He is researching advanced particle accelerators with computational modeling tools, developing the Beam pLasma Accelerator Simulation Toolkit (BLAST) that includes applications such as the beam dynamics code ImpactX and the DOE Exascale Computing Project (ECP) application WarpX. Before joining Berkeley Lab in 2019, he was part of a team of undergraduates that made it in the ACM Gordon Bell finals in SC13, with the first particle-in-cell code running on the newly released Titan GPU cluster, called PIConGPU. Axel is a long-time user of scalable file formats and contributes to ECP libraries such as ADIOS2. For his applications, he also develops data reduction algorithms, including performance modeling, and interactive parallel data analysis. He co-authored and supervised the inception of the C++ performance portability framework Alpaka, the in situ visualization framework ISAAC and leads an open data standard, openPMD, which is now popular in plasma, beam and accelerator physics. For his early career work, Axel was awarded with the ACM/IEEE George Michael Memorial High Performance Computing Fellowship (at SC16), the FoMICS Prize for PhD Students (at PASC17), the IEEE-NPSS Particle Accelerator Science and Technology (PAST) Doctoral Student Award (at NAPAC22), large computing awards (ALCC PI/ERCAP PI/INCITE co-PI), and others. In 2022, he was co-first-author of the paper that was awarded the 2022 ACM Gordon Bell Prize at SC22." +# +webinar-id: 72 +date: 2023-03-15T13:00-0400 +title: "Our Road to Exascale: Particle Accelerator & Laser-Plasma Modeling" +presenter-ids: [huebl-axel] +topics: ["software engineering", "high-performance computing (hpc)", "performance at leadership computing facilities", "performance portability", "strategies for more effective teams", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItc-ihqzwoG0lIl3IHQtifYVYUyDVSZWQ +ecp-abbreviation: warpx +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: CJHRG-dc3eQ + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-072-warpx.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-072-warpx-qa.pdf +# +location: online +# +--- +Particle accelerators, among the largest, most complex devices, demand increasingly sophisticated computational tools for the design and optimization of the next generation of accelerators that will meet the challenges of increasing energy, intensity, accuracy, compactness, complexity and efficiency. It is key that contemporary software take advantage of the latest advances in computer hardware and scientific software engineering practices, delivering speed, reproducibility and feature composability for the aforementioned challenges. + +The webinar will discuss the experience of the developers of WarpX in the US DOE Exascale Computing Project (ECP), which led to the 2022 ACM Gordon Bell Prize. Including the first Exascale supercomputer Frontier, WarpX uses GPUs and CPUs at massive scale; research efforts have advanced particle-in-cell algorithms such as dynamic load balancing, block-structured mesh-refinement, and modern relativistic Maxwell solvers. The webinar will present strategies and results in performance portability. In particular, the webinar will discuss the team-of-teams approach for software co-design in AMReX, software architecture, quality assurance, developer & user productivity, and ecosystem interplay that has lifted up accelerator modeling activities to be fast, open, modular and sustainable over the long term. diff --git a/_events-draft/hpcbp-073-copa.md b/_events-draft/hpcbp-073-copa.md new file mode 100644 index 0000000..890a66a --- /dev/null +++ b/_events-draft/hpcbp-073-copa.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-04-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar073 +# +presenters: + - name: Jean-Luc Fattebert + affiliation: Oak Ridge National Laboratory + github-id: jeanlucf22 + bio: "Jean-Luc Fattebert is a research scientist in the Computational Sciences and Engineering Division at the Oak Ridge National Laboratory in Tennessee. His expertise is in high-performance computing, working at the intersection of material science and chemistry, numerical solvers and computer science. Prior to that, he obtained his PhD from the Swiss Federal Institute of Technology in Lausanne, Switzerland in 1997. He then joined North Carolina State University for two years as a postdoctoral researcher, before moving to the Center of Applied Scientific Computing at Lawrence Livermore National Laboratory where he became a research staff member in 2001. He joined ORNL in 2017." +# +webinar-id: 73 +date: 2023-04-12T13:00-0400 +title: "Facilitating Electronic Structure Calculations on GPU-based Exascale Platforms" +presenter-ids: [fattebert-jeanluc] +topics: ["software engineering", "high-performance computing (hpc)", "performance at leadership computing facilities", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsdu2trz4oHcvHfBiEco7RFJzPWwNfh3E +ecp-abbreviation: copa +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: T5JInOIMcdw + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-073-copa.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-073-qa.pdf +# +location: online +# +--- +GPUs accelerators offer the prospect of speeding up ab initio molecular dynamics and other large-scale first-principles atomistic simulations. Taking advantage of these devices is, however, not a trivial task given their specificities. Some algorithms struggle, while others thrive with the high level of thread concurrency available on modern GPUs. The PROGRESS and BML libraries, developed within ECP’s Co-design Center for Particle Applications (CoPA) project, allow electronic structure codes to offload their most expensive kernels, with a unified interface for various matrix formats and computer architectures. The webinar will focus on implementations and algorithmic choices made in those libraries, and lessons learned while trying to achieve performance portability on exascale platforms. Specifically, the webinar will discuss eigensolvers and their alternatives, as well as strong scaling in fast time-to-solution in molecular dynamics. diff --git a/_events-draft/hpcbp-074-qmcpack.md b/_events-draft/hpcbp-074-qmcpack.md new file mode 100644 index 0000000..a6340de --- /dev/null +++ b/_events-draft/hpcbp-074-qmcpack.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-05-10" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar074 +# +presenters: + - name: Paul Kent + affiliation: Oak Ridge National Laboratory + github-id: prckent + bio: "Paul Kent is distinguished staff at Oak Ridge National Laboratory, PI of the QMCPACK applications development project within DOE’s Exascale Computing Project (ECP), and director of the Center for Predictive Simulation of Functional Materials, a DOE BES Computational Materials Sciences Center. He is a Fellow of the APS and previous ACM Gordon Bell prize winner." +# +webinar-id: 74 +date: 2023-05-10T13:00-0400 +title: "Lessons Learned Developing Performance Portable QMCPACK" +presenter-ids: [kent-paul] +topics: ["software engineering", "high-performance computing (hpc)", "performance at leadership computing facilities", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJIsfu2tpj4tH5IPhwHyts07waBFxGIAvYo +ecp-abbreviation: qmcpack +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: PWuRlpbkeXQ + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-074-qmcpack.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-074-qmcpack-qa.pdf +# +location: online +# +--- +During DOE’s Exascale Computing Project the open source QMCPACK code has been redesigned and reimplemented to run portably and performantly on multiple vendors GPUs as well as CPUs. The QMCPACK code implements Quantum Monte Carlo algorithms to predict the properties of materials with benchmark accuracy. The new implementation has now fully replaced the prior non-portable GPU solution. This webinar will outline some of the design considerations and new algorithms implemented both to run efficiently and to reduce burdens on the developers and maintainers. A key factor has been the adoption of modern development practices, including an extensive test suite. This has accelerated development, improved code quality, and also enabled isolation of problems in the wider HPC software stack, including in compilers and numerical libraries. The webinar will summarize these strategies and other recommendations for HPC application developers and facilities. diff --git a/_events-draft/hpcbp-075-openssf.md b/_events-draft/hpcbp-075-openssf.md new file mode 100644 index 0000000..c2c8d98 --- /dev/null +++ b/_events-draft/hpcbp-075-openssf.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-06-14" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar075 +# +presenters: + - name: Roscoe A. Bartlett + affiliation: Sandia National Laboratories + github-id: bartlettroscoe + bio: "Roscoe A. Bartlett earned his PhD in chemical engineering from Carnegie Mellon University researching numerical approaches for solving large-scale constrained optimization problems applied to chemical process engineering. At Sandia National Laboratories and Oak Ridge National Laboratory, he continued research and development in constrained optimization, sensitivity methods, and large-scale numerical software design and integration for computational science & engineering (CSE). Dr. Bartlett currently focuses on software engineering challenges in CSE as well as the development of build, test, and integration software and processes for CSE." +# +webinar-id: 75 +date: 2023-06-14T13:00-0400 +title: "The OpenSSF Best Practices Badge Program" +presenter-ids: [bartlett-roscoea] +topics: ["software engineering", "software process improvement", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItdeGqpjMiHOTBuRWq1cMHIACOiFHNhz0 +ecp-abbreviation: openssf +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: -GkQw9UPaI8 + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-075-openssf.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-075-openssf-qa.pdf +# +location: online +# +--- +The Linux Foundation’s [OpenSSF Best Practices Badge Program](https://bssw.io/items/openssf-best-practices-badge-program) represents an impressive collection of the open source community’s knowledge base for creating, maintaining, and sustaining robust, high quality, and (most importantly) secure open source software. At its foundation is a featureful “Badge App” website, which provides a database of projects that document what best practices they have adopted and supporting evidence. This set of best practices (along with the detailed documentation and supporting justifications for each item) also serves as an incremental learning tool and as a foundation for incremental software process and quality improvements efforts. The webinar will provide an overview of this effort and describe some of its surprising benefits. The webinar will also describe how the OpenSSF Best Practices Badge Program can be used to help continue the recent advances in software quality and sustainability efforts in the computational science and engineering community going forward. diff --git a/_events-draft/hpcbp-076-cleanssw.md b/_events-draft/hpcbp-076-cleanssw.md new file mode 100644 index 0000000..05bc732 --- /dev/null +++ b/_events-draft/hpcbp-076-cleanssw.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-07-12" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar076 +# +presenters: + - name: Nick Murphy + affiliation: Center for Astrophysics, Harvard & Smithsonian + github-id: namurphy + bio: "Nick Murphy is an astrophysicist and research software engineer at the Center for Astrophysics in Cambridge, Massachusetts. Nick attended the University of Michigan as an undergraduate before heading to the University of Wisconsin for graduate school in astronomy. Most of Nick’s research has involved simulating plasma processes in the solar atmosphere. Nick co-founded the American Astronomical Society’s Working Group on Accessibility and Disability, and is now a member of the APS Division of Plasma Physics Diversity Equity and Inclusion Organizing Collective Committee. Nick is one of the core contributors to PlasmaPy: an open source Python package for plasma research and education." +# +webinar-id: 76 +date: 2023-07-12T13:00-0400 +title: "Writing Clean Scientific Software" +presenter-ids: [murphy-nick] +bsswio-topics: [“design”, “software engineering”, “documentation”, “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItf-6gqjMiGLu78K17z3fJECNl3pNZWSs +ecp-abbreviation: cleanssw +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: Q6Ksu_uX3bc + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-076-cleanssw.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-076-cleanssw-qa.pdf +# +location: online +# +--- +Most scientists are largely self-taught as programmers. Even many of us who spend most of our time coding have never had formal training in writing software. This webinar is intended for students and scientists who have some experience writing code but who have had to learn mostly on their own. The webinar will describe tips and strategies on how to write readable, reusable, and maintainable code. These tips include writing short functions that do exactly one thing with no side-effects, and measuring the length of a variable name by the time needed to understand its meaning rather than by number of characters. The webinar will describe strategies for restructuring a complicated function into smaller and more manageable chunks, and provide tips on how to make the best use of comments and error messages. Overall, the webinar will embolden the Computational Science and Engineering (CS&E) community to think of code as communication. diff --git a/_events-draft/hpcbp-077-ci4hpc.md b/_events-draft/hpcbp-077-ci4hpc.md new file mode 100644 index 0000000..98fa87d --- /dev/null +++ b/_events-draft/hpcbp-077-ci4hpc.md @@ -0,0 +1,40 @@ +--- +startdate: "2023-08-09" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar077 +# +presenters: + - name: Ryan Prout + affiliation: Oak Ridge National Laboratory + github-id: proutrc + bio: "Ryan Prout is the ECP Software Deployment Lead. He works with operational staff across labs to provide software integration and continuous integration support to ECP software technology teams." +# +webinar-id: 77 +date: 2023-08-09T13:00-0400 +title: "Infrastructure for High-Fidelity Testing in HPC Facilities" +presenter-ids: [prout-ryan] +bsswio-topics: ["continuous integration testing", "testing", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItc-uqqTwuH3yNhXwGRlJLnfb4v7-gUnc +ecp-abbreviation: ci4hpc +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: YNQ7qGtWGSI + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-077-ci4hpc.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-077-ci4hpc-qa.pdf +# +location: online +# +--- +The Exascale Computing Project (ECP) is investing heavily in software for exascale systems, as can be seen in the many tools, libraries and software components within ECP. In order to boost software integration across computing facilities, ECP has developed infrastructure and tools for high-fidelity testing. This infrastructure is made accessible to ECP software technology developers to provide a trusted and efficient testing environment that employs continuous integration (CI). At the core of the ECP-enabled testing infrastructure is the Jacamar CI tool. This tool allows us to link multi-tenant HPC systems to Gitlab CI workflows. This webinar will provide an overview of the ECP testing infrastructure, discuss what this could look like post-ECP, and how it could benefit other HPC facilities. diff --git a/_events-draft/hpcbp-078-simplifyingscipy.md b/_events-draft/hpcbp-078-simplifyingscipy.md new file mode 100644 index 0000000..e5f20ca --- /dev/null +++ b/_events-draft/hpcbp-078-simplifyingscipy.md @@ -0,0 +1,37 @@ +--- +startdate: "2023-09-13" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar078 +# +presenters: + - name: Amiya Maji + affiliation: Purdue University + github-id: amaji + bio: "Amiya Maji is a Lead Computational Scientist at Rosen Center for Advanced Computing (RCAC) at Purdue University, where he collaborates with faculty and researchers from various scientific domains to optimize their computational and data analysis workflows. Being an avid advocate for software reliability and security, Amiya has developed several algorithms and tools for software testing both during his graduate studies at Purdue ECE and then at RCAC. He co-invented the “Testpilot” regression testing framework at Purdue (HUST17) and also developed the “conda-env-mod” tool for easy deployment of scientific Python applications (HUST20). Amiya currently leads the software build automation project for Purdue’s community clusters. Amiya’s contributions to the Community Cluster program were recognized by the Bravo Award (2020) given to Purdue employees for outstanding achievement. Amiya also served as a fellow of Trusted CI (2021) where he promoted best practices for secure computing." +# +webinar-id: 78 +date: 2023-09-13T13:00-0400 +title: "Simplifying Scientific Python Package Installation and Usage" +presenter-ids: [maji-amiya] +bsswio-topics: ["release and deployment", "development tools", "high-performance computing (hpc)", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItd-GuqDMjH72ztVT-EYb-lh5hQUtEV0g +ecp-abbreviation: simplifyingscipy +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: CqUr5BnlWZw + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-078-simplifyingscipy.pdf + - label: Q&A + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-078-simplifyingscipy-qa.pdf +--- +With the growing popularity of Python, installation and management of Python packages in HPC environments is emerging as a critical problem for researchers; the problem is exacerbated by the need to provide consistency across traditional batch workloads and interactive notebooks. This webinar will discuss how to simplify scientific Python package installation by streamlining environment management, dependency tracking, and runtime customizations through easy-to-use tools. The webinar will discuss challenges for installing Python packages in HPC environments and present the best practices suggested by various HPC centers. Many of these best practices have been incorporated into a tool, conda-env-mod, developed by the speaker and his collaborators. HPC centers can further customize the tool and its module templates to incorporate additional software dependencies and provide descriptive help messages. The deployment of the tool has significantly reduced errors and enabled sharing of Python package installations among users. The webinar will give an overview of installing Python packages with `conda-env-mod`. diff --git a/_events-draft/hpcbp-079-hacc.md b/_events-draft/hpcbp-079-hacc.md new file mode 100644 index 0000000..23e235f --- /dev/null +++ b/_events-draft/hpcbp-079-hacc.md @@ -0,0 +1,37 @@ +--- +startdate: "2023-10-11" +time: "01:00 pm - 02:00 pm EDT" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar079 +# +presenters: + - name: Esteban Rangel + affiliation: Argonne National Laboratory + github-id: steverangel + bio: "Esteban Rangel is a member of the HACC development team. He joined the Computational Science (CPS) division at Argonne National Laboratory as an Assistant Computational Scientist in 2021. Prior to joining CPS, he was a postdoctoral researcher at the Argonne Leadership Computing Facility (ALCF) working on porting HACC’s hydrodynamics solvers to the Aurora supercomputer. He began contributing to the HACC codebase as a Ph.D. student at Northwestern University, where much of the work towards his thesis was designing and implementing scalable analysis software for N-body cosmological simulations." +# +webinar-id: 79 +date: 2023-10-11T13:00-0400 +title: "Taking HACC into the Exascale Era: New Code Capabilities, and Challenges" +presenter-ids: [rangel-esteban] +bsswio-topics: [“performance portability”, “software engineering”, "high-performance computing (hpc)", "performance at leadership computing facilities", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItfuiorj0jEhR5uh36EoYBKMWAqvw3-Sg +ecp-abbreviation: hacc +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +artifacts: + - label: Recording + format: YouTube + yt-video-id: E0sEUKmQagw + - label: Slides + format: PDF + url: /assets/artifacts/hpcbp/hpcbp-079-hacc.pdf +# - label: Q&A +# format: PDF +# url: /assets/artifacts/hpcbp/hpcbp-076-cleanssw-qa.pdf +--- +HACC (Hardware/Hybrid Accelerated Cosmology Code) is a well-established code within the US Department of Energy community, and with a long history — having run on every flagship computing system for over a decade. Often participating in early-access programs for upcoming systems, an ongoing challenge for HACC developers is to not only contend with state-of-the-art architectures, but also with their initially supported, and often novel, programming models. The increased computing power brought about by today’s exascale systems has allowed HACC to support additional baryonic physics through a newly developed Smoothed Particle Hydrodynamics (SPH) formalism called Conservative Reproducing Kernel (CRK). This webinar will discuss the challenges faced in preparing HACC for multiple exascale systems while simultaneously adding additional code capabilities, with ongoing development, all the while with a central focus on performance. diff --git a/_events-draft/hpcbp-080-ideas.md b/_events-draft/hpcbp-080-ideas.md new file mode 100644 index 0000000..f2f4432 --- /dev/null +++ b/_events-draft/hpcbp-080-ideas.md @@ -0,0 +1,45 @@ +--- +startdate: "2023-11-08" +time: "01:00 pm - 02:00 pm EST" +type: Webinar +series: + - "HPC Best Practices Webinars" +activities: + - "IDEAS-ECP" +link-id: webinar080 +# +presenters: + - name: David E. Bernholdt + affiliation: Oak Ridge National Laboratory + github-id: bernhold + bio: | + David Bernholdt is a Distinguished R&D Staff Member in the Computer Science and Mathematics Division at Oak Ridge National Laboratory. His research interests, broadly speaking, are in making it easier and more productive to develop and use scientific software, particularly on high-performance computers. This includes work in programming models and programming languages, software design, software engineering, and related areas. He began his scientific career as a computational scientist before transitioning to a focus on computer science topics and has continued to work with computational science and engineering projects in various domains throughout his career to “ground” his other research. + + David has leadership roles in multiple projects in ECP and the Scientific Discovery through Advanced Computing (SciDAC) program, and he leads the Programming Environment and Tools area for the Oak Ridge Leadership Computing Facility (OLCF). He has served as the ORNL PI and Outreach Lead for both the IDEAS-Classic and IDEAS-ECP projects and is now active in several software stewardship projects under the developing DOE/ASCR Next-Generation Scientific Software Technologies (NGSST) program. + +# +webinar-id: 80 +date: 2023-11-08T13:00-0500 +title: "A cast of thousands: How the IDEAS Productivity project has advanced software productivity and sustainability" +presenter-ids: [bernholdt-davide] +bsswio-topics: ["projects and organizations", “online learning”] +registration-url: https://exascaleproject.zoomgov.com/meeting/register/vJItd-6vqTwiGAPgULTsN_C4CLg76smd5H8 +ecp-abbreviation: ideas-ecp +qa-public-url: http://bit.ly/HPCBP-QA +survey-public-url: http://bit.ly/HPCBP-feedback +# artifacts: +# - label: Recording +# format: YouTube +# yt-video-id: Q6Ksu_uX3bc +# - label: Slides +# format: PDF +# url: /assets/artifacts/hpcbp/hpcbp-076-cleanssw.pdf +# - label: Q&A +# format: PDF +# url: /assets/artifacts/hpcbp/hpcbp-076-cleanssw-qa.pdf +--- +The US Department of Energy’s Exascale Computing Project (ECP) has been an unprecedented effort to establish a software ecosystem spanning 24 scientific applications, 6 co-design centers, and the supporting software technologies needed to enable leading-edge computational science and engineering research on the world’s first generation of exascale computers. ECP also presented an unprecedented challenge from the standpoint of developer productivity and the sustainability of all of that software, which led to the establishment in 2017 of the second instance of the IDEAS Productivity project, IDEAS-ECP. + +Considering the scale of the ECP, involving nearly one thousand people in total, members of the IDEAS-ECP project had to think creatively about how to help so many software teams across the ECP “up their game” with respect to their software practices. This webinar will describe some of the strategies that the IDEAS team has used to pursue this goal and some of the impacts our work has had—as we are partnering with the ECP and the broader community to reduce technical risk, improve overall scientific productivity, and build a firm foundation for tackling even greater challenges in next-generation computation science. + +We will wrap up with some “lessons learned” from the IDEAS experience about software stewardship and briefly consider some of the possible futures for the DOE scientific software community. diff --git a/assets/artifacts/hpcbp/PythoninHPCGoogleDoc.pdf b/assets/artifacts/hpcbp/PythoninHPCGoogleDoc.pdf new file mode 100644 index 0000000..d6d2834 Binary files /dev/null and b/assets/artifacts/hpcbp/PythoninHPCGoogleDoc.pdf differ diff --git a/assets/artifacts/hpcbp/hpcbp-059-scisoftecosystem.pdf b/assets/artifacts/hpcbp/hpcbp-059-scisoftecosystem.pdf new file mode 100644 index 0000000..7a6cc39 Binary files /dev/null and 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https://www.exascaleproject.org/event/embracingdifference (under “Materials from the Webinar”) • Q&A (google doc): http://bit.ly/HPCBP-QA • Help us improve the series: http://bit.ly/HPCBP-feedback +09:38:38 From Osni Marques to Everyone: + Poll: https://pollev.com/maryannleung407 +09:38:39 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:03:37 From Osni Marques to Everyone: + • Slides: https://www.exascaleproject.org/event/embracingdifference (under “Materials from the Webinar”) • Q&A (google doc): http://bit.ly/HPCBP-QA • Help us improve the series: http://bit.ly/HPCBP-feedback +10:03:48 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:04:53 From Mark Miller to Everyone: + Can you drag the Zoom control panel off the slide? +10:05:15 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:05:35 From Mark Miller to Everyone: + Someone is in a boat +10:05:53 From Mark Miller to Everyone: + Antartica? +10:06:19 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:06:20 From Jean Sexton to Everyone: + E +10:06:39 From Cameron Rutherford to Everyone: + I can’t pick Mathematics & Computer Science. I don’t just have one background 🙁 +10:07:30 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:07:50 From Mark Miller to Everyone: + Perl...its the best ;) +10:08:00 From Alicia Guite to Everyone: + C++ is fighting +10:08:01 From Chase Phelps to Everyone: + jokes, lol +10:08:23 From Mark Miller to Everyone: + Perl makes the easy things easy and the hard things possible. +10:09:17 From William Godoy to Everyone: + Male ~ Python % ? +10:10:15 From Peter McCorquodale to Everyone: + depends on how you define "disability" +10:10:18 From Alicia Guite to Everyone: + ^^^ +10:11:19 From Mark Miller to Everyone: + I would likely fit some definition of disabled before my first cup of coffee in the morning. +10:11:47 From Alicia Guite to Everyone: + Caffeine addicts are showing themselves +10:12:07 From Abu Asaduzzaman to Everyone: + Difference between Chai and Tea??? +10:12:11 From Peter McCorquodale to Everyone: + I await the analysis of correlations between answers to these questions. ;-) +10:12:12 From David Wright to Everyone: + @Alicia - Good call! +10:12:35 From Osni Marques to Everyone: + • Slides: https://www.exascaleproject.org/event/embracingdifference (under “Materials from the Webinar”) • Q&A (google doc): http://bit.ly/HPCBP-QA +10:16:21 From Kelley Gaske to Everyone: + https://pollev.com/maryannleung407 +10:17:43 From Mark Miller to Everyone: + Does fortran vs. C++ count as tech diversity? +10:18:40 From Cameron Rutherford to Everyone: + Every = exceptionally very +10:18:50 From Mark Miller to Everyone: + ;) +10:19:12 From Eric Tucker to Everyone: + Loving the unintentional typo… yup… every = every very difficulty🙂 +10:19:21 From Peter McCorquodale to Everyone: + Impossible to answer this without being given a sense of what technical areas should be considered “same" or "different”. +10:19:33 From Mark Miller to Everyone: + Just having them sit in meetings and read email...very easy...having them contribute productively...thats a bit harder ;) +10:19:42 From Alicia Guite to Everyone: + Agree w Peter +10:19:45 From William Godoy to Everyone: + This question illustrates why internships are so important :) +10:21:02 From Amanda Lee to Everyone: + Yes agree with William! ^ +10:21:05 From Eric Tucker to Everyone: + Agred +10:22:02 From Mark Miller to Everyone: + Did someone put "cray" there ;) +10:22:24 From William Godoy to Everyone: + I put tech…..I had interns getting offers from tech not National Labs :( +10:22:34 From Mark Miller to Everyone: + I see "unix" there too...very funny +10:23:58 From Lisa Frerichs to Osni Marques(Direct Message): + Could you ask Mary Ann to move her Zoom bar? +10:24:12 From Lisa Frerichs to Osni Marques(Direct Message): + Maybe that would be too much of an interruption. +10:24:44 From Peter McCorquodale to Everyone: + “people who have historically been excluded" is short for "people belonging to GROUPS that have historically been excluded", isn't it? +10:25:09 From Mark Miller to Everyone: + I think equity can even mean intentional "bias" (in a new direction) to undue the effects of historical bias +10:25:19 From Peter McCorquodale to Everyone: + rather than different individuals' individual histories +10:26:11 From Mark Miller to Everyone: + @Peter...makes sense to me. +10:27:08 From Mark Miller to Everyone: + Just took a screenshot of that! 👍🏻 +10:29:42 From Eric Tucker to Everyone: + I believe true inclusive behaviors don’t solely address the issues arising from historical exclusion of whole groups/classes of people, they enable every team member to be included in the team as a full, authentic expression of their individual self, experiences and capabilities. +10:31:23 From Peter McCorquodale to Everyone: + Does "underrepresented group” in a field mean a group X such that the % of people working in that field belonging to group X is less than the % of people in the general population belonging to group X? +10:31:35 From Mark Miller to Everyone: + @Eric...maybe you are touching on the difference between inclusion and equity. +10:33:32 From David Wright to Everyone: + @Peter, I like your definition, but I don't believe that people do the math very often, just assume. +10:33:43 From William Godoy to Everyone: + @Peter FYI: https://www.pewresearch.org/science/2021/04/01/stem-jobs-see-uneven-progress-in-increasing-gender-racial-and-ethnic-diversity/ +10:34:32 From Dayle Smith to Everyone: + thanks William +10:34:40 From Peter McCorquodale to Everyone: + Well, the dictionary definition of "underrepresented" is "not as well represented as SHOULD be”. +10:35:23 From Mark Miller to Everyone: + @Peter...my personal pref. is "historically and systematically marginalized" instead of "underrepresented". The former is the (major) cause of the latter and knowing that WHY is important IMHO to informing dialog about underrepresentation. +10:35:47 From Eric Tucker to Everyone: + Could be Mark, I still consider myself a learner, not a leader, when it comes how to organize my thinking on this topic. +10:36:42 From Mark Miller to Everyone: + @Eric...not matter what one's credentials are, I think we are all "learners" on this topic and always will be IMHO. +10:37:46 From Peter McCorquodale to Everyone: + Sources for “research” on more diversity -> more innovation? +10:39:30 From Eric Tucker to Everyone: + Here’s a link to an HBR article on the subject Peter: https://hbr.org/2013/12/how-diversity-can-drive-innovation +10:40:57 From Eric Tucker to Everyone: + This paper also has a lot of links to historical research on this subject: https://www.sciencedirect.com/science/article/abs/pii/S0048733310002398 +10:41:04 From Peter McCorquodale to Everyone: + Eric, thanks. I see it mentions correlation, but not causation. The causation might even go in the reverse direction. +10:41:29 From Alicia Guite to Everyone: + One thing I appreciate as an individual part of an "underrepresented group" in computer science is how merit-based the field has shown itself to be so far. My perspective has always been respected and appreciated +10:41:58 From Abu Asaduzzaman to Everyone: + Nice presentation! +10:42:05 From Eric Tucker to Everyone: + Agreed Peter. I think the second link has some links to more rigorous analysis +10:44:14 From Aissata Diop to Everyone: + This was great! I loved the quote that explains the difference between inclusion and diversity. How to respond to micro agressions? +10:47:16 From Mark Miller to Everyone: + My own personal live experience on diversity...when I am asked to describe a piece of my work to my wife (degrees in social sciences) she asks questions I never thought to ask and sometimes have no answer to. +10:47:35 From Peter McCorquodale to Everyone: + It's pretty difficult for a group to work together when they don't speak a common language. So that kind of homogeneity is beneficial. +10:47:41 From Wes Coomber to Everyone: + Mary Great presentation 👍 and I like your zoom background too. +10:47:50 From Mark Miller to Everyone: + Delloite study, https://www2.deloitte.com/us/en/insights/deloitte-review/issue-22/diversity-and-inclusion-at-work-eight-powerful-truths.html +10:48:52 From Alicia Guite to Everyone: + @Peter, the homogeneity would likely come from having a common goal +10:49:01 From Aissata Diop to Everyone: + Thank you! +10:49:05 From Eric Tucker to Everyone: + I agree Mark, I find tremendous value in having to describe my work to as many different people with as many different perspective as possible. It makes me better at being a clear communicator and ensures the underlying ideas are durable and valuable. +10:50:43 From Mark Miller to Everyone: + @Peter...yes there is great amount of work that says when a team is asked to adopt new practices, initially they are less productive...it takes time to fully learn...once competence in the practice is attained...productivity exceeds where it was before the practice was adopted. I think the same is true with adopting inclusive practices. I've watched as another team learned to work with a neurodivers individual and it was initially frustrating for many involved. That transient died out and now things are going great and very rewarding. +10:51:48 From William Godoy to Everyone: + I actually enjoy working with interns as they show me cool new technologies that I didn't grow up with I can incorporate into my work. Breaking my own homogeneity is crucial. +10:54:43 From Felix Rojas to Everyone: + Sorry all my zoom crashed :( +10:57:06 From Aissata Diop to Everyone: + It was easy +10:57:36 From Vijayalakshmi Saravanan to Everyone: + Eay +10:57:40 From Vijayalakshmi Saravanan to Everyone: + *Easy +10:57:44 From Felix Rojas to Everyone: + My zoom crashed when I was chating, but this are the kind of things we need to overcome to achieve self assembly :) +10:57:59 From Mark Miller to Everyone: + 😂 +11:02:52 From Eric Tucker to Everyone: + Sorry, I don’t think my rev of zoom supports participation in breakouts. +11:15:30 From Eric Tucker to Everyone: + Sure enough… I have underlying OS issue. Definitely couldn’t upgrade OS and Zoom in <15 min 🙂 +11:18:13 From Mark Miller to Everyone: + Who wants to speak for "Fig"...I think we need a Fig lover to do that ;) +11:18:28 From Alicia Guite to Everyone: + 👍 +11:20:04 From Alicia Guite to Everyone: + That's grim lol +11:22:53 From Amanda Lee to Everyone: + team mascot! +11:23:07 From Mark Miller to Everyone: + 👍🏻 +11:23:27 From Mark Miller to Everyone: + Power generator too ;) +11:23:41 From Alexia Arthur to Everyone: + 👌🏾 +11:25:44 From Osni Marques to Everyone: + Thank you for attending today’s webinar! The next webinar in the HPC-BP series will be on July 6: Growing preCICE from an as-is Coupling Library to a Sustainable, Batteries-included Ecosystem  https://www.exascaleproject.org/event/precice-ecosystem +11:25:45 From Mark Miller to Everyone: + Thanks Alicia +11:26:10 From Alicia Guite to Everyone: + My pleasure. Team fig! +11:31:42 From Mark Miller to Everyone: + I thought about gaming the poll by having 3 different laptops open to it ;) +11:32:26 From Aissata Diop to Everyone: + Thank you this was both informative and fun! +11:32:31 From Tanzima Islam to Everyone: + thank you so much Mary Ann! +11:32:40 From William Godoy to Everyone: + Thanks @Mary Ann! +11:32:41 From Kristen Dawson to Everyone: + Thank you! +11:32:42 From Mark Miller to Everyone: + ❤️ +11:32:43 From vivian huangfu to Everyone: + Thank you!!! +11:32:47 From Alexia Arthur to Everyone: + Thank you! +11:32:55 From Sayef Azad Sakin to Everyone: + Thank you! +11:32:56 From Knia Williams to Everyone: + Thank you +11:32:59 From Nowshin Nawal to Everyone: + Thank you! +11:33:04 From Keisha Moore to Everyone: + Thank you all for joining! +11:33:26 From Serges Love Teutu Talla to Everyone: + Thank you so much for this great presentation +11:33:51 From Akram Mohammed to Everyone: + Thanks everyone!! +11:34:52 From Isabelle Kemajou-Brown to Everyone: + Thank you for the presentation +11:35:52 From Jason Woods to Everyone: + Well said +11:36:35 From Mark Miller to Everyone: + Eventually, you get more comfortable with yourself and with "others" and the exhuastion feleling goes away +11:37:36 From Jason Woods to Everyone: + Power trips +11:37:41 From Mark Miller to Everyone: + Nerds rule the world (via algorithms) +11:39:51 From Mark Miller to Everyone: + Thanks for sharing that Prof. Mondy 😀 +11:42:00 From Mark Miller to Everyone: + Polls were fun! I like drawing the "small step" from technical diversity to people diversity. +11:44:40 From Alicia Guite to Everyone: + @Trey, I think just asking that question to your interns would in its own right incite them to stay +11:46:07 From Trey White to Everyone: + Good idea, thanks, @Alicia. +11:47:23 From Alicia Guite to Everyone: + I'm going to have to head out, but it was a pleasure being part of this event. Looking forward to seeing all of you again soon! +11:48:04 From Aman Rani to Everyone: + Thank you!! +11:48:11 From Margaret Ajuwon to Everyone: + Thank you +11:48:11 From Felix Rojas to Everyone: + Thanks all for this space and opportunity :) +11:48:17 From Diego Roa to Everyone: + thank you! diff --git a/assets/artifacts/hpcbp/hpcbp064-embracingdifference.pdf b/assets/artifacts/hpcbp/hpcbp064-embracingdifference.pdf new file mode 100644 index 0000000..db5d94a Binary files /dev/null and b/assets/artifacts/hpcbp/hpcbp064-embracingdifference.pdf differ diff --git a/assets/artifacts/hpcbp/hpcbp065-precice-qa.pdf b/assets/artifacts/hpcbp/hpcbp065-precice-qa.pdf new file mode 100644 index 0000000..8195f08 Binary files /dev/null and b/assets/artifacts/hpcbp/hpcbp065-precice-qa.pdf differ diff --git a/assets/artifacts/hpcbp/hpcbp065-precice.pdf b/assets/artifacts/hpcbp/hpcbp065-precice.pdf new file mode 100644 index 0000000..8e649c8 Binary files /dev/null and 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