Fork me on GitHub

New Repo: ATS

May 10, 2022 (new-repo)

ATS (Automated Testing System) is a Python-based tool for automating the running of an application’s tests across a broad range of high-performance computers. ATS features include generating and comparing plot files, testing code correctness and performance with different software libraries and compiler configurations, and archiving metrics related to each test run. The tool is flexible enough for experts and non-experts alike. Documentation is available, and more information about how LLNL uses ATS can be found on the Computing website.

Dev Day Returns on July 21

May 08, 2022 (event)

LLNL’s sixth annual Developer Day is scheduled for July 21 in a hybrid format. Dev Day brings together software developers from across the Lab, highlighting projects under development and sharing best practices. Presentations will fall into two categories: (1) 5-minute lightning talks that cover an interesting discovery related to software, and (2) 15-minute quick takes on various topics. A career-focused panel discussion will also be part of the day’s agenda. Read a recap of last year’s virtual event.

LLNL at ISC22

May 06, 2022 (event)

ISC High Performance Conference (ISC22) returns on May 29 through June 2, with in-person events held in Hamburg, Germany. The event brings together the HPC community—from research centers, commercial companies, academia, national laboratories, government agencies, exhibitors, and more—to share the latest technology of interest to HPC developers and users. View LLNL’s lineup of tutorials, BOFs, and workshops.

LLNL's Spring Hackathon (and 32nd Overall) Coming Up

May 06, 2022 (event)

Held since 2012, LLNL’s hackathons are 24-hour opportunities to brainstorm, foster creativity, prototype, and explore. Participants work in groups or individually and often strive to learn new skills, programming languages, and tools in service to LLNL’s missions. This year’s spring event (May 26-27) will be held in person at the Livermore Valley Open Campus. Sponsors are two Computing divisions: Enterprise Applications Services and National Ignition Facility Computing.

Flux 0.39.0 Released

May 06, 2022 (release)

Flux is a flexible framework for resource management consisting of a suite of projects, tools, and libraries which may be used to build site-custom resource managers for HPC centers. Version 0.39.0 includes new features to get all job attributes, track protocol changes, and add color and highlight, plus testsuite updates and more.

Learn more:

New RADIUSS Catalog and Repo

May 03, 2022 (new-repo) (this-website)

The RADIUSS project has a new look including an About page and an interactive catalog of open-source products. These new web pages are managed in a dedicated repo under the LLNL GitHub organization. RADIUSS aims to develop and deploy a common base of foundational scientific software with opt-in adoption from LLNL applications in order to reduce long-term software costs and increase agility.

RAJAPerf 0.12.0 Released

May 02, 2022 (release)

The RAJA performance suite (RAJAPerf) is designed to explore performance of loop-based computational kernels found in HPC applications. It is used to assess, monitor, and compare runtime performance of kernels implemented using RAJA and variants implemented using standard or vendor-supported parallel programming models directly. The v0.12.0 release adds new command line options, basic MPI support, and new kernels, as well as updated versions of RAJA and BLT submodules.

Learn more:

Hatchet 2022.1.0 Released

April 28, 2022 (release)

Hatchet is a Python-based library that allows Pandas dataframes to be indexed by structured tree and graph data. This release catches Hatchet up to the new version nomenclature for the RAJA Portability Suite, which has changed format to indicate year, month, and patch number. New features include query language extensions, interactive visualization enhancements, and new color maps for terminal tree visualization. Additionally, the release has changes to existing APIs as well as updated tutorials and documentation.

Learn more:

Exascale Computing Project Community BOF Days

April 25, 2022 (event)

The Exascale Computing Project (ECP) 2022 Community Birds-of-a-Feather (BOF) Days will take place May 10–12 with multiple sessions per day. The BOF Days provide an opportunity for the HPC community to engage with ECP teams to discuss latest development efforts. Each BOF will be a 60- to 90-minute session on a given topic, with a brief overview followed by Q&A. All sessions will be conducted via Zoom. View the schedule; each session has its own registration link.

CEED's Sixth Annual Meeting Coming in August

April 25, 2022 (event)

As part of the Exascale Computing Project (ECP), the Center for Efficient Exascale Discretizations (CEED) is a research partnership between two U.S. Department of Energy laboratories and five universities. LLNL leads the Center. All of CEED’s software is open source.

CEED will hold its sixth annual meeting (CEED6AM) on August 9-11 in a hybrid format: in-person at the Siebel Center for Computer Science on the University of Illinois Urbana-Champaign campus in Urbana and virtually using ECP Zoom for videoconferencing and Slack for side discussions. Learn more on the event website and register by July 25.

MFEM Named a NumFOCUS Affiliate Project

April 24, 2022 (story)

NumFOCUS is a nonprofit organization that promotes and supports open source scientific computing projects, such as Jupyter, Julia, and NumPy. NumFOCUS affiliate projects are “scientifically oriented, open, and kind,” which means they contribute to the advancement of scientific research, are published under a standard open source license, seek engagement with the public, and openly state their values and standards for the project community. MFEM, a scalable finite element methods library led by an LLNL team, was recently selected to join the list of NumFOCUS affiliate projects, broadening the project’s exposure and potential user and contributor community.

SUNDIALS 6.2.0 Released

April 22, 2022 (release)

SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. This minor release includes

Learn more:

New Repo: AMM

April 21, 2022 (new-repo)

AMM, which stands for Adaptive Multilinear Meshes, is a new framework to represent piecewise multilinear volumetric data using mixed-precision adaptive meshes. AMM is designed to reduce in-memory and on-disk data footprint using a spatial hierarchy with “rectangular cuboidal” cells. AMM also supports mixed-precision representation of function values in byte-sized increments. The current version provides several examples of data streams that can be selected through command line. For details on AMM’s data structure and representation, see the accompanying publication, which won the Best Paper Award at the 2022 PacificVis Symposium. The abstract follows:

Adaptive representations are increasingly indispensable for reducing the in-memory and on-disk footprints of large-scale data. Usual solutions are designed broadly along two themes: reducing data precision, e.g., through compression, or adapting data resolution, e.g., using spatial hierarchies. Recent research suggests that combining the two approaches, i.e., adapting both resolution and precision simultaneously, can offer significant gains over using them individually. However, there currently exist no practical solutions to creating and evaluating such representations at scale. In this work, we present a new resolution-precision-adaptive representation to support hybrid data reduction schemes and offer an interface to existing tools and algorithms. Through novelties in spatial hierarchy, our representation, Adaptive Multilinear Meshes (AMM), provides considerable reduction in the mesh size. AMM creates a piecewise multilinear representation of uniformly sampled scalar data and can selectively relax or enforce constraints on conformity, continuity, and coverage, delivering a flexible adaptive representation. AMM also supports representing the function using mixed-precision values to further the achievable gains in data reduction. We describe a practical approach to creating AMM incrementally using arbitrary orderings of data and demonstrate AMM on six types of resolution and precision datastreams. By interfacing with state-of-the-art rendering tools through VTK, we demonstrate the practical and computational advantages of our representation for visualization techniques. With an open-source release of our tool to create AMM, we make such evaluation of data reduction accessible to the community, which we hope will foster new opportunities and future data reduction schemes.

Conduit 0.8.3 Released

April 14, 2022 (release)

Conduit provides an intuitive model for describing hierarchical scientific data in C++, C, Fortran, and Python. It is used for data coupling between packages in-core, serialization, and I/O tasks. The latest release adds new blueprint mesh examples and C/C++ version macros. In addition, the pip install logic has been improved.

Learn more:

New Repo: LOPE

April 13, 2022 (new-repo)

LOPE (Lattice Optimization for Porous Electrodes) performs an optimization over the structure of a porous electrode formed from a lattice of unit cells. This code accompanies the paper “Computational Design of Microarchitected Porous Electrodes for Redox Flow Batteries.” The abstract follows:

Porous electrodes are used as the core reactive component across electrochemical technologies. In flowing systems, controlling the fluid distribution, species transport, and reactive environment is critical to attaining high performance. However, conventional electrode materials like felts and papers provide few opportunities for precise engineering of the electrode and its microstructure. To address these limitations, architected electrodes composed of unit cells with spatially varying geometry determined via computational optimization are proposed. Resolved simulation is employed to develop a homogenized description of the constituent unit cells. These effective properties serve as inputs to a continuum model for the electrode when used in the negative half-cell of a vanadium redox flow battery. Porosity distributions minimizing power loss are then determined via computational design optimization to generate architected porosity electrodes. The architected electrodes are compared to bulk, uniform porosity electrodes and found to lead to increased power efficiency across operating flow rates and currents. The design methodology is further used to generate a scaled-up electrode with comparable power efficiency to the bench-scale systems. The variable porosity architecture and computational design methodology presented here thus offers a novel pathway for automatically generating spatially engineered electrode structures with improved power performance.

New Repo: BinFPE

April 12, 2022 (new-repo)

BinFPE detects floating-point exceptions (NaN, infinity, and subnormal quantities) in NVIDIA GPU applications using binary instrumentation. It requires no re-compilation of the application and can analyze libraries. The tool extends NVBit, which is provided by NVIDIA Labs to analyze binaries.

LLNL Launches Software Development Resource Center

April 10, 2022 (story)

The Lab’s software developers and engineers have accumulated a wealth of expertise by keeping LLNL operational while carrying out its national security mission. Launched in 2022, the Software Development Resource Center (SDRC) connects developers across LLNL through best practices in software tools, development methodologies, DevOps, security compliance, and more. Funded as an Institutional Scientific Capability Portfolio (ISCP) project, the SDRC serves as a focal point for software leadership, including coordinating working groups and providing technical advice to project teams. For instance, the SDRC committee plans to schedule seminars and invited talks as well as conduct workshops during this summer’s Developer Day. The SDRC also arises from Computing’s 10-year Strategic Plan, which prioritizes support for mission-driven programs through robust software engineering and maintenance. Read more about the SDRC.

New Repo: MTNN

April 09, 2022 (new-repo)

MTNN, which stands for Multilevel Neural Networks, is a PyTorch-based library for the application of multilevel algorithms to the training of neural networks. The algorithms behind MTNN mathematically work whenever the neural network can be decomposed into a set of operational subsets such that each subset consists of a set of neurons, channels, or other similar operational units. In this case, pairs of neurons (or channels or other operational units) can be matched up and restricted into a coarse network. Requires Python 3.6 or newer.

New Repo: TargetID

April 08, 2022 (new-repo)

TargetID is a drug target and chemotype identification pipeline that enables rapid identification and characterization of binding sites in SARS-CoV-2 proteins as well as the core chemical components with which these sites interact. The repo contains three Jupyter Notebooks and input data files.

New Repo: Pond B

April 07, 2022 (new-repo)

Pond B documents the code used to analyze the Pond B (Savannah River Site, South Carolina) microbial community for a manuscript titled “Microbial Dynamics Impact Plutonium and Iron Biogeochemical Cycles in a Seasonally Stratified Pond.” The repo includes figures and tables from the paper, which is being prepared for publication.

New Repo: XNAS

April 06, 2022 (new-repo)

XNAS, which stands for eXplainable Neural Architecture Search, provides code for the paper “Learning Interpretable Models Through Multi-Objective Neural Architecture Search.” Requires Python 3.6 or newer. The abstract follows:

Monumental advances in deep learning have led to unprecedented achievements across a multitude of domains. While the performance of deep neural networks is indubitable, the architectural design and interpretability of such models are nontrivial. Research has been introduced to automate the design of neural network architectures through neural architecture search (NAS). Recent progress has made these methods more pragmatic by exploiting distributed computation and novel optimization algorithms. However, there is little work in optimizing architectures for interpretability. To this end, we propose a multi-objective distributed NAS framework that optimizes for both task performance and introspection. We leverage the non-dominated sorting genetic algorithm (NSGA-II) and explainable AI (XAI) techniques to reward architectures that can be better comprehended by humans. The framework is evaluated on several image classification datasets. We demonstrate that jointly optimizing for introspection ability and task error leads to more disentangled architectures that perform within tolerable error.

New Repo: op

April 05, 2022 (new-repo)

op is a lightweight general optimization solver interface. Its primary purpose is to simplify the process of integrating different optimization solvers (serial or parallel) with scalable parallel physics engines. From a user perspective, optimization problems can be described abstractly, and op guarantees portability for different optimization engines and optimization problem configurations.

HiOp 0.6.0 Released

March 31, 2022 (release)

HiOp is an optimization solver for solving certain mathematical optimization problems expressed as nonlinear programming problems. This lightweight HPC solver leverages application’s existing data parallelism to parallelize the optimization iterations by using specialized linear algebra kernels. This version includes the primal decomposition (PriDec) solver for structured two-stage problems as well as improved support for NVIDIA GPUs for solving sparse optimization problems.

Learn more:

Charliecloud 0.27 Released

March 31, 2022 (release)

LANL led with LLNL contributors, Charliecloud provides user-defined software stacks for HPC centers. It uses Linux user namespaces to run containers with no privileged operations or daemons and minimal configuration changes on center resources. Version 0.27 includes new tests, examples, and FAQ; as well as additional functionality for ch-convert, ch-image, and ch-run.

Learn more:

CHAI 2022.03.0 Released

March 29, 2022 (release)

CHAI is a C++ library providing an array object that can be used transparently in multiple memory spaces. CHAI can be used standalone, but is best when paired with the RAJA library, which has built-in CHAI integration that takes care of everything. This release catches CHAI up to the new version nomenclature for the RAJA Portability Suite, which has changed format to indicate year, month, and patch number.

Learn more:

New Repo: ddd

March 24, 2022 (new-repo)

ddd, which stands for Delaunay Density Diagnostic, implements algorithms described in a numerical analysis paper. The abstract follows:

Accurate approximation of a real-valued function depends on two aspects of the available data: the density of inputs within the domain of interest and the variation of the outputs over that domain. There are few methods for assessing whether the density of inputs is \textit{sufficient} to identify the relevant variations in outputs – i.e., the “geometric scale” of the function – despite the fact that sampling density is closely tied to the success or failure of an approximation method. In this paper, we introduce a general purpose, computational approach to detecting the geometric scale of real-valued functions over a fixed domain using a deterministic interpolation technique from computational geometry. Our algorithm is based on the observation that a sequence of piecewise linear interpolants will converge to a continuous function at a quadratic rate (in L2 norm) if and only if the data are sampled densely enough to distinguish the feature from noise. We present numerical experiments demonstrating how our method can identify feature scale, estimate uncertainty in feature scale, and assess the sampling density for fixed (i.e. static) datasets of input-output pairs. In addition, we include analytical results in support of our numerical findings and will release lightweight code that can be adapted for use in a variety of data science settings.

MFEM 4.4 Released

March 22, 2022 (release)

MFEM is a lightweight, general, scalable C++ library for finite element methods. It enables high-performance scalable finite element discretization research and application development on a wide variety of platforms, from laptops to supercomputers. The v4.4 release includes:

Learn more:

libCEED 0.10.0 Released

March 21, 2022 (release)

Developed as part of the Center for Efficient Exascale Discretizations (CEED) within the U.S. Department of Energy, libCEED is a high-order API library that provides a common algebraic low-level operator description, allowing a wide variety of applications to take advantage of the efficient operator evaluation algorithms in the different CEED packages. This release includes single precision support, a capability to assemble operators on GPUs, performance enhancements, interface and error checking improvements, and mini-app improvements.

Learn more:

New Repo: krowkee

March 21, 2022 (new-repo)

krowkee is a toolkit for scalably and efficiently summarizing many data streams in distributed memory. It is intended for applications where one needs to summarize huge loosely structured data, such as matrices or graphs, and where individual components such as rows/columns or vertex adjacency information are impractical to store and directly inspect.

CCT 1.0.16 Released

March 18, 2022 (release)

The Coda Calibration Tool (CCT) calculates reliable moment magnitudes for small- to moderate-sized seismic events. This release includes updates to the multi-waveform display panel, term and relative site term plots, Site and Measurement results, and more.

Learn more:

New Repo: TOPE

March 17, 2022 (new-repo)

TOPE, which stands for Topology Optimization for Porous Electrodes, produced the results of a paper published in Applied Physics. The abstract follows:

Porous electrodes are an integral part of many electrochemical devices since they have high porosity to maximize electrochemical transport and high surface area to maximize activity. Traditional porous electrode materials are typically homogeneous, stochastic collections of small scale particles and offer few opportunities to engineer higher performance. Fortunately, recent breakthroughs in advanced and additive manufacturing are yielding new methods to structure and pattern porous electrodes across length scales. These architected electrodes are emerging as a promising new technology to continue to drive improvement; however, it is still unclear which structures to employ and few tools are available to guide their design. In this work we address this gap by applying topology optimization to the design of porous electrodes. We demonstrate our framework on two applications: a porous electrode driving a steady Faradaic reaction and a transiently operated electrode in a supercapacitor. We present computationally designed electrodes that minimize energy losses in a half-cell. For low conductivity materials, the optimization algorithm creates electrode designs with a hierarchy of length scales. Further, the designed electrodes are found to outperform undesigned, homogeneous electrodes. Finally, we present three-dimensional porous electrode designs. We thus establish a topology optimization framework for designing porous electrodes.

RAJA 2022.03.0 Released

March 15, 2022 (release)

RAJA is a software abstraction that systematically encapsulates platform-specific code to enable applications to be portable across diverse hardware architectures without major source code disruption.

Note that the release version nomenclature has changed format to indicate year, month, and patch number. This format applies to the coordinated release of RAJA Portability Suite components. The v2022.03.0 release includes:

As of this release, RAJA requires CMAKE version 3.14.5 or newer and a C++14-compliant compiler to build.

Learn more:

Kosh 2.1 Released

March 15, 2022 (release)

Kosh allows codes to store, query, and share data via an easy-to-use Python API. This software aims to make data access and sharing as simple as possible. The latest release includes updates to transformers, operators, dataset cloning, dataset objects, and more.

Learn more:

Julian Andrej Applies Mathematics and Engineering to Support LLNL Missions

March 09, 2022 (profile)

Computational mathematician Julian Andrej began using LLNL-developed, open source software while in Germany. Now at Livermore, he lends his expertise to the Center for Applied Scientific Computing, developing code for next-generation computing hardware. “I know that every part of my work is contributing to a mission, and I can see a clear traceable path of its impact,” he says. Andrej contributes to MFEM and SUNDIALS projects. Read more about his work.

BLT 0.5.0 Released

March 07, 2022 (release)

BLT (Building, Linking, and Testing) is a streamlined CMake build system foundation for developing HPC software. BLT makes it easy to get up and running on a wide range of HPC compilers, operating systems, and technologies. The v0.5.0 release includes added support for IntelLLVM compilers and hip targets, along with changes to the CMAKE_HIP_ARCHITECTURES variable and other modifications.

Learn more:

MuyGPyS 0.5.0 Released

March 01, 2022 (release)

MuyGPyS is a Gaussian process estimation method that affords fast hyperparameter optimization by way of performing leave-one-out cross-validation. The latest release introduces just-in-time compilation and GPU support using JAX. This change allows for the acceleration of workflows on CPU (1-2.5x) and NVidia GPU (30-60x).

Learn more:

The Flux Supercomputing Workload Manager: Improving on Innovation and Planning for the Future

February 24, 2022 (story)

The LLNL-developed Flux project addresses challenges posed by complex scientific research supercomputing workflows, and the team has played a major role in the Exascale Computing Project’s ExaWorks effort. A recent ECP article describes how Flux works, its impact, and what’s next for the project.

Camp 0.5.0 Released

February 23, 2022 (release)

CAMP collects a variety of macros and metaprogramming facilities for C++ projects. This version incorporates BLT updates to better support rocm builds, and uses the cmake setup to include a binary component that lets CAMP avoid pulling in expensive standard library headers at include time.

Learn more:

Spack's Long-Term Roadmap

February 22, 2022 (story)

The Spack team presented a long-term roadmap at the Networking and Information Technology Research and Development (NITRD) Program’s recent meeting on software sustainability. NITRD coordinates federal research and development to identify, develop, and transition into use the Unites States’ IT, HPC, networking, and software capabilities. With more than 6,000 software packages and nearly 1,000 contributors, Spack’s long-term strategy is based around broad adoption and collaboration. Current R&D efforts include a multi-year strategic initiative aimed at reducing the human maintenance burden, as well as improvements to Spack’s continuous integration workflow and sustainability plans after the conclusion of the Exascale Computing Project.

SCR 3.0 Released

February 16, 2022 (release)

The Scalable Checkpoint/Restart (SCR) library enables MPI applications to utilize distributed storage on Linux clusters to attain high file I/O bandwidth for checkpointing, restarting, and writing large datasets. This release includes:

Learn more:

New Repo: SYNDATA

February 15, 2022 (new-repo)

SYNDATA includes a suite of statistical/machine learning models to generate discrete/categorical synthetic data. To train each model, the user must provide the input data from which the model parameters will be inferred. Once the models are trained, they can be used to generate entirely synthetic data. In addition to the actual models, SYNDATA includes code to process data, evaluate results (based on cross validation), and create a PDF report.

Merlin Integrates Machine Learning into Scientific HPC Workflows

February 15, 2022 (story)

The Merlin team has published a paper in Future Generation Computer Systems that describes Merlin’s machine learning–integrated workflow system and the considerations driving its design. The authors detail Merlin’s performance results on LLNL’s Pascal and Sierra supercomputers. For example, to demonstrate Merlin’s scalability, researchers created an unprecedentedly large fusion simulation dataset consisting of the multivariate results of approximately 100 million individual simulations on Sierra. Other case studies show Merlin’s flexibility in cascading and iterative scientific workflows.

New Repo: PyMFEM

February 14, 2022 (new-repo)

PyMFEM provides Python binding for MFEM, a high-performance parallel finite element method (FEM) library. Installer (setup.py) builds both MFEM and binding together. By default, pip install mfem downloads and builds the serial version of MFEM and PyMFEM. Additionally, the installer supports building MFEM with specific options together with other external libraries, including MPI version.

Hatchet 1.3.0 Released

February 07, 2022 (release)

Hatchet is a Python-based library that allows Pandas dataframes to be indexed by structured tree and graph data. Version 1.3.0 includes a new interactive tree visualization in Jupyter, new APIs, new graph output formats, an updated tutorial, and more.

Learn more:

VisIt 3.2.2 Released

January 31, 2022 (release)

VisIt is an open source, interactive, scalable, visualization, animation, and analysis tool. Version 3.2.2 includes

Learn more:

Quandary 2.1 Released

January 26, 2022 (release)

Quandary provides optimal control for open quantum systems via an optimization solver. The underlying quantum dynamics model open quantum systems, using the Lindblad master equation to evolve a density matrix in time. With this latest release, Quandary can solve either Lindblad’s master equation for the density matrix (open quantum systems), or Schrödinger’s equation for the state vector if no collapse operators are present (closed quantum systems). The latter drastically reduces the computational complexity; however, system interactions with the environment are not considered in this model.

Learn more:

Peter Lindstrom: Then and Now

January 25, 2022 (profile)

The Department of Energy’s (DOE’s) Office of Science interviewed LLNL computer scientist Peter Lindstrom about his work since receiving the 2011 Early Career Award. Lindstrom leads the zfp project, which provides a compressed format for representing multidimensional floating-point and integer arrays. zfp is currently used in the DOE’s Exascale Computing Project.

Supplemental Repositories

January 19, 2022 (new-repo)

Did you know that the LLNL GitHub catalog contains several supplemental repos? They are “companions” to primary repos and provide additional data or functionality, such as examples or test cases. For instance, and this is not an exhaustive list:

New Repo: UMT

January 07, 2022 (new-repo)

UMT, which stands for Unstructured Mesh Transport, is an LLNL ASC proxy application (mini-app) that solves a thermal radiative transport equation using discrete ordinates (Sn). It utilizes an upstream corner balance method to compute the solution to the Boltzmann transport equation on unstructured spatial grids. For additional information, the repo’s README includes references to relevant radiation transport publications.

FEM@LLNL Seminar Series

January 05, 2022 (multimedia) (story)

The MFEM team has announced a new FEM@LLNL seminar series focusing on finite element research and applications talks of interest to the MFEM community. Visit the MFEM website to see the full lineup of speakers. Seminars will be hosted and recorded via WebEx; videos of the recordings will be available from the MFEM website.

New Repo: Abmarl

January 03, 2022 (new-repo)

Abmarl is a package for developing Agent-Based Simulations and training them with MultiAgent Reinforcement Learning (MARL). It provides an intuitive CLI for engaging with the full workflow of MARL experimentation: training, visualizing, and analyzing agent behavior. Abmarl leverages RLlib’s framework for reinforcement learning and extends it to more easily support custom simulations, algorithms, and policies. Documentation is also available.

New Repo: ExaCA

December 22, 2021 (new-repo)

ExaCA is a cellular automata (CA) code for grain growth under additive manufacturing conditions by ExaAM within the Exascale Computing Project. ExaCA runs with the default enabled Kokkos backend and has been tested with Serial, OpenMP, Pthreads, CUDA, and HIP backends. Supplementary temperature data files are available in the ExaCA-Data repo.

Take the Spack User Survey

December 16, 2021 (story)

The Spack development team has launched the second annual user survey and requests responses through January 7. Last year’s survey analysis is available on the Spack website.

New Repo: croquis

December 15, 2021 (new-repo)

croquis (“KROW-kee”) is a distributed multi-stream data sketching toolkit for scalably and efficiently summarizing many data streams in distributed memory. croquis is intended for applications involving where one needs to summarize huge loosely structured data, such as matrices or graphs, where individual components such as rows/columns or vertex adjacency information are impractical to store and directly inspect.

LLNL at SC21

November 24, 2021 (event-report) (multimedia)

The 33rd annual Supercomputing Conference (SC21) was held in a hybrid (i.e., virtual and in-person in St. Louis) format during November 14–19.

MFEM Team Hosts First Community Workshop

November 12, 2021 (event-report) (multimedia)

The MFEM team held the first annual MFEM Community Workshop on October 20, 2021. MFEM, which stands for Modular Finite Element Methods, is an open source C++ software library that provides high-order mathematical algorithms for large-scale scientific simulations. The project’s discretization methods enable HPC systems to run these simulations more efficiently. More than 150 researchers from dozens of organizations and countries attended the one-day virtual workshop organized by Aaron Fisher, Tzanio Kolev, Will Pazner, and Mark Stowell. According to the registration survey, more than half of the participants were new users. An article about the workshop is available on LLNL’s Computing website, and links to videos of the presenters can be found at the MFEM website.

Flux Software Wins R&D 100 Award

October 21, 2021 (story)

The renowned worldwide competition announced the winners of the 2021 R&D 100 Awards, among them LLNL’s Flux workload management framework in the Software/Services category. Watch the Flux video to learn how it enables modern supercomputing workflows.

Celebrate Exascale Day 2021

October 18, 2021 (event) (multimedia)

Exascale computing will transform the ability to tackle some of the world’s most important challenge. The Exascale Computing Project (ECP) celebrates this new era of scientific discovery with the now-annual Exascale Day on October 18, or “10^18” to represent the exascale threshold of floating-point operations per second. This virtual event runs all week and provides multimedia and articles that educate explain the impact areas of exascale computing from the Department of Energy national laboratories (including LLNL), HPC manufacturers, and universities and industrial organizations. Much of the ECP’s software stack is open source.

New Variorum Video Lectures

October 14, 2021 (multimedia)

Variorum is a platform-agnostic software library exposing monitor and control interfaces for several features in hardware architectures from IBM, ARM, and NVIDIA. In a two-part lecture series, the Variorum team demonstrates everything necessary to start using Variorum to write portable power management code. These videos were recorded as part of the Exascale Computing Project’s lecture series.

New libROM Video Tutorials and Website

October 07, 2021 (multimedia)

Reduced order models (ROMs) combine data and underlying first principles to accelerate physical simulations, reducing computational complexity without losing accuracy. The C++ software library called libROM provides data-driven physical simulation methods from intrusive projection-based ROMs to non-intrusive black-box approaches. The project has a new website that contains documentation and examples. Additionally, computational scientist Youngsoo Choi has recorded three user tutorials, with plans to record more in the future:

Latest S&TR Issue Highlights VisIt

September 10, 2021 (story)

The VisIt visualization and analysis tool has supported scalable, high-quality evaluation of simulation results for over 20 years. A Research Highlight article in the latest issue of Science & Technology Review describes the software’s history and importance. Eric Brugger, who has worked on VisIt since its inception, states, “Our software is used broadly throughout the Department of Energy complex, at universities, and at other supercomputing centers. It’s running on some of the world’s most powerful machines. VisIt strikes a balance between application support and capability development that appeals to the larger HPC community.” Read “Visualization Software Stands the Test of Time” on the S&TR website.

SC21: Video Previews Hatchet Tutorial

September 08, 2021 (event) (multimedia) (story)

The Python-based library Hatchet will be part of a new Supercomputing 2021 (SC21) tutorial on performance tools. Hatchet allows Pandas dataframes to be indexed by structured tree and graph data and is intended for analyzing hierarchical performance data. The development team has released a video titled “User-Centric Automated Performance Analysis of Hybrid Parallel Programs” to preview the tutorial and give attendees an idea of what to expect. SC21 will take place in a hybrid format on November 14–19.

Vanessa Sochat Presents Keynote at SeptembRSE

September 06, 2021 (event-report) (multimedia)

LLNL computer scientist and open source advocate Vanessa Sochat delivered a keynote presentation titled “The Stories We Tell Ourselves” at the 5th Conference of Research Software Engineers on September 6. Sochat’s work includes developing container technologies, supporting tools, and fostering open source communities. She founded and hosts the Research Software Engineer Stories podcast and is an active member of the U.S. Research Software Engineer Association.

How to Spack a Software Package

August 27, 2021 (multimedia)

At the AWS/Arm Cloud Hackathon, LLNL’s Todd Gamblin and Greg Becker discussed the essential skills and concepts needed to understand how to create and deploy Spack recipes to build scientific codes. The Hackathon was held July 12-16 and aimed to assemble the HPC community around a common goal of beginning the porting, testing, and tuning processes for dozens of codes to use Arm-based processors. The video runs 31:42.

Flux Software Selected Among R&D 100 Award Finalists

August 26, 2021 (story)

The annual R&D 100 Awards finalists have been announced. The Flux workload management software framework is a finalist in the Software/Services category. Winners will be announced later this fall. Watch the Flux video to learn how it enables modern supercomputing workflows.

Summer Hackathon Tradition Continues Virtually

August 23, 2021 (event-report)

Each new season brings another hackathon, and LLNL’s summer event took place on August 12–13. The event was sponsored by the Center for Applied Scientific Computing (CASC) and Livermore Computing (LC) divisions and organized by Stephanie Brink (CASC), Tammy Dahlgren (LC), and Stephen Herbein (LC). Additionally, Computing’s summer interns were encouraged to participate in the event. Ian Lee, open source advocate and Computing’s Alternate Organizational Information System Security Officer, kicked off the hackathon with a presentation titled “When a Hackathon Project Ends…Does It Make a Sound?” He gave participants a larger picture beyond the event’s concentrated 24 hours, detailing how he has shepherded hackathon projects into real-world applications with benefits to a wide group of users and developers across the Lab.

Introducing the Spackpedia

August 22, 2021 (story)

In a new twist on documentation, the Spack package manager team created the Spack Encyclopedia, or Spackpedia, to help users understand frequently used (and sometimes funny) terms. Click on a term to see a quick definition with an option to read more. Click “read more” for additional details about the term, an example of its usage, a link to Spack documentation, and related terms. Spackpedia is a separate repo within the Spack organization on GitHub, and contributions are welcome.

MFEM's First Community Workshop Coming in October

August 18, 2021 (event)

The MFEM team is happy to announce the first annual MFEM Community Workshop, which will take place online on October 20, 2021.

CEED's Fifth Annual Meeting Recap

August 05, 2021 (event-report)

As part of the Exascale Computing Project (ECP), the Center for Efficient Exascale Discretizations (CEED) is a research partnership between two U.S. Department of Energy laboratories and five universities. LLNL leads the Center. All of CEED’s software is open source.

CEED held its fifth annual meeting (CEED5AM) virtually on August 3-4. The goals of the meeting were to report on recent progress; deepen existing and establish new connections with ECP hardware vendors, ECP software technologies projects, and other collaborators; plan project activities; and work as a group to make technical progress. Presentations covered activities related to GPU support and GPU-enabled solvers, high-order methods and finite elements, software products including the AmgX linear solver library and libCEED algebraic library, benchmarking and optimization, various types of simulations enabled by CEED development, and much more.

Attendance included 97 researchers from 36 organizations:

Research in Traumatic Brain Injury Aided by Open Source Workflow

August 03, 2021 (story)

Traumatic brain injuries (TBIs) affect millions of people each year, whether from car accidents, sports injuries, or on the battlefield. LLNL is part of the Transforming Research and Clinical Knowledge in Traumatic Brain Injury (TRACK-TBI) project, which aims to uncover fundamental new insights into how to diagnose and treat TBI as well as help deliver precision medicine to patients using advanced supercomputing and machine learning technologies. To this end, researchers have developed the open source MaPPeRTrac: the Massively Parallel, Portable, and Reproducible Tractography brain tractography workflow. MaPPeRTrac incorporates novel technologies to simplify and accelerate neuroimaging research. Read more about LLNL’s efforts to address TBI.

ECP Annual Meeting Videos Now Available: Spack, CEED, Flux

July 29, 2021 (event-report) (multimedia)

The Exascale Computing Project, a joint effort between the DOE Office of Science and NNSA, brings together several national laboratories to address many hardware, software, and application challenges inherent in the organizations’ scientific and national security missions. The ECP’s annual meeting was held virtually this year on April 12-16. Several sessions are available in a YouTube playlist. LLNL’s highlights feature open source projects that are crucial to the ECP’s collaborative goals:

Dev Day Makes the Most of Virtual Format

July 29, 2021 (event-report)

Held virtually on July 15, our fifth annual Developer Day was a success. The morning session included lightning talks, a security-focused technical deep dive, and “quick takes” on remote-development resources. The afternoon session provided presentations about career paths and the Lab’s diversity and inclusion goals, capped by a career development panel discussion co-sponsored by the Data Science Institute.

Spack Tutorial from PEARC'21

July 19, 2021 (event-report)

The Spack team presented a tutorial at the 2021 Practice & Experience in Advanced Research Computing (PEARC’21) conference on July 19. You can view go through the tutorial yourself.

RAJA Portability Suite Enables Performance Portable CPU and GPU HPC Applications

June 14, 2021 (story)

A growing number of scientific computing applications must deliver high performance on central and graphics processing unit (CPU and GPU) hardware platforms. Compute node architectures are becoming more complex and diverse than earlier generation platforms as hardware vendors strive to deliver performance gains while adhering to physical constraints, such as power usage. Moreover, DOE laboratories are procuring machines with GPUs from three different hardware vendors. This environment makes developing applications that can run efficiently on multiple platforms increasingly time consuming and difficult.

The RAJA Portability Suite is a collection of open source software libraries that enable developers to build portable high performance applications. RAJA provides software abstractions that enable portable parallel numerical kernel execution and memory management for computing platforms with heterogeneous memory systems, specifically the Umpire and CHAI libraries. Development is supported by LLNL’s ASC Program, the RADIUSS project, and the DOE Exascale Computing Project. Read more about RAJA’s capabilities on the LLNL Computing website.

Spack on CppCast

May 28, 2021 (multimedia)

The CppCast podcast recently hosted Spack creator Todd Gamblin and core developer Greg Becker to discuss a documentation tool, a blog post about floating point numbers, and ABI changes. The podcast is created by and for C++ developers. The episode runs 59:13.

Flux: Enabling Modern Supercomputing Workflows

May 26, 2021 (multimedia)

Flux is an open-source software framework that manages and schedules computing workflows to maximize available resources to run applications faster and more efficiently. Flux’s fully hierarchical resource management and graph-based scheduling features improve the performance, portability, flexibility, and manageability of both traditional and complex scientific workflows on many types of computing systems—in the cloud, at remote locations, on a laptop, or on next-generation architectures. Watch this video to learn more about Flux (runtime 7:14).

Vanessa Sochat Is Building Research Software and Open Source Engagement

May 18, 2021 (profile)

Vanessa Sochat has built her software engineering and computer science career in an unconventional way. After earning an undergraduate degree in Psychology, her first research assistant job involved using command line software and writing scripts. “I had no idea what I was doing, nor did anyone teach me, but I thrived in this environment,” she says. Vanessa recently joined LLNL to work on the BUILD project, Spack package manager, and other open-source initiatives. She was one of the original developers of the Singularity container technology, and she created and continues to produce the RSE Stories podcast. Read Vanessa’s profile at LLNL Computing.

LLNL, IBM, and Red Hat Joining Forces

April 28, 2021 (story)

Under a new memorandum of understanding, researchers at LLNL, IBM, and Red Hat will aim to enable next-generation workloads by integrating LLNL’s open source Flux scheduling framework with Red Hat OpenShift to allow more traditional HPC jobs to take advantage of cloud and container technologies. “Cloud systems are increasingly setting the directions of the broader computing ecosystem, and economics are a primary driver,” said Bronis de Supinski, CTO of Livermore Computing at LLNL. “With the growing prevalence of cloud-based systems, we must align our HPC strategy with cloud technologies, particularly in terms of their software environments, to ensure the long-term sustainability and affordability of our mission-critical HPC systems.” Read more at LLNL News.

Called to a Valuable Function, Stephanie Brink Streamlines the Lab’s Code

April 27, 2021 (profile)

LLNL Computing relies on engineers like Stephanie Brink to keep the legacy codes running smoothly. “You’re only as fast as your slowest processor or your slowest function,” says Stephanie, who works in the Center for Applied Scientific Computing. By analyzing a legacy code’s performance, Stephanie and her team can reduce the amount of time it takes to run and allow for more critical science to be accomplished. Stephanie is a frequent contributor to open source software, including Hatchet and Variorum. Read the full profile at LLNL Computing.

S&TR Features Software for the Exascale Era

April 21, 2021 (story)

The latest issue of LLNL’s Science & Technology Review magazine showcases Computing in the cover story (see abstract below) and Commentary. Open source software plays a prominent role in the initiatives described in the story. The cover art shows an advection simulation powered by open source repos MFEM and GLVis.

Abstract: As a leader in high-performance computing, Lawrence Livermore wields a large portion of the Department of Energy’s HPC resources to advance national security and foundational science. The Sierra supercomputer supports the National Nuclear Security Administration’s Stockpile Stewardship Program by enabling more accurate, more predictive simulations. This generation of computers is known as heterogeneous, or hybrid, because their architectures combine graphics processing units and central processing units to achieve peak performance well above 100 petaflops. (A petaflop is 10^15 floating-point operations per second.) The next generation’s processing capability—at least an exaflop (10^18 flops)—will be many times greater. HPC software must adjust to these new hardware standards. As the exascale era begins, two major initiatives leverage and expand Livermore’s HPC capabilities, with a spotlight here on software. The Exascale Computing Project, a joint effort between the DOE Office of Science and NNSA, brings together several national laboratories to address many hardware, software, and application challenges inherent in the organizations’ scientific and national security missions. Within the Laboratory, the RADIUSS project aims to benefit scientific applications through a robust software infrastructure.

LLNL's Spring Hackathon Coming Up

April 20, 2021 (event)

Held since 2012, LLNL’s hackathons are 24-hour opportunities to brainstorm, foster creativity, prototype, and explore. Participants work in groups or individually and often strive to learn new skills, programming languages, and tools in service to LLNL’s missions. Like the hackathons of the past year, the spring event (April 29-30) will be held virtually using WebEx and Mattermost for collaboration. LLNL sponsors are two Computing divisions: Enterprise Applications Services and National Ignition Facility Computing.

New Project Aims to Solve the Software Complexity Puzzle

April 14, 2021 (story)

The HPC world is full of complexity—from applications to the software components they rely on and the hardware they need to run. With the first three exascale machines, including Livermore’s El Capitan, slated to come online in the next few years, addressing complexity challenges will be a heavier, more urgent lift. Like our current Sierra system, these exascale systems will derive most of their computational power from secondary accelerator processors called GPUs. Traditionally, HPC systems have used only CPUs. With these machines, developers will need to accommodate not just NVIDIA accelerators but also new offerings from AMD and Intel. Harnessing the power of these devices entails using rapidly evolving programming environments, which require new compilers, runtime libraries, and software packages whose relationships are not always well understood. Without automated approaches to integration, developers will fight these software stacks by hand—but manual integration and maintenance are unsustainable.

A new effort kicking off in fiscal year 2021 aims to develop a machine-verifiable model of package compatibility that will enable automated integration, reducing human labor and errors. The Binary Understanding and Integration Logic for Dependencies (BUILD) project will run for three years with computer scientist Todd Gamblin at the helm. He states, “This project will develop techniques that enable rapid integration of HPC software systems, especially for upcoming exascale machines.” The project will build on Spack—the widely adopted package manager with a repository of more than 5,000 packages. Created by Gamblin in 2013 and today supported by a core development team, Spack already incorporates package configuration capabilities with dependency solving techniques.

Read more about the BUILD project.

LLNL’s Rob Falgout Named to 2021 Class of SIAM Fellows

April 09, 2021 (profile) (story)

The Society for Industrial and Applied Mathematics (SIAM) has announced its 2021 Class of Fellows, including LLNL computational mathematician Rob Falgout. Falgout is best known for his development of multigrid methods and for hypre, one of the world’s most popular parallel multigrid codes. LLNL News has the fully story about this honor.

Spack and the NoTearsHPC Cluster at AWS

March 25, 2021 (multimedia) (story)

From HPC Tech Shorts, this video (25:09) shows Amazon Web Services team members discussing the NoTearsHPC cluster solution for 1-click launches. Evan Bollig and Sean Smith talk about how the cluster works, what it provides, and how to do complicated tasks quickly. They used Spack for installation.

New Computing Website Tags Content as Open Source

March 19, 2021 (story) (this-website)

LLNL’s computing website recently underwent a major overhaul to its design and information architecture. The site now features a taxonomy of Focus Areas that connect related content. These topics are tagged on News, People Highlights, and Projects. One of the topics is open source software. The site’s Livermore Computing page also directs users to this website for more information about open source projects.

Novel Deep Learning Framework Includes New Repo

March 18, 2021 (new-repo) (story)

LLNL computer scientists have developed a new framework and an accompanying visualization tool that leverages deep reinforcement learning for symbolic regression problems, outperforming baseline methods on benchmark problems. The paper was recently accepted as an oral presentation at the International Conference on Learning Representations (ICLR 2021), one of the top machine learning conferences in the world. The conference takes place virtually May 3-7, and the team’s deep symbolic regression code is available in a GitHub repo.

Videos from Wild West Hackin' Fest

February 24, 2021 (multimedia)

LLNL computer engineer Ian Lee presented at Wild West Hackin’ Fest (WWHF) 2020, and both of his talks are now available on YouTube:

WWHF offers high-quality information security education to beginners and seasoned professionals alike. A stated goal is to lower the barrier to entry for those seeking to enter into the world of information security.

MFEM GPU Tips & Tricks

February 17, 2021 (story)

The MFEM team has created a helpful page of tips and tricks that explain how to make the most of GPUs when running finite element algorithms. This support documentation includes information about optimizing porting and performance. Learn more about these features and processes:

Questions or suggestions can be posted to MFEM’s issue tracker.

LLNL's Winter Hackathon Held Virtually

February 12, 2021 (event-report)

Held since 2012, LLNL’s hackathons are 24-hour opportunities to brainstorm, foster creativity, prototype, and explore. Participants work in groups or individually and often strive to learn new skills, programming languages, and tools in service to LLNL’s missions. Like the spring and summer hackathons of 2020, this year’s winter event (February 11-12) was held virtually using WebEx and Mattermost for collaboration. With LLNL’s Data Science Institute (DSI) sponsoring the hackathon, the agenda included guest speakers (below) discussing data science topics relevant to the Lab’s missions as well as a deep learning tutorial. (Participants were not required to attend the talks.) Read the recap on the DSI website.

Award-Winning Computer Vision Research Includes New Repo

January 08, 2021 (new-repo) (story)

The 2021 IEEE Winter Conference on Applications of Computer Vision (WACV 2021) announced that a paper co-authored by Rushil Anirudh received the conference’s Best Paper Honorable Mention award based on its potential impact to the field. The paper, titled “Generative Patch Priors for Practical Compressive Image Recovery,” introduces a new kind of prior—a characterization of the space of natural images—for compressive image recovery that is trained on patches of images instead of full-sized images. Unlike existing generative methods that are applicable only to images similar to the training dataset—i.e., similar kinds of objects, image sizes or aspect ratios—the generative patch prior (GPP) can recover a wide variety of natural images and compares favorably to other existing methods, researchers said. Anirudh presented the paper on behalf of the group during an awards session hosted by the virtual conference, the premier event of its kind in the world. The conference received about 1,100 paper submissions—only 5 were honored with awards. The code used in the paper is available on the open source repository GPP on GitHub.

NeurIPS Features LLNL Papers and Software

December 07, 2020 (event)

The 34th Conference on Neural Information Processing Systems (NeurIPS) features two LLNL papers advancing the reliability of deep learning for the Lab’s mission-critical applications. The most prestigious machine learning conference in the world, NeurIPS began virtually on December 6. The first paper describes a framework for understanding the effect of properties of training data on the generalization gap of machine learning (ML) algorithms—the difference between a model’s observed performance during training versus its “ground-truth” performance in the real world. The second NeurIPS paper introduces an automatic framework to obtain robustness guarantees of any deep neural network structure using the open source Linear Relaxation-based Perturbation Analysis (LiRPA) repo. Developed with colleagues at Northeastern University, China’s Tsinghua University, and UCLA, LiRPA algorithms can provide guaranteed upper and lower bounds for a neural network function with perturbed inputs.

Spack User Survey Results

December 02, 2020 (story)

The Spack development team ran a user survey from September 28 to October 9 and received 169 responses. The survey covered user demographics, use cases, feature priorities, community involvement, and more. For example, responses indicated strong interest in a future virtual workshop. The full analysis is available on the Spack website, and the survey data is housed in its own repo.

New Templates for Community Health Files

November 24, 2020 (this-website)

Our .github repo houses file templates and other content that can be used by LLNL open source projects. The goal is to help standardize the presentation and organization of certain types of content across the LLNL organization. New this month are community health files that developers can copy and/or modify as needed to ensure their repos adhere to certain guidelines regarding licenses and other aspects of releasing and maintaining open source software. New files include Contributing Guidelines, a Notice, a Code of Conduct, and templates for opening issues and submitting pull requests. More information is available on the .github README.

LLNL's First Computing Virtual Expo

November 11, 2020 (event-report) (multimedia)

The LLNL Computing Virtual Expo was an end-to-end digital experience with interactive booths, networking opportunities, and on-demand presentations, held on September 30. Lab employees and the public were invited to learn about new initiatives while networking and engaging with the Computing community, including computer scientists, IT experts, HPC contacts, and software developers and engineers.

In addition to an exhibit booth about open source projects in general, the Expo featured booths for RADIUSS project and the Maestro Workflow Conductor. Ian Lee presented a lightning talk about the Lab’s open source community and policies, and Rob Neely gave a talk on RADIUSS.

Materials:

LLNL Heads to SC20

October 28, 2020 (event)

The 32nd annual Supercomputing Conference (SC20) will be held virtually throughout November 9–19. This year the conference groups event types (e.g., tutorials, posters) into specific days. Much of the content is pre-recorded and will remain available online for six months. Tutorials will be live-streamed. As always, LLNL teams are looking forward to the event.

Twitter accounts to follow: @Livermore_Comp, @LLNL_OpenSource, @NatLabsHPC, @Livermore_Lab.

Check out LLNL’s full lineup of events. All initial broadcast times are listed in Eastern Standard Time.

Podcast: Power Up Your Java Using Python With JPype

October 26, 2020 (multimedia)

Python and Java are two of the most popular programming languages in the world, and have both been around for over 20 years. In that time there have been numerous attempts to provide interoperability between them, with varying methods and levels of success. One such project is JPype, which allows you to use Java classes in your Python code. In this Python podcast episode, lead developer Karl Nelson from LLNL explains why he chose it as his preferred tool for combining these ecosystems, how he and his team are using it, and when and how you might want to use it for your own projects. He also discusses the work he has done to enable use of JPype on Android, and what is in store for the future of the project. The episode runs 48:39.

Video: Build All the Things with Spack

October 20, 2020 (multimedia)

LLNL computer scientist Todd Gamblin presented a brief overview of Spack at CppCon. CppCon is an annual, week-long gathering for the C++ community. This video runs 6:53.

Open-Source Software Community Welcomes Virtual Internships

October 01, 2020 (story) (this-website)

LLNL hosts hundreds of student interns annually—even during a year distinguished by the COVID-19 pandemic. This summer, the Computing Scholar Program welcomed 160 undergraduate and graduate students into virtual internships. The Lab’s open source community was already primed for student participation. A Computing news article describes three open source projects that benefitted from interns’ help: Ascent, MFEM, and this website. Mentors discuss the challenges of mentoring remotely, while students describe their experiences including skill development.

Another version of this story is available as a Code.gov blog post, penned by Ian Lee: Spotlight Story: Interns and Open Source: A Productive Combination.

Celebrate Exascale Day

September 18, 2020 (event) (multimedia)

Exascale computing will transform the ability to tackle some of the world’s most important challenge. The Exascale Computing Project (ECP) celebrates this new era of scientific discovery with Exascale Day on October 18, or “10^18” to represent the exascale threshold of floating-point operations per second. This virtual event will provide videos, audio discussions, and articles that will educate participants about impact areas of exascale computing from the Department of Energy national laboratories, HPC manufacturers, and leading universities and industrial organizations. LLNL will be participating, and much of the ECP’s software stack is open source.

LLNL’s highlights include:

Spack on FLOSS for Science Podcast

September 03, 2020 (multimedia)

The FLOSS for Science podcast showcases open source software uses in science. Episode 30 covered the philosophy of Spack, its package management capabilities in HPC clusters, supported operating systems, and much more. The episode runs 52:26.

News Filters Added to Software Portal

September 02, 2020 (this-website)

This site’s News and Archive pages have been updated with filters for selecting news posts by category. These categories appear next to the date on each post. We have nearly five years’ worth of news, so this feature improves the navigation of different types of news. These filters were implemented by our 2020 summer intern.

New Visualizations of Popular Repositories

August 31, 2020 (this-website)

The Visualize section of this website has again expanded to include a new page that breaks down the popularity (i.e., stars) of LLNL repositories in a few ways: repos with the highest number of stars, creation history of those repos, increase of stars over time, commit activity of popular repos, and licenses of those repos. This new page, created by our 2020 summer intern, helps us better understand repos that have made a big impact in the open source community.

Developer Day Goes Virtual

August 21, 2020 (event-report)

Sponsored by the Computing Directorate, Developer Day is a chance for LLNL software developers to share ideas, learn about the latest technology, discuss best practices, and mingle with colleagues. During the COVID-19 pandemic, however, much of the Lab’s workforce is working remotely. On July 30, Computing’s fourth annual Dev Day was held virtually for the first time with more than 90 attendees—almost as many as attended last year in person. Organizers were Kyle Dickerson, Elsa Gonsiorowski, and David Beckingsale.

Video: Flux Framework Featured on Next Platform TV

August 18, 2020 (multimedia)

LLNL computer scientist Stephen Herbein discusses the open-source Flux Framework HPC software on this video episode of Next Platform TV. His segment begins at 27:34.

CEED's Virtual Annual Meeting

August 12, 2020 (event-report)

As part of the Exascale Computing Project (ECP), the Center for Efficient Exascale Discretizations (CEED) is a research partnership between two U.S. Department of Energy laboratories and five universities. LLNL leads the Center. All of CEED’s software is open source.

CEED held its 4th annual meeting on August 11-12 using ECP Zoom for videoconferencing and Slack for side discussions. The goals of the meeting were to report on the progress in the Center; deepen existing and establish new connections with ECP hardware vendors, ECP software technologies projects, and other collaborators; plan project activities; and brainstorm/work as a group to make technical progress. In addition to gathering together many CEED researchers, the meeting included representatives of ECP management, hardware vendors, software technology, and other interested projects. The full meeting agenda is available on the CEED website.

New Dependencies Page on Software Portal

July 28, 2020 (this-website)

The Visualize section of this website has grown to include a new page that visualizes our software catalog’s dependencies. LLNL software repos are shown in the context of repositories with dependencies, External Packages, and internal packages. You can move the slider to change the connections between repos, organizations, and dependencies as well as click on a circle to isolate its specific connections in an expansion panel on the right side of the page. This work, which enables us to learn more about our repos and how they are related, was done by our 2020 summer intern.

Spack Tutorial on AWS

July 20, 2020 (event-report) (multimedia)

Amazon Web Services hosted a free two-day Spack tutorial broadly targeted at HPC users, developers, and user support teams. Each day consisted of two 1.5-hour sessions with a 30-minute break in the middle. The first day covered Spack basics, while the second day drilled down on advanced features. Videos from day 1 (3:19:18) and day 2 (3:30:18) are available.

LLNL's Summer Hackathon Will Be Virtual

July 18, 2020 (event)

Held since 2012, LLNL’s hackathons are 24-hour opportunities to brainstorm, foster creativity, prototype, and explore. Participants work in groups or individually and often strive to learn new skills, programming languages, and tools in service to LLNL’s missions. Like the spring hackathon earlier this year, the summer event (August 6-7) will be held virtually using WebEx and Mattermost for collaboration. LLNL sponsors are Livermore Computing and the Center for Applied Scientific Computing. Registration closes on July 31.

Webinar: What’s New in Spack?

July 15, 2020 (event-report) (multimedia)

The IDEAS Productivity project, in partnership with the DOE Computing Facilities of the ALCF, OLCF, and NERSC and the DOE Exascale Computing Project, hosts a webinar series on Best Practices for HPC Software Developers. A webinar titled “What’s New in Spack?” was presented by LLNL’s Todd Gamblin on July 15. Slides and a video (1:26:33) from the session are available.

New Consolidated FAQ on Software Portal

July 08, 2020 (this-website)

Much of the content under the About section of this website has been consolidated into an easy-to-navigate FAQ page. The FAQ explain how to get started on GitHub, become part of the LLNL organization, manage repositories, and much more. We encourage readers to provide feedback or new questions by contacting the LLNL GitHub admins or submitting a pull request.

New Data Visualizations on Software Portal

July 07, 2020 (this-website)

The Visualize section of this website is benefitting from new development by our summer intern. Data we collect from GitHub is visualized in various ways, with additional visualizations planned. These efforts help us understand our repos’ activity, how they are being used, development trends, and more. Check out the new “Repo Licenses” viz and stay tuned for more!

Video: MFEM: Advanced Simulation Algorithms for HPC Applications

June 24, 2020 (multimedia)

MFEM is an open-source software library that provides advanced mathematical algorithms for use by scientific applications. By relying on MFEM, application scientists can quickly develop highly accurate physics simulation codes on a variety of platforms—from laptops to the world’s largest supercomputers. MFEM version 4.0 incorporates the most advanced techniques from the scientific computing research community, and its methods are widely applicable, highly impactful, and easy to use. A new video (runtime 7:07) features members of the LLNL development team, who describe how the software library works.

Podcast: The MFEM Finite Element Library Broadens GPU Support

June 08, 2020 (multimedia) (release)

MFEM is a lightweight, general, scalable C++ library for finite element methods. v4.1 was released in March. LLNL computational mathematician and MFEM PI Tzanio Kolev joined the Let’s Talk Exascale podcast to talk about the release and MFEM’s expanded GPU support. The podcast episode runs 6:28.

Learn more:

ISC Is Going Virtual

June 08, 2020 (event)

Although in-person conferences are not feasible this summer, LLNL will participate in the online ISC High Performance Conference (ISC20) on June 22–25. The event brings together the HPC community—from research centers, commercial companies, academia, national laboratories, government agencies, exhibitors, and more—to share the latest technology of interest to HPC developers and users. View details about LLNL’s papers, poster, and workshops.

Webcast: Open Source Doesn't Have to Be Scary

May 23, 2020 (event-report) (multimedia)

LLNL’s Ian Lee recently appeared on the Thought Leadership Consortium webcast entitled “Open Source Doesn’t Have to Be Scary.” Registration is free to watch the Zoom replay (01:25:00) on demand.

Podcast: Spack Attack!

May 22, 2020 (multimedia)

In a recent RSE Stories podcast, LLNL’s Todd Gamblin shares his journey at a national Lab and how getting angry at software led to development of a hugely popular package manager, Spack. The “Spack Attack!” episode runs 21:25. RSE is affiliated with the U.S. Research Software Engineer Association.

Podcast: Flexible Package Manager Automates the Deployment of Software on Supercomputers

April 28, 2020 (multimedia)

In this podcast episode (5:54) produced by the Exascale Computing Project, LLNL’s Todd Gamblin talks about Spack: its role in the ECP’s software stack, the Spack-related events at last fall’s SC19, and the package manager’s R&D 100 Award.

Podcast: Reducing the Memory Footprint and Data Movement on Exascale Systems

April 16, 2020 (multimedia)

In this podcast episode (12:36) produced by the Exascale Computing Project, LLNL’s Peter Lindstrom talks about ZFP project, which is a compressed representation of multidimensional floating-point arrays that are ubiquitous in high-performance computing.

LLNL to Host First Virtual Hackathon

April 12, 2020 (event)

Held since 2012, LLNL’s hackathons are 24-hour opportunities to brainstorm, foster creativity, prototype, and explore. Participants work in groups or individually and often strive to learn new skills, programming languages, and tools in service to LLNL’s missions. This year’s spring hackathon (April 30 through May 1) will be held virtually. In true hackathon spirit, several tech solutions will enable participants to collaborate remotely. Charalynn Macedo, division leader for LLNL’s Enterprise Applications Services, will kick off the event with a brief keynote presentation.

Podcast: Delivering Exascale Machine Learning Algorithms and Tools for Scientific Research

March 12, 2020 (multimedia)

In this podcast episode (10:42) produced by the Exascale Computing Project, LLNL’s Brian Van Essen joins Brookhaven and LBNL colleagues to discuss an ECP co-design center called ExaLearn. ExaLearn leverages machine learning and artificial intelligence to inform the requirements for exascale machines.

Podcast: Helping Applications Use Future Architectures with First-Rate Discretization Libraries

February 26, 2020 (multimedia)

In this podcast episode (9:47) produced by the Exascale Computing Project, LLNL’s Tzanio Kolev, discusses ECP’s Center for Efficient Exascale Discretizations (CEED), which is a hub for high-order mathematical methods to increase application efficiency and performance.

Video: Spack at FOSDEM '20

February 02, 2020 (event-report) (multimedia)

FOSDEM is an annual two-day event promoting the widespread use of free and open source software. The 2020 conference took place in Brussels, Belgium, on February 1–2. Videos of speakers, lightning talks, and other sessions are available on the FOSDEM website. LLNL’s Todd Gamblin led two sessions about the package manager Spack:

Podcast: R&D 100 Award-winning Software Enables I/O Performance Portability and Code Progress

December 06, 2019 (multimedia)

A software product called the Scalable Checkpoint/Restart (SCR) Framework 2.0 recently won an R&D 100 Award. SCR enables HPC simulations to take advantage of hierarchical storage systems, without complex code modifications.

In this podcast episode (12:18) produced by the Exascale Computing Project, LLNL’s Kathryn Mohror and Elsa Gonsiorowski talk about what SCR is and does, the challenges involved in creating it, and the impact it is expected to have on HPC performance.

LLNL’s Presence in HPC Shines Bright at SC19

December 05, 2019 (event-report)

The 2019 International Conference for High Performance Computing, Networking, Storage, and Analysis—better known simply as SC19—returned to Denver, and once again LLNL made its presence known as a force in supercomputing. The conference, held November 17 through 22, was attended by nearly 14,000 people representing 118 countries.

Many open source technologies were featured in LLNL’s technical program. Read the full recap on LLNL’s main website.

LLNL-Led Team Wins SC19 Best Paper Award

November 22, 2019 (event-report) (story)

On November 22, a panel of judges at the International Conference for High Performance Computing, Networking, Storage and Analysis (SC19) awarded a multi-institutional team led by LLNL computer scientists with the conference’s Best Paper award. The paper, entitled “Massively Parallel Infrastructure for Adaptive Multiscale Simulations: Modeling RAS Initiation Pathway for Cancer,” describes the workflow driving a first-of-its-kind multiscale simulation on predictively modeling the dynamics of RAS proteins—a family of proteins whose mutations are linked to more than 30 percent of all human cancers—and their interactions with lipids, the organic compounds that help make up cell membranes.

The team’s software, called MuMMI (Multiscale Machine-Learned Modeling Infrastructure), will soon be released as open source. Read more about the award on LLNL news.

Software Engineering 101: I have some code! Now what?

November 12, 2019 (event-report) (story) (this-website)

As part of LLNL’s Computing 101 speaker series, Ian Lee gave a talk to employees on November 12 titled “Software Engineering 101: I have some code! Now what?” The presentation reviewed the Lab’s resources for supporting software engineering and open source development.

Lee, who manages this website and leads many initiatives in the Lab’s open source community, aimed his remarks at relative newcomers to the software development landscape. He also updated the audience on the state of open source development at the Lab.

The Lab provides a wide range of support and solutions for just about any task a developer does: programming languages, package managers, computing platforms, code editors, version control systems, project communication, project tracking, documentation, and much more. Lee provided an overview of these options, offered advice about how to navigate the Lab’s software resources, and encouraged developers to take advantage of colleagues’ knowledge and experience.

Lee summarized the Lab’s recent open source activity, which echoes a trend toward developing “out in the open,”—i.e., not waiting for code to mature before releasing it for community feedback and contributions. (As this website shows, the Lab and affiliated GitHub organizations have almost 600 repos.) Accordingly, the Lab has updated its open source release policies to support modern code development practices.

Among open source projects Lee highlighted in his talk were 2019 R&D 100 Award winners Spack and SCR (Scalable Checkpoint/Restart) and the software stack underpinning the Exascale Computing Project.

Lee also demoed this website’s category-driven design changes, LLNL’s open source logo (and stickers), the @LLNL_OpenSource Twitter account, and Slack channels. He noted that LLNL may have a booth at PyCon 2020, which will be held April 15-23 in Pittsburgh. (Conferences such as PyCon provide LLNL’s open source software community with opportunities for networking, collaboration, and technical skills development. Lab employees interested in attending similar events may contact Ian Lee for funding.)

ESGF Architecture Workshop

November 08, 2019 (event-report)

Members of the Earth System Grid Federation (ESGF) gathered in Abingdon, England, on November 5-7 to kick off the redesign process for the Federation’s computing architecture. Since the original system was designed a decade ago, the number of ESGF’s supported projects and disciplines has grown and diversified. Furthermore, operational requirements are clearer for the ESGF to support an international federated archive of this size. Many of the ESGF nodes now have other functions beyond CMIP (the Coupled Model Intercomparison Project), and the landscape of data repository and science needs has changed.

Led by ESGF’s Executive Committee, the workshop team discussed improvements to the user experience, data repository and management, data compute requirements, and platform and system administration. This workshop concluded with a high-level roadmap for future architecture directions, which will be presented at the larger ESGF conference in March. LLNL’s delegates to the workshop were Ghaleb Abdulla (principal investigator and co-chair of the Executive Committee), Sasha Ames (member of multiple ESGF Working Teams) and Jason Boutte (Compute Working Team member).

Software Portal Redesign and GitHub Integration

July 30, 2019 (this-website)

Recently this website received several changes that improve the user’s experience, keep the content fresh, and help the admin team monitor and track all repositories under the LLNL organization on GitHub. We are excited to improve user access to LLNL’s 500+ open source repositories and appreciate the help of our summer intern, Angela Flores, who is pursuing a B.S. in computer science with a minor in cybersecurity from Cal State Long Beach.

New website features include:

*LLNL’s RADIUSS project—Rapid Application Development via an Institutional Universal Software Stack—aims to broaden usage across LLNL and the open source community of a set of libraries and tools used for HPC scientific application development.

Inaugural NAHOMCon19 Coming to San Diego

February 14, 2019 (event)

To all computational scientists, mathematicians, scientists, and engineers interested in high-order methods and PDEs: Several institutions have joined together to organize the inaugural North American High Order Methods Conference (NAHOMCon19). The conference will be held in San Diego in the summer of 2019 and will focus on the many developments in high-order discretizations and applications taking place in North America.

The DOE co-design Center for Efficient Exascale Discretizations (CEED) is pleased to participate in the conference. CEED is a partnership between two U.S. DOE laboratories (Livermore & Argonne) and five universities in support of the Exascale Computing Project.

Learn more:

Earth System Grid Federation's Annual Conference Coming Up

November 03, 2018 (event)

The LLNL-led international Earth System Grid Federation (ESGF) will meet December 3-7 in Washington, DC, to plan the future of Earth system data analysis and more. Registration info is available on the ESGF website along with the conference agenda. Fork this 2017 R&D 100 winner on GitHub.

Flux and Spack Events Coming to Supercomputing '18

October 27, 2018 (event)

LLNL staff are heading to Dallas, Texas, for the 30th annual Supercomputing Conference (SC18) on November 11–16. LLNL is leading 6 tutorials and 16 workshops with topics ranging from data analytics and data compression to performance analysis and productivity. LLNL-developed open-source tools Flux and Spack are subjects of a workshop and a tutorial, respectively. We hope to see you there!

Read more about our past experiences and tips for first-timers, and a complete list of LLNL-led sessions can be found on the LLNL Computing website (links unpublished in 2020). All times are listed in Central Standard Time.

Open-Source Developer Greg Becker Scales Projects and Mountains

October 26, 2018 (profile)

Is there a connection between rock climbing and software development? In this profile, LLNL’s Greg Becker describes his career path, motivation for improving HPC tools, and recent work with open-source projects like SCR, Caliper, and Spack.