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Software Portal Redesign and GitHub Integration July 30, 2019

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.

LLNL's Third Annual Developer Day Focuses on Career Lifecycle and Best Practices July 26, 2019

Initiated in 2017, Developer Day is a day-long, annual event that brings software developers together from all over LLNL. This year’s Dev Day included a panel discussion about onboarding new hires; short talks on topics ranging from staying engaged at work to learning unicode characters; and deep dives on software quality assurance and cloud services. The event featured a keynote address by Dr. Jeffrey Carver from the University of Alabama, who spoke about “Contemporary Peer Code Review Practices in Research Software.”

RAJA 0.9.0 Released July 25, 2019

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. The v.0.9.0 release includes new features:

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New Repo: Bridge Kernel July 25, 2019

Bridge Kernel is a Jupyter kernel for connecting to backends that implement the bridge kernel (bk) protocol. The bk protocol is a small client-server protocol that emphasizes minimal dependencies, easier embedding with MPI, secure connections, secure authenication, and automatic tunneling.

New Repo: SPIFY July 20, 2019

SPIFY, which stands for Spify Parser of Input Files with YAML syntax, is a C++ library for parsing input files to be used in scientific computing applications. The library allows an application developer to define a full set of required and optional input variable of different types and handles all of the parsing and validation.

New Repo: GIDIplus July 18, 2019

GIDIplus provides C++ libraries for accessing nuclear data from the Generalized Nuclear Database Structure (GNDS).

CEED’s Impact on Exascale Computing Project Efforts Is Wide-Ranging July 17, 2019

The Center for Efficient Exascale Discretizations (CEED) within the US Department of Energy’s ECP is helping applications leverage future architectures by developing state-of-the-art discretization algorithms that better exploit the hardware and deliver a significant performance gain over conventional methods. The focus is on high-order methods for high-fidelity and better machine utilization, with a range of orders providing flexibility in uncertain hardware and software environments.

The recent release of CEED v2.0 includes many open source projects such as 12 integrated Spack packages for libCEED, MFEM, Nek5000, NekCEM, Laghos, NekBone, HPGMG, OCCA, MAGMA, gslib, PETSc, and PUMI, plus an updated CEED “meta-package.”

Video: CASC Accelerates Scientific Discovery July 17, 2019

LLNL’s Center for Applied Scientific Computing (CASC) serves as a window to the broader computer science, computational physics, applied mathematics, and data science research communities. A new video showcasing CASC’s computational mathematics research debuted at the International Council for Industrial and Applied Mathematics (ICIAM) conference in July. Among the featured projects are open source repos MFEM, a library of scalable finite-element discretization and solver algorithms, and [XBraid] (https://github.com/XBraid/xbraid), a library of parallel-in-time solvers.

Charliecloud 0.10 Released July 16, 2019

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.

This release contains two important new features:

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VisIt 3.1 Released July 15, 2019

VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool. Among the enhancements included in v3.1 are:

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New Repo: CSLD July 13, 2019

Compressive Sensing Lattice Dynamics, or CSLD, provides a comprehensive package to study lattice dynamics from first-principles. The interatomic force constants were fitted using the compressive sensing algorithm. CSLD requires Python, C++, and Fortran 90 compilers for installation.

Why Do We Need Supercomputers and Who Is Using Them? July 10, 2019

PC Magazine recently featured LLNL’s supercomputing facility to find out how the supercharged machines handle everything from virtual nuclear weapons tests to weather modeling. The article highlights examples of simulations performed on the Lab’s computers, such as a fusion energy research experiment generated by the MFEM-based BLAST shock hydrodynamics code and visualized with VisIt.

Hypre 2.17 Released July 10, 2019

Hypre is a library of high-performance preconditioners and solvers featuring multigrid methods for the solution of large, sparse linear systems of equations on massively parallel computers. Version 2.17 changes the license from GNU to Apache 2.0/MIT.

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MacPatch 3.3.0.2 released July 08, 2019

MacPatch – used at LLNL to manage 3,000+ computers – simplifies the act of patching and installing software on Mac OS X based systems. The client relies on using the built-in software update application for patching the Mac OS X system updates and its own scan and patch engine for custom patches. v3.3.0.2 is a major release with a completely new UI and the backend updated to Python 3.

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New Repo: Zero-Order Reaction Kinetics (Zero-RK) July 01, 2019

Zero-Order Reaction Kinetics, or Zero-RK is a software package that simulates chemically reacting systems in a computationally efficient manner. The fundamental advance embodied in Zero-RK is the numerical approach, which results in orders-of-magnitude reduction in simulation time while maintaining the accuracy of the results.

New Repo: H5Z-ZFP June 28, 2019

H5Z-ZFP is a highly flexible floating-point and integer compression plugin for the HDF5 library using ZFP compression. The plugin supports ZFP versions 0.5.0 through 0.5.5. It also supports all 4 modes of the ZFP compression library as well as 1D, 2D, and 3D datasets of single and double precision integer and floating-point data. Check out the GitHub repo and the v1.0.0 release.

umap 2.0.0 Released June 26, 2019

Umap is a library that provides an mmap()-like interface to a simple, user- space page fault handler based on the userfaultfd Linux feature. The use case is to have an application specific buffer of pages cached from a large file (i.e. out-of-core execution using memory map). This release includes:

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Caliper 2.1.0 Released June 25, 2019

Caliper is a program instrumentation and performance measurement framework. It is designed as a performance analysis toolbox in a library, allowing one to bake performance analysis capabilities directly into applications and activate them at runtime. This release includes several improvements and new features:

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SUNDIALS 5.0.0-dev.1 Released June 24, 2019

SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. This version is a beta release of the next major SUNDIALS version and offers a preview of what is to come, including

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Kripke 1.2.4 Released June 18, 2019

Kripke is a simple, scalable, 3D Sn deterministic particle transport code. Its primary purpose is to research how data layout, programming paradigms and architectures effect the implementation and performance of Sn transport. A main goal of Kripke is investigating how different data-layouts effect instruction, thread and task level parallelism, and what the implications are on overall solver performance. v1.2.4 changes the software license to BSD 3-clause.

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