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Maestrowf 1.1.7 Released May 17, 2020 (release)

Maestrowf is a tool for specifying and conducting general workflows locally and on supercomputers. Maestro parses a human-readable YAML specification that is self-documenting and portable from one user and environment to another. This release contains many enhancements, including

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Working Remotely: The Spack Team May 16, 2020 (story)

Better Scientific Software’s blog features a post about the Spack team’s experience working remotely and interacting with the Spack community. LLNL’s Todd Gamblin offers insight into making the most of online communication opportunities and stresses the importance of providing robust documentation so users can help themselves.

Webcast: Open Source Doesn’t Have to Be Scary May 14, 2020 (event)

LLNL’s Ian Lee will be featured in a webcast from the Dots and Bridges Thought Leadership Consortium. The event is slated for May 21, 2020, from 12:00 PM to 1:00 PM (EST). Participants must register. Webcast abstract:

When it comes to open source, dispelling myths and crystallizing reality are essential. Too often, the conversation focuses on open source as a competitor to proprietary code versus a complementary tool to existing investments. In fact, you may be surprised to discover some of the leading for-profit companies that are using, sponsoring, and contributing to open source projects. At the end of the day, open source is less about Control and more about Community.

New Repo: BMSL May 14, 2020 (new-repo)

BMSL, the Bayesian Multitask with Structure Learning model, is a repository that accompanies a paper: “Bayesian Multitask Learning Regression for Heterogeneous Patient Cohorts” from the Journal of Biomedical Informatics. Multitask learning (MTL) is a sub-field of machine learning in which individual models for performing potentially related tasks are learned jointly. The Bayesian MTL model infers the task relationship structure directly from the data.

CHAI 2.1.0 Released May 13, 2020 (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 includes support for global callbacks and pinned host memory. The Umpire submodule has also been updated to v2.1.0.

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Hatchet 1.1.0 Released May 07, 2020 (release)

Hatchet is a Python-based library that allows Pandas dataframes to be indexed by structured tree and graph data. Version 1.1.0 includes additonal pandas support, a GraphFrame reindex operator, and more tests.

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New Repo: WCS May 06, 2020 (new-repo)

WCS (short for Whole Cell Simulator) is a comprehensive, multi-scale computational model representing all the known biochemical processes in a cell. It relies on a variety of intracellular pathway models and omics data.

Maestro Workflow Conductor May 04, 2020 (story)

Maestro Workflow Conductor is a lightweight Python tool that can launch multi-step software simulation workflows in a clear, concise, consistent, and repeatable manner. It does this locally as well as on supercomputers. LLNL Computing recently published a project description, highlighting the challenges in scientific workflows that Maestro solves. “Before Maestro, it took a long time to stand up new workflows. Maestro has changed that by providing a consistent framework that can break down workflows into smaller pieces, and facilitate automated execution,” said project leader Frank Di Natale. Check out the Maestrowf repo.

New Repo: GIDIplus April 29, 2020 (new-repo)

GIDIplus is a suite of C++ libraries for accessing nuclear data from the Generalized Nuclear Database Structure (GNDS). Test data is not included in the repository but is available for download.

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.

Variorum 0.3.0 Released April 23, 2020 (release)

Variorum is a platform-agnostic library exposing monitor and control interfaces for several features in hardware architectures. Its general interfaces provide privileged functionality for monitoring and controlling various hardware-level features of multiple hardware architectures. The latest release includes:

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Gotcha 1.0.3 Released April 20, 2020 (release)

Gotcha is a library that provides function wrapping, interposing a wrapper function between a function and its callsites. Tools can use Gotcha’s programmable API to install hooks into other libraries. Version 1.0.3 includes interfaces for filtering which libraries are targeted for wrapping.

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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.

ISC Is Going Virtual April 08, 2020 (event)

The ISC (formerly known as the International Supercomputing Conference) caters to the hardware and software demands of global research centers and businesses in the fields of HPC, artificial intelligence, machine learning, and data analytics. Instead of meeting in Frankfurt, Germany, this year the conference will be held online during June 22-24. Stay tuned for more information as the program is finalized.

Charliecloud 0.15 Released April 06, 2020 (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 0.15 includes expanded capabilities, examples, and test suite.

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New Repo: QnD April 05, 2020 (new-repo)

QnD (short for Quick and Dirty: Python Binary Storage Interface) is a simple, user-friendly API for storing numpy ndarrays in binary files. It is written as a frontend capable of supporting multiple backend file formats.

libCEED 0.6 Released April 01, 2020 (release)

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. 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. libCEED is a C99 library with no external dependencies.

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Variorum 0.2.0 Released March 13, 2020 (release)

Variorum is a platform-agnostic library exposing monitor and control interfaces for several features in hardware architectures. Its general interfaces provide privileged functionality for monitoring and controlling various hardware-level features of multiple hardware architectures. The latest release includes:

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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.


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