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Charliecloud 0.13 Released January 14, 2020

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. In v0.13, the build system was rewritten, and the layout of the source code and installed files were changed significantly.

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Umpire 2.0.0 Released January 13, 2020

Umpire is a resource management library that allows the discovery, provision, and management of memory on next-generation architectures. v2.0.0 includes API changes and some new parameters.

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SUNDIALS 5.1.0 Released January 08, 2020

SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. Building off the v5.0.0 release in October, this release includes new utility functions, added support for a user-supplied function to update the prediction for each implicit stage solution in ARKStep, an updated MRIStep module, and more.

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BLT 0.3.0 Released January 08, 2020

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 repo includes unit testing and benchmarking. The v0.3.0 release includes support for target property macros, custom target names, and Cray compilers.

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New Repo: Varity January 02, 2020

Varity is a framework to identify variations in floating-point programs through randomized differential testing. Varity generates random tests that include floating-point operations and compile these tests with different compilers in a system. It also generates random floating-point inputs for the tests. When tests are executed, the results are compared to identify variations in the results. Varity helps users of a system to identify the compilers that produce the most similar results in the system.

New Repo: fpzip December 20, 2019

fpzip is a library and command-line utility for lossless and optionally lossy compression of 2D and 3D floating-point arrays. fpzip currently supports IEEE-754 single (32-bit) and double (64-bit) precision floating-point data. Read more about this repo and its relationship to the zfp repo.

RAJAPerf 0.6.0 Released December 19, 2019

The RAJA performance suite (RAJAPerf) is designed to explore performance of loop-based computational kernels found in HPC applications. v0.6.0 contains two new variants of each kernel (sequential-lambda and OpenMP-lambda) and several new kernels.

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Hatchet 1.0.0 Released December 12, 2019

Hatchet is a Python-based library that allows Pandas dataframes to be indexed by structured tree and graph data. Version 1.0.0 is the first major release of this software.

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CHAI 2.0.0 Released December 12, 2019

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 a major refactoring of the integration with the RAJA performance portability layer. CHAI now provides an ENABLE_RAJA_PLUGIN option that will build a plugin for RAJA enabling automatic data migration when CHAI and RAJA are linked in the same application.

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MFEM and VisIt Benefits Engineer in LLNL’s Design Optimization Laboratory December 10, 2019

MFEM and VisIt are key design codes in LLNL’s Center for Design and Optimization, which is developing algorithms that can optimize immensely complex systems in HPC environments. The MFEM library enables application scientists to prototype parallel physics application codes quickly, based on partial differential equations discretized with high-order finite elements. VisIt—a visualization, animation, and analysis tool—helps scientists and engineers interactively visualize and analyze data, from small (&lt101 core) desktop-sized projects to large (&gt105 core) leadership-class computing facility simulation campaigns. Learn more about the Center in the Science & Technology Review article “Leading a Revolution in Design.”

On the Spack Track at SC19 December 06, 2019

At the annual supercomputing conference (SC19) in Denver, Colorado, Spack events were held each day. As a reflection of its grassroots heritage, nine sessions were planned by more than a dozen thought leaders from seven organizations, including three DOE laboratories and Sylabs, the company behind Singularity. Thirteen thousand six hundred conference attendees had the chance to learn about Spack from two meet-and-greets, three birds-of-a-feather meetings, three papers, and more. This HPCwire article describes Spack’s history, functionality, impact, and user community through the many Spack-related events at SC19.

Podcast: R&D 100 Award-winning Software Enables I/O Performance Portability and Code Progress December 06, 2019

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

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.

Podcast: Software Enables Use of Distributed In-System Storage and Parallel File System December 05, 2019

For decades, HPC applications used a shared parallel file system for input/output (I/O), but the recent addition of new storage devices in systems—burst buffers, for example—has enabled the creation of a storage hierarchy. The hierarchy can be arranged such that in-system storage is the first level, and the parallel file system the second. For optimal performance, applications must change along with the architectures.

In this podcast episode (11:28) produced by the Exascale Computing Project, LLNL’s Kathryn Mohror and ORNL’s Sarp Oral talk about the open source tool UnifyFS, which can provide I/O performance portability for applications, enabling them to use distributed in-system storage and the parallel file system.

Spack 0.13.2 Released December 04, 2019

Spack is a flexible, configurable, Python-based, and open-source HPC package manager. Spack automates the installation and fine-tuning of simulations and libraries, operating on a wide variety of HPC platforms and enabling users to build many code configurations. Version 0.13.2 contains major performance improvements for Spack environments, such as:

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Maestrowf 1.1.6 Released December 04, 2019

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 new features such as:

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New Repo: Simplexdesign November 26, 2019

Simplexdesign is a collection of tools for the design of statistical experiments on Agent Based Models. It includes a coordinate exchange algorithm for homogeneous agents and, more generally, any simplex. The repo also includes an optimization algorithm for the case with multiple classes of homogeneous agents.

New Repo: Quantkriging November 26, 2019

Quantkriging is a method to model the uncertainty of a stochastic simulation by modelling both the overall simulation response and the output distribution at each sample point. The output distribution is characterized by dividing it into quantiles, where the division of each quantile is determined by kriging.

LLNL-Led Team Wins SC19 Best Paper Award November 22, 2019

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.

New Repo: Merlin November 19, 2019

Merlin is a tool for running machine learning based workflows. The goal of Merlin is to make it easy to build, run, and process the kinds of large scale HPC workflows needed for cognitive simulation. At its heart, Merlin is a distributed task queuing system, designed to allow complex HPC workflows to scale to large numbers of simulations. See the documentation for more information including configuration variables and FAQ.

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