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SCR 2.0 Released March 29, 2019

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. The 2.0 release marks a milestone in SCR’s long history of bringing dependable, scalable, file set management to multiple HPC platforms.

Some highlights include:

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SUNDIALS 5.0.0-dev.0 Released March 28, 2019

SUNDIALS is a SUite of Nonlinear and DIfferential/ALgebraic equation Solvers. In this release, an additional N_Vector implementation, NVECTOR_MANYVECTOR, was created to support flexible partitioning of solution data among different processing elements (e.g., CPU + GPU) or for multi-physics problems that couple distinct MPI-based simulations together. Eleven new optional vector operations have also been added to the N_Vector API to support the new NVECTOR_MANYVECTOR implementation.

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RAJA 0.8.0 & RAJAPerf 0.5.0 Released March 28, 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 RAJA performance suite (RAJAPerf) is designed to explore performance of loop-based computational kernels of the sort found in HPC applications.

In RAJA v0.8.0, the build system was updated to use the latest version of BLT (or close to it). Depending on how one builds RAJA, this could require changes to how information is passed to CMake. The RAJAPerf 0.5.0 release contains several new kernels, plus substantial changes to many CUDA kernel variants to improve performance.

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The Linux Foundation's Open Source Leadership Summit March 15, 2019

The Linux Foundation’s Open Source Leadership Summit occurred in Half Moon Bay, California, on Thursday, March 14. LLNL’s Todd Gamblin presented “Open Source in the Exascale Computing Project: Building a Software Ecosystem for Science.” Check out the conference schedule.

This presentation covered the challenges of building software for machines that don’t exist yet, and how government laboratories, academia, and industry are collaborating to build a highly optimized software distribution. From deploying services like GitLab CI and JupyterHub in high-security HPC centers, challenges for architecture-specific containers, the use of Spack to package and distribute optimized binaries, and the social hurdles of scientists and developers working together, this talk summarized the open source challenges in DOE’s largest-ever HPC software project.

New Repo: FGPU March 14, 2019

FGPU is a collection of code examples focusing on porting FORTRAN codes to run on GPU architectures. The repo includes learning aids for developers and a regression test for compilers supporting OpenMP4.5, OpenACC, CUDA FORTRAN, and more. While FGPU’s examples have a heavy FORTRAN emphasis, some examples also include C++ usage. Check out the GitHub repo.

Charliecloud 0.9.8 Released March 11, 2019

Charliecloud provides user-defined software stacks (UDSS) 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 includes:

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The Great Migration: VisIt Moves from SVN to GitHub March 08, 2019

Software development is often a story of teamwork and determination. It’s a tale of persistence through failure toward, ideally, success. At LLNL, this story plays out in countless daily iterations as software teams strive to advance the Lab’s national security mission. When it comes to supporting both stockpile stewardship and foundational science, the VisIt visualization tool is the backbone of LLNL’s computer simulation analysis and visualization capabilities.

For the VisIt team, migration is modernization. Some of VisIt’s original development technologies are now considered ancient. But migrating 2 million lines of code is easier said than done. Go behind the scenes as an LLNL team discusses the logistics, challenges, and benefits of VisIt’s complicated move to GitHub.

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CCT 1.0.4-M2.1 Released March 06, 2019

The Coda Calibration Tool (CCT) calculates reliable moment magnitudes for small- to moderate-sized seismic events. After the January 25 release, you spoke and we listened! This is a minor bugfix and feature update release based on community feedback. Changes include:

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Caliper 2.0 Released March 04, 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. Caliper is primarily aimed at HPC applications but works for any C/C++/Fortran program on Unix/Linux.

Functionality in v2.0 includes the new Channel API, which allows multiple, independent measurement configurations to be active at the same time.

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Magpie 2.1 Released March 02, 2019

Magpie allows Hadoop and similar data analytics frameworks to run on LLNL’s HPC systems. Magpie instantiates the framework within the context of a batch job – rather than on a persistent, dedicated cluster – and by reading and writing from the Lustre parallel HPC file system instead of local disk drives.

v2.1 includes support for several versions of Hbase, Spark, Hadoop, and Zeppelin.

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Conduit 0.4 Released March 01, 2019

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 Core API provides a flexible way to describe and access hierarchical data. v0.4 includes several new functions, new Blueprint protocols, and enhanced Relay support.

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UnifyCR 0.2.0 Released February 25, 2019

Unify is a suite of specialized, flexible file systems – this one is for checkpoint/restart workloads – that can be included in a user’s job allocations. This v0.2.0 release builds on the repo’s initial release from January.

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Umpire 0.3.2 Released February 25, 2019

Umpire is a resource management library that allows the discovery, provision, and management of memory on next-generation architectures. (Please download the umpire-0.3.2.tar.gz file, rather than the automatically generated files. These do not include all the necessary submodule code.)

v0.3.1 includes:

v0.3.2 includes:

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New Repo: UMAP February 20, 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 (starting with 4.3 linux kernel). 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.

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Inaugural NAHOMCon19 Coming to San Diego February 14, 2019

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 partinership between two U.S. DOE laboratories (Livermore & Argonne) and five universities in support of the Exascale Computing Project.

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SUNDIALS 4.1.0 Released February 13, 2019

In this release:

Important notes:

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ESGF Conference Caps a Productive Year February 12, 2019

Held in Washington, DC, the Earth System Grid Federation’s (ESGF) 8th annual face-to-face conference was a lively, fruitful affair. The event packed 40 presentations, several plenary sessions, a poster session, guest speakers, an awards ceremony, and an executive committee meeting into the week.

The federation houses an enormous database of global observational and simulation data—more than 5 petabytes—and manages the HPC hardware and software infrastructure necessary for scientific climate research. In the nearly two decades since its launch, ESGF has grown to serve 25,000 users on 6 continents.

Among ESGF’s 2018 milestones were support for CMIP6 data (thanks to input4MIPs and obs4MIPs initiatives), beta v3.0 of the software stack installer, OAuth single sign-on integration, and progress in containerized architecture. Read more about the conference and check out ESGF’s GitHub repo.

Charliecloud 0.9.7 Released February 12, 2019

Charliecloud provides user-defined software stacks (UDSS) 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 includes:

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LBANN 0.9 Released February 11, 2019

The Livermore Big Artificial Neural Network toolkit (LBANN) is an open-source, HPC-centric, deep learning training framework that is optimized to compose multiple levels of parallelism.

v0.9 is LBANN’s initial release. The release notes linked below contain details about v0.9x iterations. Some deprecated features have been retired. At a high level, this release includes new development in these areas:

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HiOp 0.2 Released February 01, 2019

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.

HiOp’s initial release occurred in December 2017. This v0.2 includes:

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