How Open Source Software Supports the Largest Computers on the Planet

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LLNL-PRES-754800 This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC How Open Source Supports the Largest Computers on the Planet Best Practices for HPC Software Developers Ian Lee Lawrence Livermore National Laboratory July 18, 2018

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LLNL-PRES-754800 2 software.llnl.gov

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LLNL-PRES-754800 3 software.llnl.gov

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LLNL-PRES-754800 4 software.llnl.gov https://upload.wikimedia.org/wikipedia/commons/a/a8/U.S._National_labs_map.jpg

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LLNL-PRES-754800 5 software.llnl.gov http://www.ex-astris-scientia.org/articles/new_enterprise/enterprise-warpcore.jpg

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LLNL-PRES-754800 6 software.llnl.gov https://pixabay.com/get/e833b10d2af4083ed1534705fb0938c9bd22ffd41db612439df7c17ba0/silos-1602209_1920.jpg

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LLNL-PRES-754800 7 software.llnl.gov 1960s 1970s 1980s 1990s 2000s 2010s Pioneering simulations of particle tracking CDC 3600 CDC 7600 Ozone mixing models CRAY 1 ASCI Blue- Pacific Helping the medical community plan radiation treatment Unprecedented dislocation dynamics simulations BlueGene Breakthrough visualizations of mixing fluids Dynamics in three dimensions Global climate modeling Detailed predictions of ecosystems Petascale and exascale computing

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LLNL-PRES-754800 8 software.llnl.gov § 3 out of 16 #1 systems over last 20 years Top500.org ASCI White Nov 2000 – Nov 2001 BlueGene/L Nov 2004 – Nov 2007 Sequoia June 2012 https://www.top500.org/resources/top-systems/

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LLNL-PRES-754800 9 software.llnl.gov Sierra

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LLNL-PRES-754800 10 software.llnl.gov ZFS on Linux § ZFS is an open source filesystem and volume manager designed to address the limitations of existing storage solutions § 2011: Available for Linux § Ten LLNL filesystems, totaling ~ 100PB § Ships in Ubuntu 16.04 http://zfsonlinux.org

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LLNL-PRES-754800 19 software.llnl.gov https://software.llnl.gov

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LLNL-PRES-754800 20 software.llnl.gov LLNL Open Source Presence https://software.llnl.gov/explore

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LLNL-PRES-754800 21 software.llnl.gov LLNL Open Source Engagement https://software.llnl.gov/explore

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LLNL-PRES-754800 22 software.llnl.gov LLNL Open Source Activities https://software.llnl.gov/explore

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LLNL-PRES-754800 23 software.llnl.gov

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LLNL-PRES-754800 24 software.llnl.gov Science & Technology Review “Our large collection of software is a precious Laboratory asset, one that benefits both Lawrence Livermore, and in many cases, the public at large.” - Bruce Hendrickson Associate Director, Computation https://str.llnl.gov/2018-01/comjan18

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LLNL-PRES-754800 25 software.llnl.gov https://www.exascaleproject.org/more-on-the-software-that-underpins-the-exascale-computing-project/

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LLNL-PRES-754800 26 software.llnl.gov § “Federal Source Code Policy: Achieving Efficiency, Transparency, and Innovation through Reuseable and Open Source Software” — “Agencies shall make custom-developed code available for Government-wide reuse and make their code inventories discoverable at https://www.code.gov (“Code.gov”) […]” — “[…] establishes a pilot program that requires agencies, when commissioning new custom software, to release at least 20 percent of new custom-developed code as Open Source Software (OSS) […]” Federal Source Code Policy https://sourcecode.cio.gov https://code.gov & https://sourcecode.cio.gov

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LLNL-PRES-754800 27 software.llnl.gov https://code.gov

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LLNL-PRES-754800 28 software.llnl.gov https://osti.gov/doecode

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LLNL-PRES-754800 29 software.llnl.gov https://government.github.com

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LLNL-PRES-754800 30 software.llnl.gov US Government Organizations on GitHub https://government.github.com/community/

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Thank You! [email protected] @IanLee1521 // @LLNL_OpenSource https://speakerdeck.com/IanLee1521

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This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Rference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes.

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LLNL-PRES-754800 33 software.llnl.gov TOSS – Tri-Lab Operating System Software § Built on Red Hat Enterprise Linux — Not an HPC distribution § Adds LLNL developed additions and patches to support HPC — Low Latency Interconnect: Infiniband — Parallel File System: Lustre — Resource Manager: SLURM § Work closely with open communities Components not in TOSS Supported Linux Commodity Hardware Platform Kernel, Infiniband, Message Passing Interface Batch Scheduler (MOAB) User Environment Lustre File Systems Compiler & Development Tools Resource Manager (SLURM) TOSS Components HPSS Hopper LLNL-PRES-550311 TOSS is a software stack for HPC – large, interconnected clusters!

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LLNL-PRES-754800 34 software.llnl.gov § Began as simple resource manager — Now scalable to 1.6M+ cores (sequoia) § Launch and manage parallel jobs — Large, parallel jobs, often MPI § Queuing and scheduling of jobs — Much more work than resources http://slurm.schedmd.com http://slurm.schedmd.com http://www.ibm.com/developerworks/library/l-slurm-utility/figure3.gif

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LLNL-PRES-754800 35 software.llnl.gov § Family of projects used to build site-customized resource management systems § flux-core — Implements the communication layer and lowest level services and interfaces § flux-sched — Consists of an engine that handles all the functionality common to scheduling § capacitor — A bulk execution manager using flux-core, handles running and monitoring 1000’s of jobs http://flux-framework.github.io

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LLNL-PRES-754800 36 software.llnl.gov § Handles combinatorial explosion of ABI-incompatible packages § All versions coexist, binaries work regardless of user’s environment § Familiar syntax, reminiscent of brew, yum, etc $ spack install mpileaks unconstrained $ spack install [email protected] @ custom version $ spack install [email protected] %[email protected] % custom compiler $ spack install [email protected] %[email protected] +threads +/- build option $ spack install [email protected] os=SuSE11 os= $ spack install [email protected] os=CNL10 os= $ spack install [email protected] os=CNL10 target=haswell target= SPACK https://spack.io

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LLNL-PRES-754800 37 software.llnl.gov § Manages the first-ever decentralized database for handling climate science data § Multiple petabytes of data at dozens of federated sites worldwide § International collaboration for the software that powers most global climate change research https://github.com/ESGF https://esgf.llnl.gov

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LLNL-PRES-754800 38 software.llnl.gov VisIt § Originally developed to visualize and analyze the results of terascale simulations § Interactive, scalable, visualization, animation and analysis tool § Powerful, easy to use GUI § Distributed and parallel architecture allows handling extremely large data sets interactively https://visit.llnl.gov

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LLNL-PRES-754800 39 software.llnl.gov https://computation.llnl.gov/casc

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LLNL-PRES-754800 40 software.llnl.gov https://code.gov/#/explore-code/agencies/DOE

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LLNL-PRES-754800 41 software.llnl.gov Public US Government GitHub Data Scrape § 252 US Government Orgs — U.S. Federal (137) — U.S. Military and Intelligence (12) — U.S. Research Labs (103) § 8716 Open Source Repositories https://github.com/LLNL/scraper/pull/3 LLNL 5% Other US Governm ent 95%