NRP Training
Comprehensive NRP training sessions designed to help you get the most out of our National Research Platform. We are offering two identical comprehensive training sessions (Set A & Set B):
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Events
COMPLECS: Batch Computing: Working with the Linux Scheduler
A brief introduction to the Linux scheduler, how to interact with it, and run your research workloads on your personal computer, a shared workstation, or even a high-performance computing system.
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NRP Training
Comprehensive NRP training session designed to help you get the most out of our National Research Platform.
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Topographic change with OpenTopography: Adventures in cloud computing, spatial uncertainty, and impactful applications
Topographic differencing measures landscape change at the Earth’s surface due to natural and anthropogenic processes. OpenTopography, an NSF-funded data facility, provides access to topographic data and processing tools. OpenTopography has recently developed on-demand topographic differencing and uncertainty calculation tools that can be applied to roughly 25% of the US mainland. Our uncertainty tool, available via a cloud-based app and Jupyter notebook, quantifies the magnitude of uncertainty at multiple spatial scales, mirroring the variable scales of common error types. We demonstrate these capabilities by calculating topographic change for the 2025 Eaton and Palisades Fires in Los Angeles.
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COMPLECS: Linux Tools for Text Processing
An overview of commonly used Linux tools for searching and manipulating text. We progress from the simplest tools, such as head, tail, cut, paste, to more complex tools grep, awk and sed.
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Architecting Reproducible Science: A Practical Path Beyond the Notebook
Jupyter Notebooks are great for exploration, but terrible for reproducibility and scaling. This talk shows how to migrate notebook code into a structured Python package that can run anywhere—locally, on HPC clusters, or in automated pipelines. We’ll connect these practices to early-stage MLOps concepts, illustrating how packaging is the foundation for reproducible scientific computing.
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COMPLECS: Data Transfer
Efficiently transferring data is a critical part of building research workflows, whether working with experimental or simulated data on local or high-performance computing (HPC) systems. Here, we introduce key concepts and command-line tools for data transfer, including how to verify data integrity, use compression, and select appropriate transfer methods based on data size, location, and organization.
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COMPLECS: Interactive Computing
Interactive high-performance computing (HPC) involves real-time user inputs that result in actions being performed on HPC compute nodes. This session presents an overview of interactive computing tools and methods.
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COMPLECS: Linux Shell Scripting
Shell scripting improves productivity and reduces errors in HPC workflows by automating tasks like data processing, backups, and system monitoring. This session builds on basic Linux command-line skills to teach Bash scripting syntax, constructs, and best practices for effective automation.
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Fine Tuning Large Language Models (LLMs) with Domain Specific Datasets
Large language models (LLMs) are trained on massive, publicly available text datasets containing trillions of tokens. However, these models do not necessarily possess sufficient subject matter expertise and often struggle to provide meaningful responses to specialized prompts. Therefore, fine-tuning LLMs with domain-specific datasets – extracted from documents, articles, and other sources – is crucial. In this presentation, we will demonstrate fine-tuning a few smaller LLMs with LoRA approach using instruct datasets on Gaudi hardware.
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COMPLECS: Getting Started with HPC - 2-Day Workshop
SAVE THE DATE - This two-day virtual workshop is an extension of the COMPLECS webinar series to provide more in-depth discussion and complementary hands-on experience. This opportunity is designed to help users strengthen skills using HPC (High-Performance Computing) systems.
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COMPLECS: Data Storage and File Systems
High-performance computing (HPC) systems use various specialized storage and file systems, each with different performance levels and best-use scenarios. Here, we explain how to properly use these systems for your research. We also introduce common filesystems, their architectures, appropriate I/O patterns, and key Linux tools for managing storage usage, backups, and file permissions.
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Seventh National Research Platform (7NRP) Workshop
Please save the date! The 7NRP Workshop will take place in La Jolla, California from Tuesday, May 5, 2026 through Thursday, May 7th. The Workshop will cover both the current state of NRP as well as its future direction.
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From Atoms to Algorithms: GPU Acceleration of Molecular Dynamics, DFT, and QM/MM Simulations
This talk highlights advances in GPU-accelerated molecular simulations and the hardware that enables them. We will begin with an overview of modern GPU architectures, supercomputers, and programming models that leverage massive parallelism for scientific computing. We will then discuss GPU-optimized molecular dynamics simulations with Amber and quantum chemistry calculations with QUICK, a massively parallel Hartree-Fock and DFT program that performs all major computations on GPUs. Together, these tools enable efficient QM/MM molecular dynamics simulations across diverse GPU platforms. Advances in software and GPU technology are thus transforming the scale and accuracy of simulations for complex chemical and biological systems.
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COMPLECS: Using Regular Expressions with Linux Tools
Essentials of using regular expressions (regexes) with the Linux tools grep, awk and sed. Topics include quantifiers, wildcards, grouping, alternation, word boundaries, lazy and greedy matching and regex flavors. Attendees should at least be familiar with grep.
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COMPLECS: Code Migration
This session introduces key strategies for transitioning computations to HPC systems, including using pre-installed software, compiling code with appropriate tools, and setting up Python, R, and conda environments. It also covers workflow management and introduces containerized solutions with Singularity, featuring hands-on practice on SDSC resources.
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