Knowledge Base Resources

This workshop has an introduction to the concepts of visualization followed by hands on exercises. The concepts section has Speaker Notes, and the hands on section has an accompanying Jupyter notebook. The workshop is one in a series of Introduction to HPC

A comprehensive collection of NERSC developed training and tutorial events, offered on regular schedules. All sessions are archived, including slide decks, video recordings, and software examples as are available. Some examples of past training and tutorial topics are listed below Deep Learning for Sciences Webinar Series BerkeleyGW Tutorial Workshop VASP Trainings Timemory Software Monitoring Tutorial, April 2021 HPCToolkit to Measure and Analyzing GPU Applications Performance Tutorial Totalview Tutorial NVidia HPCSDK - OpenMP Target Offload Training Parallelware Training Series ARM Debugging and Profiling Tools Tutorial Roofline on NVIDIA GPUs GPUs for Science events 3-part OpenACC Training Series 9-part CUDA Training Series

MOPAC (Molecular Orbital PACkage) is a semi-empirical quantum chemistry package used to compute molecular properties and structures by using approximations of the Schrödinger equation. This tutorial explains the process of using MOPAC for different forms of calculations.

The Biopython Tutorial and Cookbook website is a dedicated online resource for users in the field of computational biology and bioinformatics. It provides a collection of tutorials and practical examples focused on using the Biopython library. The website offers a series of tutorials that cover various aspects of Biopython, catering to users with different levels of expertise. It also includes code snippets and examples, and common solutions to common challenges in computational biology.

Jetstream2 makes cutting-edge high-performance computing and software easy to use for your research regardless of your project’s scale—even if you have limited experience with supercomputing systems.Cloud-based and on-demand, the 24/7 system includes discipline-specific apps. You can even create virtual machines that look and feel like your lab workstation or home machine, with thousands of times the computing power.

Scikit-learn is free software machine learning library for Python. It has a variety of features you can use on data, from linear regression classifiers to xg-boost and random forests. It is very useful when you want to analyze small parts of data quickly.

A lecture and notes with the goal of teaching introductory python. Starting by understanding how to download and start using python, then expanding to basic syntax for lists, arrays, loops, and methods.

This webinar series is an orientation to R. We start with an overview of R’s history and place in the larger data science ecosystem. Next, we introduce the R Studio user interface and how to access R’s excellent documentation. Finally, we present the fundamental concepts you need to use the R environment and language for data analysis. Along the way, we compare R script files (.R) to R Notebook (.Rmd) files and show how the features of R Notebook support better communication and encourage more dynamic engagement with statistical analysis and code. It is helpful to be familiar with tabular data analysis using statistical software, database tools, or spreadsheet programs. Workshop materials, including setup directions and slides are available at https://github.com/CornellCAC/r_for_edu/ The Rstudio Cloud project used in the workshop is https://rstudio.cloud/project/4044219.

**Termius: The Modern SSH Client for 2023** Termius is the future-facing SSH client that's redefining remote server access in 2023. Designed for ease and efficiency, Termius offers a seamless connection experience across all devices, be it mobile or desktop. Gone are the days of re-inputting IP addresses, ports, and passwords; with Termius, one-click connectivity is the new norm. **How Termius Elevates Remote Server Access:** 1. **One-Click Connectivity:** Save the hassle of remembering and re-entering connection details. Termius provides an immediate connection to your infrastructure with a single click. 2. **Synchronized Across Devices:** Termius ensures that your data, connection settings, and preferences are consistent across all your devices, from mobile to desktop. 3. **Unparalleled Security:** With the Cloud Vault feature, users can securely store their data in an encrypted environment, accessible only from their specific devices. Shared vaults allow for safe connection sharing within teams. 4. **AI-Powered Terminal Experience:** Advanced AI-driven autocomplete means users can input command descriptions, and Termius will swiftly convert them into accurate bash commands, simplifying and enhancing the terminal interaction. 5. **Collaborative Troubleshooting:** Share terminal sessions with teammates, facilitating cooperative problem-solving or knowledge sharing. No additional server-side installations needed. 6. **Automation and Snippets:** Streamline routine processes with the ability to save and run frequently used shell scripts. Sharing these Snippets with your team can lead to increased productivity and fewer manual errors. 7. **All-Device Compatibility:** Whether on iPad, iPhone, Android, macOS, Windows, or Linux, Termius ensures a consistent and fluid experience. The platform's synchronization capability means you're always ready to respond swiftly, irrespective of the device in use. For professionals and businesses aiming for top-notch server access efficiency, Termius is the gold standard in 2023. Experience the revolution in SSH connectivity and optimize your workflow with Termius.

These slides provide an introduction on how Termius and Cursor, two new and freemium apps that use AI to perform more efficient work, can be used for faster HPC research.

The daily news clearly shows the increasing threat to safety and privacy of data, personal as well as intellectual property. While the requirements such as DFARS 7012, HIPAA, and Cybersecurity Maturity Model Certification (CMMC) improve the consistency of data handling between agencies and contractors and grantees, it leaves academic institutions to figure out how to meet such requirements in a cost-effective way that fits the research and education mission of the institution. Most institutions, agencies, and companies act in isolation with one-off contract language to address data security and safeguarding concerns. Even though cybersecurity has a clear and uniform goal of protecting data, a onesize solution does not fit all academic institutions. By supporting this community with development of a community strategic roadmap, regular discussions and workshops, and a repository of generalized and specific resources for handling regulated research programs RRCoP lowers the barrier to entry for institutions handling new regulations.

OpenStack Tutorial For Beginners

Chameleon is an NSF-funded testbed system for Computer Science experimentation. It is designed to be deeply reconfigurable, with a wide variety of capabilities for researching systems, networking, distributed and cluster computing and security.

NCSA is the home of Delta, a computing and data resource that balances cutting-edge graphics processor and CPU architectures with a non-POSIX file system with a POSIX-like interface. Delta allows applications to reap the benefits of modern file systems without rewriting code.

Neurodesk provides a containerised data analysis environment to facilitate reproducible analysis of neuroimaging data. Analysis pipelines for neuroimaging data typically rely on specific versions of packages and software, and are dependent on their native operating system. These dependencies mean that a working analysis pipeline may fail or produce different results on a new computer, or even on the same computer after a software update. Neurodesk provides a platform in which anyone, anywhere, using any computer can reproduce your original research findings given the original data and analysis code.

Data visualization is a critical aspect of data analysis. It allows for a clear and concise representation of data, making it easier for users to understand and interpret complex datasets. One of the most popular libraries for data visualization in Python is Matplotlib. The included website aims to provide a brief overview of Matplotlib, its features, and examples/exercises to dive deeper into its functionalities.

Workshop for beginners and intermediate students in MPI which includes helpful exercises. Open MPI documentation.

Regular expressions (sometimes referred to as RegEx) is an incredibly powerful tool that is used to define string patterns for "find" or "find and replace" operations on strings, or for input validation. Regular Expressions are used in search engines, in search and replace dialogs of word processors and text editors, and text-processing Linux utilities such as sed and awk. They are supported in many programming languages, including Python, R, Perl, Java, and others.

Slides for a tutorial on Machine Learning applications in Engineering and parameter tuning given at the RMACC conference 2019.

This is a self guided online course on compilers. The topics covered throughout the course include universal compilers topics like intermediate representations, data flow, and “classic” optimizations as well as more research focusedtopics such as parallelization, just-in-time compilation, and garbage collection.

Snakemake is a powerful and versatile workflow management system that simplifies the creation, execution, and management of data analysis pipelines. It uses a user-friendly, Python-based language to define workflows, making it particularly valuable for automating and reproducibly managing complex computational tasks in research and data analysis.

Purdue University is the home of Anvil, a powerful supercomputer that provides advanced computing capabilities to support a wide range of computational and data-intensive research spanning from traditional high-performance computing to modern artificial intelligence applications.

A couple of resources that: 1.) Presents and defends a git branching workflow for stable collaborative git based projects. ("A Successful Git Branching Model") 2.) Maps "What do you want to do?" to the commands necessary to accomplish it. ("Git Flight Rules")

This contains documentation for getting started with using OnShape for CAD. OnShape cloud-hosted CAD software that lets you work with others like on a Google Doc, with the power and capabilities of any other software like Solidworks or Inventor.