Knowledge Base Resources

• Introduction to OpenMP API

The following link elaborates the usage of OpenMP API and its related syntax. There are also several exercises available for learners to help them get familiar with this widely-used tool for multi-threaded realization.

• WarpX website

WarpX is an advanced particle-in-cell code used to model particle accelerators, which needs to be run on HPC. This website contains the tutorial on how to build WarpX on various HPC systems such as NERSC along with examples on how to set up post-processing/visualization tools for different physics cases.

This presentation gives a detailed breakdown of the outcome of my master's thesis which was focused on making HPC Clusters accessible across all disciplines in a university setting "Our Case Study was the university of Cincinnati".

• NCSA HPC-Moodle

Self-paced tutorials on high-end computing topics such as parallel computing, multi-core performance, and performance tools. Some of the tutorials also offer digital badges.

• FSL Courses

This is the official University of Oxford FSL group lecture page. This includes information on upcoming and past courses (online and in-person), as well as lecture materials. Available lecture materials includes slides and recordings on using FSL, MR physics, and applications of imaging data.

• JupyterLabIDE GitHub Repository

Iterative Programming takes place when you can explore your code and play with your objects and functions without needing to save, recompile, or leave your development environment. This has traditionally been achieved with a REPL or an interactive shell. The magic of Jupyter Notebooks is that the interactive shell is saved as a persistant document, so you don't have to flip back and forth between your code files and the shell in order to program iteratively. There are several editors and IDE's that are intended for notebook development, but JupyterLab is a natural choice because it is free and open source and most closely related to the Jupyter Notebooks/iPython projects. The chief motivation of this repository is to enable an IDE-like development environment through the use of extensions. There are also expositional notebooks to show off the usefulness of these features.

• DeepChem Tutorial

DeepChem is an open-source library built on TensorFlow and PyTorch. It is helpful in applying machine learning algorithms to molecular data.

• Singularity Documentation
• Apptainer Documentation

Singularity/Apptainer is a free and open-source container platform that allows users to build and run containers on high performance computing resources. SingularityCE is the community edition of Singularity maintained by Sylabs, a company that also offers commercial Singularity products and services. Apptainer is a fork of Singularity, maintained by the Linux foundation, a community of developers and users who are passionate about open source software.

• Dask Tutorial Github Page
• Video Recording of Tutorial - Part 1
• Video Recording of Tutorial - Part 2

A tutorial on the effective use of Dask on HPC resources. The four-hour tutorial will be split into two sections, with early topics focused on novice Dask users and later topics focused on intermediate usage on HPC and associated best practices. The knowledge areas covered include (but are not limited to): Beginner section High-level collections including dask.array and dask.dataframe Distributed Dask clusters using HPC job schedulers Earth Science data analysis using Dask with Xarray Using the Dask dashboard to understand your computation Intermediate section Optimizing the number of workers and memory allocation Choosing appropriate chunk shapes and sizes for Dask collections Querying resource usage and debugging errors

• Onshape Onboarding

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.

• Online Data Science Degree Programs

The realm of data science is one that onlookers regard with curiosity and respect. There are a lot of unknowns in this area of study that only recently became hugely relevant. It is important to get the facts on how expertise in data science is transforming the world. This article features what a bachelor’s degree means in today’s market and the future.

• Jetstream2 Status

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.

• Building the ArduPilot environment for Linux

This article provides instructions for building AirSim, an open-source simulator for autonomous vehicles, on Linux. It outlines the steps to build Unreal Engine, clone and build the AirSim repository, and set up the Unreal environment. It also includes information on how to use AirSim and optional setups such as remote control for manual flight.

• https://snakemake.readthedocs.io/en/stable/

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.

• Intro to Machine Learning on HPC

This tutorial introduces machine learning on high performance computing (HPC) clusters. While it focuses on the HPC clusters at The University of Arizona, the content is generic enough that it can be used by students from other institutions.

• GROMACS - MDTutorials.com
• OpenMM - Making It Rain
• NAMD - UIUC

Links to MD tutorials for beginner's across various simulation platforms.

• https://r4ds.had.co.nz/index.html

R for Data Science is a comprehensive resource for individuals looking to harness the power of the R programming language for data analysis, visualization, and statistical modeling. Whether you're a beginner or an experienced data scientist, this guide will help you unlock the full potential of R in the realm of data science.

• MNIST NN Tutorial

This tutorial will give you an introduction to neural networks using the ever-famous MNIST handwritten digits database! Presented by Robin Hwang.

• Termius

**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.

• Harnessing the Power of Cloud and Machine Learning for Climate and Ocean Advances
• Github for Outputs of Presentation

Documentation and presentation on how to use machine learning and deep learning framework using TensorFlow, Keras and sci-kit learn for Climate and Ocean Advances

• Beautiful Soup Docs

This package lets you easily scrape websites and extract information based on html tags and various other metadata found in the page. It can be useful for large-scale web analysis and other tasks requiring automated data gathering.

• Trusted CI

The mission of Trusted CI is to lead in the development of an NSF Cybersecurity Ecosystem with the workforce, knowledge, processes, and cyberinfrastructure that enables trustworthy science and NSF’s vision of a nation that is a global leader in research and innovation.

• Flexible and Robust Machine Learning Using mlr3 in R

The free online book for the mlr3 machine learning framework for R. Gives a comprehensive overview of the package and ecosystem, suitable from beginners to experts. You'll learn how to build and evaluate machine learning models, build complex machine learning pipelines, tune their performance automatically, and explain how machine learning models arrive at their predictions.

• DAGMan
• DAGMan Workflows

DAGMan (Directed Acyclic Graph Manager) is a meta-scheduler for HTCondor. It manages dependencies between jobs at a higher level than the HTCondor Scheduler. It is a workflow management system developed by the High-Throughput Computing (HTC) community, specifically for managing large-scale scientific computations and data analysis tasks. It enables users to define complex workflows as directed acyclic graphs (DAGs). In a DAG, nodes represent individual computational tasks, and the directed edges represent dependencies between the tasks. DAGMan manages the execution of these tasks and ensures that they are executed in the correct order based on their dependencies. The primary purpose of DAGMan is to simplify the management of large-scale computations that consist of numerous interdependent tasks. By defining the dependencies between tasks in a DAG, users can easily express the order of execution and allow DAGMan to handle the scheduling and coordination of the tasks. This simplifies the development and execution of complex scientific workflows, making it easier to manage and track the progress of computations.

• Handwritten Digits PyTorch

This tutorial is essentially the "hello world" of image recognition and feed-forward neural network (using PyTorch). Using the MNIST database (filled within images of handwritten digits), the tutorial will instruct how to build a feed-forward neural network that can recognize handwritten digits. A solid understanding of feed-forward and back-propagation is recommended.