Knowledge Base Resources
Use these links “vetted” by the community. Additional CI links are always welcome.
High Performance Computing (HPC) 101 - Cluster
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High Performance Computing (HPC) Cluster
Bash shell tutorial
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Training materials for using the bash (and zsh) shell.
ACCESS Video Learning Center
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A library of short videos about ACCESS allocations, resources and support.
Moving-Lid-Driven Flow Simulation by Finite Difference Method
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The listed repository contains code written in C++ to model the flow inside a cavity with a lid moving above from left to right by discretizing incompressible N-S equations with finite difference method. For the governing equations, artificial viscosity has been considered to increase the stability. In terms of solving the resulted algebraic equation system, both the Point Jacobi Method and Symmetric Gauss Seidel methods have been used for the iteration process.
The Theory Behind Neural Networks (Very Simplified)
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This video by the YouTube channel 3Blue1Brown provides a very simplified introduction to the theory behind neural networks. This tutorial is perfect for those that don't have much linear algebra or machine learning background and are eager to step into the realm of ML!
Creating a Mobile Application
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Goes through in detail on how to build an application that can run on Android and IOS devices, using Qt Creator to develop Qt Quick applications. Goes through the setting up, creation, configuration, optimization, and overall deployment. This provides the fundamental basis, need to click around on the site for more specifics.
Why 'N How: Martinos Center for Biomedical Imaging:
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The Why & How seminar series is designed to introduce research assistants, graduate students, and postdoctoral and clinical fellows – really, anyone who is interested – to the many tools used in medical imaging. These include software tools and most of the major imaging modalities wielded by investigators (MRI, PET, EEG, MEG, optical, TMS and others). As the name of the series suggests, the talks cover both the reasons researchers might need a particular tool and the nuts and bolts of how to apply it. You can watch videos of the overviews below.
Research Software Development in JupyterLab: A Platform for Collaboration Between Scientists and RSEs
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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
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DeepChem is an open-source library built on TensorFlow and PyTorch. It is helpful in applying machine learning algorithms to molecular data.
ACCESS HPC Workshop Series
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Monthly workshops sponsored by ACCESS on a variety of HPC topics organized by Pittsburgh Supercomputing Center (PSC). Each workshop will be telecast to multiple satellite sites and workshop materials are archived.
ACCESS KB Guide - DELTA
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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.
Running Particle-in-Cell Simulations on HPC
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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.
Jetstream2 Docs Site
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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.
Guide to building AirSim on Linux machines
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This article provides step-by-step instructions on how to build AirSim, a simulator for autonomous vehicles, on Linux. It includes both Docker and host machine setup options, along with details on building Unreal Engine, AirSim, and the Unreal environment. It also provides guidance on how to use AirSim once it is set up.
CHARMM Links to Install, Run, and Troubleshoot MD Simulations
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CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a widely distributed molecular simulation program with a broad array of applications. CHARMM has the capabilities to setup and run simulations on both biological and materials systems, contains a comprehensive set of analysis and tools, and has high performance on a variety of platforms. Here you will find links to the CHARMM website, forum, and registration/download page.
Optimizing Research Workflows - A Documentation of Snakemake
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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.
Singularity/Apptainer User Manuals
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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.
WRF in the Public Cloud
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CAC summer student employee Jeff Lantz describes his experiences in running the WRF weather forecasting application in the public cloud. He compares the major cloud providers and some container-based deployment technologies that are available on each, with a particular emphasis on Docker and Kubernetes. Since WRF is a computationally intensive numerical simulation, Jeff had to pay special attention to certain HPC characteristics of the code, such as the need to launch multiple communicating MPI processes on one or more cloud instances, and the need to set up an NFS file server to satisfy I/O requirements.
Examples of code using JSON nlohmann header only Library for C++
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This code showcases how to work with the header-only nlohmann JSON library for C++. In order to compile, change the extensions from json_test.txt to json_test.cpp and test.txt to test.json. You must also download the header files from https://github.com/nlohmann/json. Complilation instructions are at the bottom of json_test. This code is very helpful for creating config files, for example.
OnShape Documentation
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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.
AI Institutes Cyberinfrastructure Documents: SAIL Meeting
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Materials from the SAIL meeting (https://aiinstitutes.org/2023/06/21/sail-2023-summit-for-ai-leadership/). A space where AI researchers can learn about using ACCESS resources for AI applications and research.
A survey on datasets for fairness-aware machine learning
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The research paper provides an overview of various datasets that have been used to study fairness in machine learning. It discusses the characteristics of these datasets, such as their size, diversity, and the fairness-related challenges they address. The paper also examines the different domains and applications covered by these datasets.
R for Data Science
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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.
Termius - Modern ssh platform
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**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.
GIS: Projections and their distortions
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In GIS, projections are helpful to take something plotted on a globe and convert it to a flat map that we can print or show on a screen. Unfortunately it also introduces distortions to the objects and features on the map. This not only distorts the objects visually, but the results for any spatial attribute calculations will also reflect this distortion (such as distance and area ). Below is a link to a quick primer on projections, types of distortions that can occur, and suggestions on how to choose a correct projection for your work.