Knowledge Base Resources

We teach foundational coding and data science skills to researchers worldwide.

A comprehensive list of training resources from the HPC University. HPCU is a virtual organization whose primary goal is to provide a cohesive, persistent, and sustainable on-line environment to share educational and training materials for a continuum of high performance computing environments that span desktop computing capabilities to the highest-end of computing facilities offered by HPC centers.

Open OnDemand is an easy-to-use web portal that lets students, researchers, and industry professionals use supercomputers from anywhere. It is installed on supercomputing resources at hundreds of sites. By eliminating the need for client software or command-line interface, Open OnDemand empowers users of all skill levels and significantly speeds up the time to their first computing.

This comprehensive workshop is designed to guide participants through the world of cryptography, from foundational concepts to advanced implementations. Starting with the basics of encryption, decryption, and hashing, the workshop discusses real-world applications like SSL, blockchain, and digital signatures. Interactive Python-based coding examples, such as symmetric and asymmetric encryption, will provide hands-on experience. Participants will also learn to identify cryptographic vulnerabilities and perform attacks like length extension. Finally, the workshop also explores future trends such as quantum cryptography and zero-knowledge proofs, providing participants with the knowledge to apply cryptography in securing modern digital systems. Ideal for beginners and intermediate learners alike, this workshop is a step-by-step journey into mastering cryptographic principles and practices.

This Udacity article listed the most frequently used R packages for data science and statistics. For each package, the article provided the link to its official documentation. It will be a great start point if you want to start your data science journey in R.

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.

An HPC focused Carpentry community. Trainings include: HPC fundamentals, python, chapel, LAMMPS, parallelization with python, scaling studies, etc.

The documentation provides an overview of using Pegasus, a workflow management system, on ACCESS resources for high throughput computing (HTC) workloads, covering logging in, workflow creation, resource configuration, and monitoring options.

This is the main documentation repo for the Open OnDemand Portal which enables researchers to access HPC resources from a familiar web interface.

Matplotlib is a comprehensive library for creating static, animated, and interactive visualizations in Python. It makes analyzing and presenting your data extremely easy and works with Python which many people already know.

Geocoding is the process of taking a street address and converting it into coordinates that can be plotted on a map. This conversion typically requires an API call to a remote server hosted by an organization/institution. The remote server will take the address attributes provided by you and the remote server will compare it to the data it contains and return a best estimate on the coordinates for that location. There are many geocoding services available with different world coverages, quality of result, and set different rate limits for access. For R, a package called "tidygeocoder" provides an easy way to connect to these different services. As an additional benefit, their documentation provides a good summary of geocoding services available and links to their documentation. The link to the documentation for gecoding services accessible by "tidygeocoder" is provided below. For Python, geopy package is a library that provides connection to various geocoding services. The link to the documentation for this package is also included below.

Self-paced tutorials on high-end computing topics such as parallel computing, multi-core performance, and performance tools. Other related topics include 'Cybersecurity for End Users' and 'Developing Webinar Training.' Some of the tutorials also offer digital badges. Many of these tutorials were previously offered on CI-Tutor. A list of open access training courses are provided below. Parallel Computing on High-Performance Systems Profiling Python Applications Using an HPC Cluster for Scientific Applications Debugging Serial and Parallel Codes Introduction to MPI Introduction to OpenMP Introduction to Visualization Introduction to Performance Tools Multilevel Parallel Programming Introduction to Multi-core Performance Using the Lustre File System

This workshop focuses on developing an understanding of the fundamentals of attention and the transformer architecture so that you can understand how LLMs work and use them in your own projects.

Cornell Virtual Workshop is a comprehensive training resource for high performance computing topics. The Cornell University Center for Advanced Computing (CAC) is a leader in the development and deployment of Web-based training programs. Our Cornell Virtual Workshop learning platform is designed to enhance the computational science skills of researchers, accelerate the adoption of new and emerging technologies, and broaden the participation of underrepresented groups in science and engineering. Over 350,000 unique visitors have accessed Cornell Virtual Workshop training on programming languages, parallel computing, code improvement, and data analysis. The platform supports learning communities around the world, with code examples from national systems such as Frontera, Stampede2, and Jetstream2.

DARWIN (Delaware Advanced Research Workforce and Innovation Network) is a big data and high performance computing system designed to catalyze Delaware research and education

Learn how to use Linux commands in a python script. Specifically, learn how to use the subprocess and os modules in python to run shell commands (which run Linux commands) in a python script that is run on a cluster.

This workshop series introduces the essential concepts in deep learning and walks through the common steps in a deep learning workflow from data loading and preprocessing to training and model evaluation. Throughout the sessions, students participate in writing and executing simple deep learning programs using Pytorch – a popular Python library for developing, training, and deploying deep learning models.

Feed-forward neural networks are a simple type of network that simply rely on data to be "fed-forward" through a series of layers that makes decisions on how to categorize datum. Gradient descent is a type of optimization tool that is often used to train machines. These two areas in ML are good starting points and are the easiest types of neural network/optimization to understand.

As LLMs get larger fine-tuning to the full extent can become difficult to train on consumer hardware. Storing and deploying these tuned models can also be quite expensive and difficult to store. With PEFT (parameter -efficent fine tuning), it approaches fine-tune on a smaller scale of model parameters while freezing most parameters of the pretrained LLMs. Basically it is providing full performance that which is similar if not better than full fine tuning while only having a small number of trainable parameters. This source explains that as well as going over LORA diagrams and a code walk through.

What is PyFR and how does it solve fluid flow problems? PyFR is an open-source Computational Fluid Dynamics (CFD) solver that is based on Python and employs the high-order Flux Reconstruction technique. It effectively solves fluid flow problems by utilizing streaming architectures, making it suitable for complex fluid dynamics simulations. How does PyFR achieve scalability on clusters with CPUs and GPUs? PyFR achieves scalability by leveraging distributed memory parallelism through the Message Passing Interface (MPI). It implements persistent, non-blocking MPI requests using point-to-point (P2P) communication and organizes kernel calls to enable local computations while exchanging ghost states. This design approach allows PyFR to efficiently operate on clusters with heterogeneous architectures, combining CPUs and GPUs. Why is PyFR valuable for benchmarking clusters? PyFR's exceptional performance has been recognized by its selection as a finalist in the ACM Gordon Bell Prize for High-Performance Computing. It demonstrates strong-scaling capabilities by effectively utilizing low-latency inter-GPU communication and achieving strong-scaling on unstructured grids. PyFR has been successfully benchmarked with up to 18,000 NVIDIA K20X GPUs on Titan, showcasing its efficiency in handling large-scale simulations.

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.

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

MDAnalysis is a python based library of tools for the analysis of molecular dynamics simulations. It is able to read and write many popular simulation formats including CHARMM, LAMMPS, GROMACS, and AMBER and more. This link contains the documentation pages of all MDAnalysis functions and has links to tutorials using Jupyter Notebooks.

Plots.jl is the most widely used plotting library for the Julia programming language. It's known for being especially powerful in its versatility and intuitiveness. It's limited set of dependencies and wide applicability across different graphics packages make it especially helpful in visualizing the results of your latest Julia implementation. However, there are still multiple options available for Julia programmers to visualize their datasets. The second link details a comparison against a variety of Julia packages.