Installing Rocky Linux Operating System
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Rocky Linux is an open-source enterprise operating system. It is compatible with Red Hat Enterprise Linux (RHEL). It is a community-driven project that provides a stable and reliable platform for production workloads. It is one of the best alternatives to Opensource CentOS, since Centos will be on end of life (EoL) soon in 2024 by shifting to CentOS Stream.
ACES: Charliecloud Containers for Scientific Workflows (Tutorial)
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This tutorial introduces the use of Containers using the Charliecloud software suite. This tutorial will provide participants with background and hands-on experience to use basic Charliecloud containers for HPC applications. We discuss what containers are, why they matter for HPC, and how they work. We'll give an overview of Charliecloud, the unprivileged container solution from Los Alamos National Laboratory's HPC Division. Students will learn how to build toy containers and containerize real HPC applications, and then run them on a cluster. Exercises are demonstrated using the ACES cluster, a composable accelerator testbed at Texas A&M University. Students with an allocation on the ACES cluster can follow along with the ACES-specific exercises.
Introduction to Parallel Computing Tutorial
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The tutorial is intended to provide a brief overview of the extensive and broad topic of Parallel Computing. It covers the basics of parallel computing, and is intended for someone who is just becoming acquainted with the subject .
Git Branching Workflow and Maneuvers
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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")
Bash shell tutorial
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Training materials for using the bash (and zsh) shell.
Linux Tutorial from Ryan's Tutorials
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The following pages are intended to give you a solid foundation in how to use the terminal, to get the computer to do useful work for you. You won't be a Unix guru at the end but you will be well on your way and armed with the right knowledge and skills to get you there if that's what you want (which you should because that will make you even more awesome). Here you will learn the Linux command line (Bash) with our 13 part beginners tutorial. It contains clear descriptions, command outlines, examples, shortcuts and best practice. At first, the Linux command line may seem daunting, complex and scary. It is actually quite simple and intuitive (once you understand what is going on that is), and once you work through the following sections you will understand what is going on. Unix likes to take the approach of giving you a set of building blocks and then letting you put them together. This allows us to build things to suit our needs. With a bit of creativity and logical thinking, mixed in with an appreciation of how the blocks work, we can assemble tools to do virtually anything we want. The aim is to be lazy. Why should we do anything we can get the computer to do for us? The only reason I can think of is that you don't know how (but after working through these pages you will know how, so then there won't be a good reason). A question that may have crossed your mind is "Why should I bother learning the command line? The Graphical User Interface is much easier and I can already do most of what I need there." To a certain extent you would be right, and by no means am I suggesting you should ditch the GUI. Some tasks are best suited to a GUI, word processing and video editing are great examples. At the same time, some tasks are more suited to the command line, data manipulation (reporting) and file management are some good examples. Some tasks will be just as easy in either environment. Think of the command line as another tool you can add to your belt. As always, pick the best tool for the job.
R for Research Scientists
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A book for researchers who contribute code to R projects: This booklet is the result of my work with the Social Cognition for Social Justice lab. It was developed in response to questions I was getting from students; both grad students that were making software design decisions, and undergraduates who were using things like version control for the first time. Although many tutorials and resources exist for these topics, there was not a single source that I thought covered just enough material to build up to the workflow used by the lab without extraneous detail.
Active inference textbook
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This textbook is the first comprehensive treatment of active inference, an integrative perspective on brain, cognition, and behavior used across multiple disciplines including computational neurosciences, machine learning, artificial intelligence, and robotics. It was published in 2022 and it's open access at this time. The contents in this textbook should be educational to those who want to understand how the free energy principle is applied to the normative behavior of living organisms and who want to widen their knowledge of sequential decision making under uncertainty.
Python
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Python course offered by Texas A&M HPRC
Machine Learning with sci-kit learn
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In the realm of Python-based machine learning, Scikit-Learn stands out as one of the most powerful and versatile tools available. This introductory post serves as a gateway to understanding Scikit-Learn through explanations of introductory ML concepts along with implementations examples in Python.
CMake Tutorials
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CMake is an open-source tool used to manage the build process in operating systems. This tutorial takes you through how to use CMake from the very basics with example projects.
GDAL Multi-threading
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Multi-threading guidance when using GDAL.
Introduction to Probabilistic Graphical Models
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This website summarizes the notes of Stanford's introductory course on probabilistic graphical models.
It starts from the very basics and concludes by explaining from first principles the variational auto-encoder, an important probabilistic model that is also one of the most influential recent results in deep learning.
Oakridge Leadership Computing Facility (OLCF) Training Events and Archive
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Upcoming training events and archives of training materials detailing general HPC best practices as well as how to use OLCF resources and services.
Header-only C++ JSON library
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JSON is a lightweight format for storing and transporting data, for example in a config file. This library is header-only, and has easy-to-read documentation. It is a C++ library.
Advanced Mathematical Optimization Techniques
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Mathematical optimization deals with the problem of finding numerically minimums or maximums of a functions. This tutorial provides the Python solutions for the optimization problems with examples.
GIS: What is a Geodetic Datums?
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Often when working with GIS, or spatial data, one encounters the word "datum" and it may require that you choose a "datum" when doing GIS computation tasks. Below is a short video on what are datums from NOAA and UCAR.
Fundamentals of R Programming
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This course is an introduction to the R programming language and covers the fundamental concepts needed to operate in the R environment. This course was taught for the ACCESS community on September 26, 2023, but the materials for the course are still available on the ACES cluster and can be completed independently. All materials are presented as learnR notebooks and cover several topics, including data types, variables, built-in functions, data structures, and plotting.
Metadata Systems
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Metadata is a vital topic in libraries and librarianship, encompassing structured information used for accessing digital resources. The definition of metadata varies but is essentially data about data. It has evolved beyond simply describing metadata schemas and now focuses on topics like interoperability, non-descriptive metadata (administrative and preservation metadata), and the effective application of metadata schemas for user discovery. Interoperability, the ability to seamlessly exchange metadata between systems, is a major concern. Different levels of interoperability are examined, including schema-level, record-level, and repository-level. Challenges to interoperability include variations in standards, collaboration barriers, and costs.Metadata management is discussed in terms of the holistic management of metadata across an entire library. Steps include analyzing metadata requirements, adopting schema, creating metadata content, delivery/access, evaluation, and maintenance. Administrative metadata, which encompasses ownership and production information, is becoming more critical, particularly for electronic resource licensing. Preservation metadata is also gaining importance in ensuring the long-term viability of digital objects.
File management of Visual Studio Code on clusters
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Visual Studio Code, commonly known as VSCode, is a popular tool used by programmers worldwide. It serves as a text editor and an Integrated Development Environment (IDE) that supports a wide variety of programming languages. One of its key features is its extensive library of extensions. These extensions add on to the basic functionalities of VSCode, making coding more efficient and convenient.
However, there's a catch. When these extensions are installed and used frequently, they generate a multitude of files. These files are typically stored in a folder named .vscode-extension within your home directory. On a cluster computing facility such as the FASTER and Grace clusters at Texas A&M University, there's a limitation on how many files you can have in your home directory. For instance, the file number limit could be 10000, while the .vscode-extension directory can hold around 4000 temporary files even with just a few extensions. Thus, if the number of files in your home directory surpasses this limit due to VSCode extensions, you might face some issues. This restriction can discourage users from taking full advantage of the extensive features and extensions offered by the VSCode editor.
To overcome this, we can shift the .vscode-extension directory to the scratch space. The scratch space is another area in the cluster where you can store files and it usually has a much higher limit on the number of files compared to the home directory. We can perform this shift smoothly using a feature called symbolic links (or symlinks for short). Think of a symlink as a shortcut or a reference that points to another file or directory located somewhere else.
Here's a step-by-step guide on how to move the .vscode-extension directory to the scratch space and create a symbolic link to it in your home directory:
1. Copy the .vscode-extension directory to the scratch space: Using the cp command, you can copy the .vscode-extension directory (along with all its contents) to the scratch space. Here's how:
cp -r ~/.vscode-extension /scratch/user
Don't forget to replace /scratch/user with the actual path to your scratch directory.
2. Remove the original .vscode-extension directory: Once you've confirmed that the directory has been copied successfully to the scratch space, you can remove the original directory from your home space. You can do this using the rm command:
rm -r ~/.vscode-extension
It's important to make sure that the directory has been copied to the scratch space successfully before deleting the original.
3. Create a symbolic link in the home directory: Lastly, you'll create a symbolic link in your home directory that points to the .vscode-extension directory in the scratch space. You can do this as follows:
ln -s /scratch/user/.vscode-extension ~/.vscode-extension
By following this process, all the files generated by VSCode extensions will be stored in the scratch space. This prevents your home directory from exceeding its file limit. Now, when you access ~/.vscode-extension, the system will automatically redirect you to the directory in the scratch space, thanks to the symlink. This method ensures that you can use VSCode and its various extensions without worrying about hitting the file limit in your home directory.
NCSA HPC-Moodle
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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.
UNIX/command line basics tutorial
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Introductory training materials for working on the UNIX command line.
Introduction to Vizualization on HPC Using Python
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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
Awesome Jupyter Widgets (for building interactive scientific workflows or science gateway tools)
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A curated list of awesome Jupyter widget packages and projects for building interactive visualizations for Python code
Using Dask on HPC Systems
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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