MATLAB bioinformatics toolbox
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Bioinformatics Toolbox provides algorithms and apps for Next Generation Sequencing (NGS), microarray analysis, mass spectrometry, and gene ontology. Using toolbox functions, you can read genomic and proteomic data from standard file formats such as SAM, FASTA, CEL, and CDF, as well as from online databases such as the NCBI Gene Expression Omnibus and GenBank.
DELTA Introductory Video
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Introductory video about DELTA. Speaker Tim Boerner, Senior Assistant Director, NCSA
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.
Spack Documentation
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Spack is a package manager for supercomputers that can help administrators install scientific software and libraries for multiple complex software stacks.
Discover Data Science
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Discover Data Science is all about making connections between prospective students and educational opportunities in an exciting new, hot, and growing field – data science.
Numpy - a Python Library
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Numpy is a python package that leverages types and compiled C code to make many math operations in Python efficient. It is especially useful for matrix manipulation and operations.
Women in HPC
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Through collaboration and networking, WHPC strives to bring together women in HPC and technical computing while encouraging women to engage in outreach activities and improve the visibility of inspirational role models.
Fundamentals of Cloud Computing
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An introduction to Cloud Computing
CUDA Toolkit Documentation
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NVIDIA CUDA Toolkit Documentation: If you are working with GPUs in HPC, the NVIDIA CUDA Toolkit is essential. You can access the CUDA Toolkit documentation, including programming guides and API references, at this provided website
Set Up VSCode for Python and Github
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VSCode is a popular IDE that runs on Windows, MacOS, and Linux. This tutorial will explain how to get set up with VSCode to code in Python. It will also provide a tutorial on how to set up Github integration within VSCode.
Thrust resources
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Thrust is a CUDA library that optimizes parallelization on the GPU for you. The Thrust tutorial is great for beginners. The documentation is helpful for anyone using Thrust.
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.
Fine-tuning LLMs with PEFT and LoRA
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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.
Raftlib: Open Source library for concurrent data processing pipelines
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Raftlib is an open-source C++ Library that provides a framework for implementing parallel and concurrent data processing pipelines. It is designed to simplify the development of high-performance data processing applications by abstracting away the complexities of parallelism, concurrency, and data flow management.
It enables stream/data-flow parallel computation by linking parallel compute kernels together using simple right shift operators, similar to C++ streams for string manipulation. RaftLib eliminates the need for explicit usage of traditional threading libraries such as pthreads, std::thread, or OpenMP, which can lead to non-deterministic behavior when misused.
Data Visualization Tools for Julia
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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.
Research Security Operations Center at IU
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The NSF-funded ResearchSOC helps make scientific computing resilient to cyberattacks and capable of supporting trustworthy, productive research through operational cybersecurity services, training, and information sharing necessary to a community as unique and variable as research and education (R&E).
ResearchSOC is a service offering from Indiana University's OmniSOC.
InsideHPC
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InsideHPC is an informational site offers videos, research papers, articles, and other resources focused on machine learning and quantum computing among other topics within high performance computing.
Benchmarking with a cross-platform open-source flow solver, PyFR
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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.
Data visualization with Matplotlib
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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.
Info about retiring of R GIS packages rgdal, rgeos, maptools in 2023
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R GIS packages "rgdal", "rgeos", and "maptools" are package set to be archived and no longer supported by end of 2023. Many other R GIS packages are build on top of these packages, including "sp" and "raster". The packages recommended as replacement for "sp" is "sf" and the replacement for "raster" is "terra". Below are links to published articles regarding this transition. Additionally, I am including links to the documentation for the new packages recommended to be used "sf" and "terra".
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.