DAGMan for orchestrating complex workflows on HTC resources (High Throughput Computing)
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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.
Introduction to MP
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Open Multi-Processing, is an API designed to simplify the integration of parallelism in software development, particularly for applications running on multi-core processors and shared-memory systems. It is an important resource as it goes over what openMP and ways to work with it. It is especially important because it provides a straightforward way to express parallelism in code through pragma directives, making it easier to create parallel regions, parallelize loops, and define critical sections. The key benefit of OpenMP lies in its ease of use, automatic thread management, and portability across various compilers and platforms. For app development, especially in the context of mobile or desktop applications, OpenMP can enhance performance by leveraging the capabilities of modern multi-core processors. By parallelizing computationally intensive tasks, such as image processing, data analysis, or simulations, apps can run faster and more efficiently, providing a smoother user experience and taking full advantage of the available hardware resources. OpenMP's scalability allows apps to adapt to different hardware configurations, making it a valuable tool for developers aiming to optimize their software for a range of devices and platforms.
Examples of Thrust code for GPU Parallelization
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Some examples for writing Thrust code. To compile, download the CUDA compiler from NVIDIA. This code was tested with CUDA 9.2 but is likely compatible with other versions. Before compiling change extension from thrust_ex.txt to thrust_ex.cu. Any code on the device (GPU) that is run through a Thrust transform is automatically parallelized on the GPU. Host (CPU) code will not be. Thrust code can also be compiled to run on a CPU for practice.
Neurostars
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A question and answer forum for neuroscience researchers, infrastructure providers and software developers.
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.
Horovod: Distributed deep learning training framework
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Horovod is a distributed deep learning training framework. Using horovod, a single-GPU training script can be scaled to train across many GPUs in parallel. The library supports popular deep learning framework such as TensorFlow, Keras, PyTorch, and Apache MXNet.
Docker Tutorial for Beginners
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A Docker tutorial for beginners is a course that teaches the basics of Docker, a containerization platform that allows you to package your application and its dependencies into a standardized unit for development, shipment, and deployment.
Campus Research Computing Consortium (CaRCC)
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CaRCC – the Campus Research Computing Consortium – is an organization of dedicated professionals developing, advocating for, and advancing campus research computing and data and associated professions.
Vision: CaRCC advances the frontiers of research by improving the effectiveness of research computing and data (RCD) professionals, including their career development and visibility, and their ability to deliver services and resources for researchers. CaRCC connects RCD professionals and organizations around common objectives to increase knowledge sharing and enable continuous innovation in research computing and data capabilities.
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.
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.
What are LSTMs?
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This reading will explain what a long short-term memory neural network is. LSTMs are a type of neural networks that rely on both past and present data to make decisions about future data. It relies on loops back to previous data to make such decisions. This makes LSTMs very good for predicting time-dependent behavior.
Astronomy data analysis with astropy
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Astropy is a community-driven package that offers core functionalities needed for astrophysical computations and data analysis. From coordinate transformations to time and date handling, unit conversions, and cosmological calculations, Astropy ensures that astronomers can focus on their research without getting bogged down by the intricacies of programming. This guide walks you through practical usage of astropy from CCD data reduction to computing galactic orbits of stars.
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.
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
Research Software Engineering Training Materials
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An ongoing collection of RSE training material, workshops, and resources. We are compiling this list as a starting point for future activities. We are especially seeking material that goes beyond basic research computing competency (e.g. what The Carpentries does so well) and is general enough to span multiple domains. Specific tools and technologies used only in one domain, or applicable to only one subset of computing (i.e. HPC) are typically too narrowly focused. When in doubt, submit it to be included or reach out and we’d be happy to discuss.
Conda
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Conda is a popular package management system. This tutorial introduces you to Conda and walks you through managing Python, your environment, and packages.
ACCESS Support Portal
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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.
Scikit-Learn: Easy Machine Learning and Modeling
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Scikit-learn is free software machine learning library for Python. It has a variety of features you can use on data, from linear regression classifiers to xg-boost and random forests. It is very useful when you want to analyze small parts of data quickly.
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.
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.
Biopython Tutorial
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The Biopython Tutorial and Cookbook website is a dedicated online resource for users in the field of computational biology and bioinformatics. It provides a collection of tutorials and practical examples focused on using the Biopython library.
The website offers a series of tutorials that cover various aspects of Biopython, catering to users with different levels of expertise. It also includes code snippets and examples, and common solutions to common challenges in computational biology.
Neocortex Documentation
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Neocortex is a new supercomputing cluster at the Pittsburgh Supercomputing Center (PSC) that features groundbreaking AI hardware from Cerebras Systems.
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.
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".