Trusted CI
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The mission of Trusted CI is to lead in the development of an NSF Cybersecurity Ecosystem with the workforce, knowledge, processes, and cyberinfrastructure that enables trustworthy science and NSF’s vision of a nation that is a global leader in research and innovation.
Automated Machine Learning Book
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The authoritative book on automated machine learning, which allows practitioners without ML expertise to develop and deploy state-of-the-art machine learning approaches. Describes the background of techniques used in detail, along with tools that are available for free.
High Performance Computing (HPC) 101 - Cluster
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High Performance Computing (HPC) Cluster
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 .
ACCESS Video Learning Center
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A library of short videos about ACCESS allocations, resources and support.
Neurodesk
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Neurodesk provides a containerised data analysis environment to facilitate reproducible analysis of neuroimaging data. Analysis pipelines for neuroimaging data typically rely on specific versions of packages and software, and are dependent on their native operating system. These dependencies mean that a working analysis pipeline may fail or produce different results on a new computer, or even on the same computer after a software update. Neurodesk provides a platform in which anyone, anywhere, using any computer can reproduce your original research findings given the original data and analysis code.
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.
Numba: Compiler for Python
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Numba is a Python compiler designed for accelerating numerical and array operations, enabling users to enhance their application's performance by writing high-performance functions in Python itself. It utilizes LLVM to transform pure Python code into optimized machine code, achieving speeds comparable to languages like C, C++, and Fortran. Noteworthy features include dynamic code generation during import or runtime, support for both CPU and GPU hardware, and seamless integration with the Python scientific software ecosystem, particularly Numpy.
NERSC Training and Tutorials
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A comprehensive collection of NERSC developed training and tutorial events, offered on regular schedules. All sessions are archived, including slide decks, video recordings, and software examples as are available. Some examples of past training and tutorial topics are listed below
Deep Learning for Sciences Webinar Series
BerkeleyGW Tutorial Workshop
VASP Trainings
Timemory Software Monitoring Tutorial, April 2021
HPCToolkit to Measure and Analyzing GPU Applications Performance Tutorial
Totalview Tutorial
NVidia HPCSDK - OpenMP Target Offload Training
Parallelware Training Series
ARM Debugging and Profiling Tools Tutorial
Roofline on NVIDIA GPUs
GPUs for Science events
3-part OpenACC Training Series
9-part CUDA Training Series
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.
Globus Documentation
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Globus is a data transfer, sharing, automation, and discovery service used by hundreds of thousands of researchers to manage "big data" at universities, research labs, and national systems such as ACCESS. The Globus documentation website provides how-to guides, reference documentation, and examples for Globus's web application, command-line interface, Python software development kit (SDK), and APIs.
Machine Learning in Astrophysics
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Machine learning is becoming increasingly important in field with large data such as astrophysics. AstroML is a Python module for machine learning and data mining built on numpy, scipy, scikit-learn, matplotlib, and astropy allowing for a range of statistical and machine learning routines to analyze astronomical data in Python. In particular, it has loaders for many open astronomical datasets with examples on how to visualize such complicated and large datasets.
Introductory Tutorial to Numpy and Pandas for Data Analysis
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In this tutorial, I present an overview with many examples of the use of Numpy and Pandas for data analysis. Beginners in the field of data analysis can find It incredibly helpful, and at the same time, anyone who already has experience in data analysis and needs a refresher can find value in it. I discuss the use of Numpy for analyzing 1D and 2D multidimensional data and an introduction on using Pandas to manipulate CSV files.
AI for improved HPC research - Cursor and Termius - Powerpoint
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These slides provide an introduction on how Termius and Cursor, two new and freemium apps that use AI to perform more efficient work, can be used for faster HPC research.
Warewulf documentation
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Warewulf is an operating system provisioning platform for Linux that is designed to produce secure, scalable, turnkey cluster deployments that maintain flexibility and simplicity. It can be used to setup a stateless provisioning in HPC environment.
Developer Stories Podcast
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As developers, we get excited to think about challenging problems. When you ask us what we are working on, our eyes light up like children in a candy store. So why is it that so many of our developer and software origin stories are not told? How did we get to where we are today, and what did we learn along the way? This podcast aims to look “Behind the Scenes of Tech’s Passion Projects and People.” We want to know your developer story, what you have built, and why. We are an inclusive community - whatever kind of institution or country you hail from, if you are passionate about software and technology you are welcome!
Python Tools for Data Science
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Python has become a very popular programming language and software ecosystem for work in Data Science, integrating support for data access, data processing, modeling, machine learning, and visualization. In this webinar, we will describe some of the key Python packages that have been developed to support that work, and highlight some of their capabilities. This webinar will also serve as an introduction and overview of topics addressed in two Cornell Virtual Workshop tutorials, available at https://cvw.cac.cornell.edu/pydatasci1 and https://cvw.cac.cornell.edu/pydatasci2
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.
MPI Resources
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Workshop for beginners and intermediate students in MPI which includes helpful exercises. Open MPI documentation.
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 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.
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.
Beautiful Soup - Simple Python Web Scraping
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This package lets you easily scrape websites and extract information based on html tags and various other metadata found in the page. It can be useful for large-scale web analysis and other tasks requiring automated data gathering.
Setting up PyFR flow solver on clusters
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These instructions were executed on the FASTER and Grace cluster computing facilities at Texas A&M University. However, the process can be applied to other clusters with similar environments. For local installation, please refer to the PyFR documentation.
Please note that these instructions were valid at the time of writing. Depending on the time you're executing these, the versions of the modules may need to be updated.
1. Loading Modules
The first step involves loading pre-installed software libraries required for PyFR. Execute the following commands in your terminal to load these modules:
module load foss/2022b
module load libffi/3.4.4
module load OpenSSL/1.1.1k
module load METIS/5.1.0
module load HDF5/1.13.1
2. Python Installation from Source
Choose a location for Python 3.11.1 installation, preferably in a .local directory. Navigate to the directory containing the Python 3.11.1 source code. Then configure and install Python:
cd $INSTALL/Python-3.11.1/
./configure --prefix=$LOCAL --enable-shared --with-system-ffi --with-openssl=/sw/eb/sw/OpenSSL/1.1.1k-GCCcore-11.2.0/ PKG_CONFIG_PATH=$LOCAL/pkgconfig LDFLAGS=/usr/lib64/libffi.so.6.0.2
make clean; make -j20; make install;
3. Virtual Environment Setup
A virtual environment allows you to isolate Python packages for this project from others on your system. Create and activate a virtual environment using:
pip3.11 install virtualenv
python3.11 -m venv pyfr-venv
. pyfr-venv/bin/activate
4. Install PyFR Dependencies
Several Python packages are required for PyFR. Install these packages using the following commands:
pip3 install --upgrade pip
pip3 install --no-cache-dir wheel
pip3 install --no-cache-dir botorch pandas matplotlib pyfr
pip3 uninstall -y pyfr
5. Install PyFR from Source
Finally, navigate to the directory containing the PyFR source code, and then install PyFR:
cd /scratch/user/sambit98/github/PyFR/
python3 setup.py develop
Congratulations! You've successfully set up PyFR on the FASTER and Grace cluster computing facilities. You should now be able to use PyFR for your computational fluid dynamics simulations.
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.