Knowledge Base Resources

A library of short videos about ACCESS allocations, resources and support.

The daily news clearly shows the increasing threat to safety and privacy of data, personal as well as intellectual property. While the requirements such as DFARS 7012, HIPAA, and Cybersecurity Maturity Model Certification (CMMC) improve the consistency of data handling between agencies and contractors and grantees, it leaves academic institutions to figure out how to meet such requirements in a cost-effective way that fits the research and education mission of the institution. Most institutions, agencies, and companies act in isolation with one-off contract language to address data security and safeguarding concerns. Even though cybersecurity has a clear and uniform goal of protecting data, a onesize solution does not fit all academic institutions. By supporting this community with development of a community strategic roadmap, regular discussions and workshops, and a repository of generalized and specific resources for handling regulated research programs RRCoP lowers the barrier to entry for institutions handling new regulations.

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.

A walkthrough (with a Google Colab link) on how to implement your own LSTM to observe time-dependent behavior.

This tutorial explains how to create an Anaconda Navigator Application (app) for JupyterLab. It is intended for users of Windows, macOS, and Linux who want to generate an Anaconda Navigator app conda package from a given recipe. Prior knowledge of conda-build or conda recipes is recommended.

A degree in business analytics looks different in today’s world than it did a decade ago. In its most current application, business analytics uses modern data science and capabilities in machine learning (ML). The magic comes into play when these are leveraged for strategic planning.

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.

Weka is a collection of machine learning algorithms for data mining tasks. It contains tools for data preparation, classification, regression, clustering, association rules mining, and visualization.

MOPAC (Molecular Orbital PACkage) is a semi-empirical quantum chemistry package used to compute molecular properties and structures by using approximations of the Schrödinger equation. This tutorial explains the process of using MOPAC for different forms of calculations.

Describes effective mentorship (both ways).

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.

The listed repository contains code written in C++ to model the flow inside a cavity with a lid moving above from left to right by discretizing incompressible N-S equations with finite difference method. For the governing equations, artificial viscosity has been considered to increase the stability. In terms of solving the resulted algebraic equation system, both the Point Jacobi Method and Symmetric Gauss Seidel methods have been used for the iteration process.

Differential equations, the backbone of countless physical phenomena, have traditionally been solved using numerical methods or analytical techniques. However, the advent of deep learning introduces an intriguing alternative: Physics-Informed Neural Networks (PINNs). By leveraging the representational power of neural networks and integrating physical laws (like differential equations), PINNs offer a novel approach to solving complex problems. This guide walks through an implementation of a PINN to solve DEs such as the logistic equation.

The Why & How seminar series is designed to introduce research assistants, graduate students, and postdoctoral and clinical fellows – really, anyone who is interested – to the many tools used in medical imaging. These include software tools and most of the major imaging modalities wielded by investigators (MRI, PET, EEG, MEG, optical, TMS and others). As the name of the series suggests, the talks cover both the reasons researchers might need a particular tool and the nuts and bolts of how to apply it. You can watch videos of the overviews below.

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!

The MOOSE Navier-Stokes Cahn-Hilliard (NSCH) application is a library for implementing simulation tools that solve the Navier-Stokes Cahn-Hilliard equations with non-matching densities using Galerkin finite element methods with a residual-based stabilization scheme.

This article provides step-by-step instructions on how to build AirSim, a simulator for autonomous vehicles, on Linux. It includes both Docker and host machine setup options, along with details on building Unreal Engine, AirSim, and the Unreal environment. It also provides guidance on how to use AirSim once it is set up.

Nextflow is an open-source, domain-specific language and workflow manager designed for the execution and coordination of scientific and data-intensive computational workflows. It was specifically created to address the challenges faced by researchers and scientists when dealing with complex and scalable computational pipelines, particularly in fields such as bioinformatics, genomics, and data analysis. Here provided some links to start with.

A guide for Duke OIT on how to advise users on using ACCESS and allocation credits to jetstream 2 for Duke University members. This can be used for non Duke members. Assumes the reader has basic knowledge of ACCESS.

Spatial Data Science is a growing field across a wide range of industries and disciplines. The open-source programming language Python has many libraries that support spatial analysis, but what do you do when your computer is unable to tackle the massive file sizes of high-resolution data and the computing power required in your analysis? There materials have been prepared to teach you spatial data science and how to execute your analysis using a high-performance computer (HPC).

The Better Scientific Software (BSSw) project provides a community to collaborate and learn about best practices in scientific software development. Software—the foundation of discovery in computational science & engineering—faces increasing complexity in computational models and computer architectures. BSSw provides a central hub for the community to address pressing challenges in software productivity, quality, and sustainability.

Chameleon is an NSF-funded testbed system for Computer Science experimentation. It is designed to be deeply reconfigurable, with a wide variety of capabilities for researching systems, networking, distributed and cluster computing and security.

OnShape FeatureScripts allow users to create their own features via OnShape's programming language. The user can make these as simple or complex as they need, and they can save tons of time for heavy OnShape users or complex projects!

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.

This code showcases how to work with the header-only nlohmann JSON library for C++. In order to compile, change the extensions from json_test.txt to json_test.cpp and test.txt to test.json. You must also download the header files from https://github.com/nlohmann/json. Complilation instructions are at the bottom of json_test. This code is very helpful for creating config files, for example.