Running Particle-in-Cell Simulations on HPC
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WarpX is an advanced particle-in-cell code used to model particle accelerators, which needs to be run on HPC. This website contains the tutorial on how to build WarpX on various HPC systems such as NERSC along with examples on how to set up post-processing/visualization tools for different physics cases.
Vulkan Support Survey across Systems
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It's not uncommon to see beautiful visualizations in HPC center galleries, but the majority of these are either rendered off the HPC or created using programs that run on OpenGL or custom rasterization techniques. To put it simply the next generation of graphics provided by OpenGL's successor Vulkan is strangely absent in the super computing world. The aim of this survey of available resources is to determine the systems that can support Vulkan workflows and programs. This will assist users in getting past some of the first hurdles in using Vulkan in HPC contexts.
ACCESS Guide (originally given at Duke OIT)
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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.
Guide to building AirSim on Linux machines
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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.
Contributing cycles to the Open Science Grid
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Intro to Statistical Computing with Stan
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The Stan language is used to specify a (Bayesian) statistical model with an imperative program calculating the log probability density function. Here are some useful links to start your exploration of this statistical programming language, and a Python interface to Stan.
Pandas - Python
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pandas is a fast, powerful, flexible and easy to use open source data analysis and manipulation tool, built on top of the Python programming language. It lets you store data in easy to manage and display data frames, with column names and datatypes.
Paraview UArizona HPC links (beginner)
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These links take you to visualization resources supported by the University of Arizona's HPC visualization consultant (rtdatavis.github.io). The following links are specific to the Paraview program and the workflows that have been used my researchers at the U of Arizona. Some of the pages linked are very beginner friendly: getting started, working with cameras and keyframes for rendering, visualizing external files (netcdf climate data), graphs and data exporting.
Many of the workflows involve using remote desktops via the Open On Demand interface, but if this isn't set up at your university you can use paraview locally on a desktop. Feel free to post on access ci https://ask.cyberinfrastructure.org/ if you need assistance getting a paraview gui open for your work on HPC.
AHPCC documentary
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This link is a documentary website to use AHPCC.
Chameleon
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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.
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.
Rockfish at Johns Hopkins University
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Resources and User Guide available at Rockfish
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.
Moving-Lid-Driven Flow Simulation by Finite Difference Method
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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.
Bioinformatics Workflow Management with Nextflow
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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.
Intro to Machine Learning on HPC
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This tutorial introduces machine learning on high performance computing (HPC) clusters. While it focuses on the HPC clusters at The University of Arizona, the content is generic enough that it can be used by students from other institutions.
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
Representation Learning in Deep Learning
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Representation learning is a fundamental concept in machine learning and artificial intelligence, particularly in the field of deep learning. At its core, representation learning involves the process of transforming raw data into a form that is more suitable for a specific task or learning objective. This transformation aims to extract meaningful and informative features or representations from the data, which can then be used for various tasks like classification, clustering, regression, and more.
Official Documentation for PyTorch and NumPy
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The official documentation for PyTorch, a machine learning tensor-based framework, and NumPy, which allows for support for ndarrays which is useful to make tensors when implementing NNs. Both libraries can be installed with pip.
EasyBuild Documentation
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EasyBuild is a software installation framework that allows administrators to easily build and install software on high-performance computing (HPC) systems. It supports a wide range of software packages, toolchains, and compilers.
Supported software are found in the EasyConfigs repository, one of several resositories in EasyBuild project.
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.
A survey on datasets for fairness-aware machine learning
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The research paper provides an overview of various datasets that have been used to study fairness in machine learning. It discusses the characteristics of these datasets, such as their size, diversity, and the fairness-related challenges they address. The paper also examines the different domains and applications covered by these datasets.
ACCESS KB Guide - Anvil
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Purdue University is the home of Anvil, a powerful supercomputer that provides advanced computing capabilities to support a wide range of computational and data-intensive research spanning from traditional high-performance computing to modern artificial intelligence applications.
Samtools Documentation
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Samtools is a suite of programs for interacting with high-throughput sequencing data, especially in the SAM/BAM format. It offers various utilities for processing, analyzing, and managing sequence data generated from next-generation sequencing (NGS) experiments. Samtools is widely used in bioinformatics and genomics research for tasks such as read alignment, variant calling, and data manipulation.
Official Documentation of VisIt
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VisIt is a prominent open-source, interactive parallel visualization and graphical analysis tool predominantly used for viewing scientific data. Its GitHub repository offers a detailed insight into the software's source code, documentation, and contribution guidelines. In particular, it offers useful examples on how it