Container Service Request– Name * E-mail * User ID * Classification * - Select -FacultyStaffPostdoctoral AssociateOther Affiliation * - Select - College of Arts & Sciences School of Data Science School of Engineering and Applied Sciences School of Medicine Darden School of Business UVA Health System Other Project Summary Please describe your project and the container images you want to run. Tier of Service * 6 - 15 containers ($10/month total) 15 containers ($48/month total) Billing Tiers are selected and paid for by the PI.
Computing Environments at UVARivanna The primary vehicle for high-performance computing since 2014 has been the Rivanna cluster. Rivanna is a heterogenous system with a total of 595 nodes and 22598 cpu cores. It consists of approximately 230 x 20-core nodes with 128GB of RAM each, 39 x 28-core nodes with 256GB of RAM, and 300 x 40-core nodes with 384GB-768GB of RAM each. Five “big memory” nodes offer from 1-3TB of RAM with 16 cores each. A number of nodes offer GPU accelerators: 64 NVIDIA K80 GPGPUs, 16 NVIDIA V100 GPUs, 52 P100 GPGPUs, 20 NVIDIA RTX2080TI gpus, 20 RTX3090 gpus and two Nvidia DGX-A100 servers with 16 40G A100 GPUs.
Computing SystemsUVA Research Computing can help you find the right system for your computational workloads. From supercomputers to HIPAA secure systems to cloud-based deployments with advanced infrastructure, various systems are available to researchers. Are you submitting a grant proposal and need standard information about UVA research computing environments? Get it here. High Performance Computing - Rivanna A traditional high performance cluster with a resource manager, a large file system, modules, and MPI processing. Get Started on Rivanna Secure Computing for Highly Sensitive Data - Ivy A multi-platform, HIPAA-compliant system for secure data that includes dedicated virtual machines (Linux and Windows), JupyterLab Notebooks, and Apache Spark.
MicroservicesMicroservice architecture is an approach to designing and running applications. Such applications are typically run within containers, made popular in the last few years by Docker. Containers are portable, efficient, and disposable, and contain code and any dependencies in a single package. Containerized microservices typically run a single process, rather than an entire stack within the same computing environment. This allows portions of your application to be easily replaced or scaled as needed. Microservices at UVA Research Computing runs microservices in a clustered orchestration environment that automates the deployment and management of many containers easy and scalable. This cluster has >1000 cores and ~1TB of memory allocated to running containerized services.
Cloud Solutions// Run your Cloud computing is ideal for running flexible, scalable applications on demand, in periodic bursts, or for fixed periods of time. UVA Research Computing works alongside researchers to design and run research applications and datasets into Amazon Web Services, the leader among public cloud vendors. This means that server, storage, and database needs do not have to be estimated or purchased beforehand – they can be scaled larger and smaller with your needs, or programmed to scale dynamically with your application. Service Oriented Architecture A key advantage of the cloud is that for many services you do not need to build or maintain the servers that support the service – you simply use it.
Rivanna HPC SoftwareOverview Research Computing at UVA offers a variety of standard software packages for all Rivanna users. We also install requested software based on the needs of the high-performance computing (HPC) community as a whole. Software used by a single group should be installed by that group’s members, ideally on leased storage controlled by the group. Departments with a set of widely-used software packages may install them to the lsp_apps space. The Research Computing group also provides limited assistance for individual installations. For help installing research software on your PC, please contact Research Software Support at firstname.lastname@example.org. Software Modules and Containers Software on Rivanna is accessed via environment modules or containers.
Software ContainersOverview Containers bundle an application, the libraries and other executables it may need, and even the data used with the application into portable, self-contained files called images. Containers simplify installation and management of software with complex dependencies and can also be used to package workflows. Singularity is a container application targeted to multi-user, high-performance computing systems. It interoperates well with SLURM and with the Lmod modules system. Singularity can be used to create and run its own containers, or it can import Docker containers. Creating Singularity Containers To create your own image from scratch, you must have root privileges on some computer running Linux (any version).
Docker - The Basics
What Is Docker? “Docker is a set of platform-as-a-service (PaaS) products that use OS-level virtualization to deliver software in packages called containers. Containers are isolated from one another and bundle their own software, libraries and configuration files; they can communicate with each other through well-defined channels. All containers are run by a single operating-system kernel and are thus more lightweight than virtual machines. The service has both free and premium tiers. The software that hosts…” Continue reading on Wikipedia Click to watch on YouTube:
Install Docker Docker is available for Windows, Mac, and Linux. Download the appropriate Docker Edition for your platform directly from Docker.
LOLAwebLOLAweb The past few years have seen an explosion of interest in understanding the role of regulatory DNA. This interest has driven large-scale production of functional genomics data resources and analytical methods. One popular analysis is to test for enrichment of overlaps between a query set of genomic regions and a database of region sets. In this way, annotations from external data sources can be easily connected to new genomic data. SOM Research Computing is working with faculty in the UVA Center for Public Health Genomics to implement LOLAweb, an online tool for performing genomic locus overlap annotations and analyses. This project, written in the statistical programming language R, allows users to specify region set data in BED format for automated enrichment analysis.
Refgenie: A Reference Genome Resource ManagerReference genome assemblies are essential for high-throughput sequencing analysis projects. Typically, genome assemblies are stored on disk alongside related resources; e.g., many sequence aligners require the assembly to be indexed. The resulting indexes are broadly applicable for downstream analysis, so it makes sense to share them. However, there is no simple tool to do this. Refgenie is a reference genome assembly asset manager. Refgenie makes it easier to organize, retrieve, and share genome analysis resources. In addition to genome indexes, refgenie can manage any files related to reference genomes, including sequences and annotation files. Refgenie includes a command line interface and a server application that provides a RESTful API, so it is useful for both tool development and analysis.
Docker Images on RivannaDocker requires sudo privilege and therefore it is not supported on Rivanna. To use a Docker image you will need to convert it into Singularity. Convert a Docker image There are several ways to convert a Docker image: Download a remote image from Docker Hub Build from a local image cached in Docker daemon Build from a definition file (advanced) Instructions are provided in each of the following sections. Docker Hub Docker images hosted on Docker Hub can be downloaded and converted in one step via the singularity pull command: module load singularity singularity pull docker://account/image Use the exact same command as you would for docker pull.
How to add packages to a container?Strictly speaking, you cannot add packages to an existing container since it is not editable. However, you can try to install missing packages locally. Using python-pip as an example: singularity exec <container.sif> python -m pip install –user <package> Replace <container.sif> with the actual filename of the container and <package> with the package name. The Python package will be installed in your home directory under .local/lib/pythonX.Y where X.Y is the Python version in the container. If the installation results in a binary, it will often be placed in .local/bin. Remember to add this to your PATH: export PATH=~/.local/bin:$PATH You should be able to use the new package/binary in the container, as your entire home directory is mounted at runtime.
Keras on RivannaDescription Keras is a high-level neural networks application programming interface (API), written in Python and capable of running on top of TensorFlow, CNTK, or Theano. On Rivanna, we provide TensorFlow containers that include the Keras API. Since version 1.12.0, TensorFlow contains its own Keras API implementation as described on the TensorFlow website. Using Keras with TensorFlow containers Like TensorFlow itself, Python code that utlizes the Keras package can be run interactively as Jupyter Notebooks, in interactive shell jobs, or non-interctively as SLURM batch jobs. Rivanna provides several nodes with graphics processing units (GPUs) that should be used when running Keras code.
Rivanna HPC SoftwareOverview Research Computing at UVA offers a variety of standard software packages for all Rivanna users. We also install requested software based on the needs of the HPC community as a whole. Software used by a single group should be installed by that group’s members, ideally on leased storage controlled by the group. Departments with a set of widely-used software packages may install them to the lsp_apps space. The Research Computing group also provides limited assistance for individual installations. For help installing research software on your PC, please contact Research Software Support at email@example.com. Software Modules and Containers Software on Rivanna is provided via environment modules or as containers.
BART WebBART (Binding Analysis for Regulation of Transcription) Web Working with researchers in the Zang Lab in the Center for Public Health Genomics (CPHG), RC helped launch BARTweb, an interactive web-based tool for users to analyze their Genelist or ChIP-seq datasets. BARTweb is a containerized Flask front-end (written in Python) that ingests files and submits them to a more robust Python-based genomics pipeline running on Rivanna, UVA’s high performance computing cluster (HPC). This architecture – of a public web application that uses a supercomputer to process data – is a new model for UVA, and one that eases the learning curve for researchers who may not have access to an HPC system or the expertise to run a BART pipeline in the command-line.