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Cardinal
AutoDock is a a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock has applications in X-ray crystallography, structure-based drug design, lead optimization, etc.
Ascend, Gateway
rclone is a tool that can be used to upload and download files to a cloud storage (like Microsoft OneDrive) from the command line. It's shipped as a standalone binary, but requires some user configuration before using. In this page, we will provide instructions on how to use rclone to upload data from Google Drive. For instructions with other cloud storage, check rclone Online documentation.
Some projects may wish to have a common account to allow for different privileges than their regular user accounts. These are called community accounts, in that they are shared among multiple users, belong to a project, and may be able to submit jobs. Community accounts are accessed using the sudo command.
A community sudo account has the following characteristics:
The following are technical specifications for Cardinal.
- Number of Nodes
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378 nodes
- Number of CPU Sockets
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756 (2 sockets/node for all nodes)
- Number of CPU Cores
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39,312
- Cores Per Node
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104 cores/node for all nodes (96 usable)
Accessing User OneDrive in Globus
Globus is a cloud-based service designed to let users move, share, and discover research data via a single interface, regardless of its location or number of files or size.
Ascend, Cardinal, Pitzer
Nextflow is a workflow system for creating scalable, portable, and reproducible workflows. Nextflow is based on the dataflow programming model which simplifies complex distributed pipelines.
Ascend, Cardinal, Pitzer
Nodejs is used to create server-side web applications, and it is perfect for data-intensive applications since it uses an asynchronous, event-driven model
SUG Mini Meeting - Oct. 17, 2023
OSC Updates
Pitzer
