Test MOTD
Test MOTD for GPU22
Ascend
AlphaFold
AlphaFold is a software package that provides an implementation of the inference pipeline of AlphaFold v2.0. This is a completely new model that was entered in CASP14 and pusblished in Nature.
HOWTO: Use a Conda/Virtual Environment With Jupyter
The IPython kernel for a Conda/virtual environment must be installed on Jupyter prior to use. This tutorial will walk you though the installation and setup procedure.
OSC Classroom Support
CLASSROOM RESOURCES FOR DISTANCE LEARNING
If your class has lost or limited access to computer labs, the Ohio Supercomputer Center might be able to help by providing no-cost access to cloud computing resources. Classes and workloads of any size can gain access. OSC's web-browser interface to its substantial Linux computer systems provides novice users with virtual desktops preloaded with applications, such as MATLAB, RStudio, or Jupyter Notebook.
As an example, an OSU undergrad statistics class recently used iPads to remotely access RStudio on OSC systems.
Gaussian
Gaussian is a very popular general purpose electronic structure program. Recent versions can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.
PyTorch
PyTorch is an open source machine learning framework with GPU acceleration and deep neural networks that is based on the automatic differentiation in the Torch library of tensors.
ffmpeg
FFmpeg is a free software project, the product of which is a vast software suite of libraries and programs for handling video, audio, and other multimedia files and streams.
Availability and Restrictions
Versions
The following versions of FFmpeg are available on OSC clusters:
CMake
CMake is a family of compilation tools that can be used to build, test and package software.
Availability and Restrictions
Versions
The current versions of CMake available at OSC are:
Apptainer/Singularity
Apptainer/Singularity is a container system designed for use on High Performance Computing (HPC) systems. It allows users to run both Docker and Singularity containers.
From the Docker website: "A container image is a lightweight, stand-alone, executable package of a piece of software that includes everything needed to run it: code, runtime, system tools, system libraries, settings."
