Rosetta is a software suite that includes algorithms for computational modeling and analysis of protein structures. It has enabled notable scientific advances in computational biology, including de novo protein design, enzyme design, ligand docking, and structure prediction of biological macromolecules and macromolecular complexes.
DSI Studio 2024.June is now available on and Cardial via module load dsi-studio/2024.June.
The Cardinal cluster is now running on Red Hat Enterprise Linux (RHEL) 9, introducing several software-related changes compared to the RHEL 7 environment used on the Pitzer cluster. These updates provide access to modern tools and libraries but may also require adjustments to your workflows. Key software changes and available software are outlined in the following sections.
Overview of the High Bandwidth Memory on Cardinal's Dense compute nodes
The Cardinal cluster supports C, C++, and Fortran programming languages. The available compiler suites include Intel, oneAPI, and GCC. By default, the Intel development toolchain is loaded. The table below lists the compiler commands and recommended options for compiling serial programs. For more details and best practices, please refer to our compilation guide.
A PyTorch 2.4.0 conda environment is now available. Usage via: module load pytorch/2.4.0 See OSC PyTorch software page for more details.
Desmond 2023-4 has been installed on Cardinal and Owens. Note that the vendor has changed their version syntax from a dot to a dash, but we have kept the dot syntax for our modules. These are GPU enabled installations. Usage is via the module desmond/2023.4.
