PyTorch 2.4.0 available
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.
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.
These are the public key fingerprints for Cardinal:
cardinal: ssh_host_rsa_key.pub = 73:f2:07:6c:76:b4:68:49:86:ed:ef:a3:55:90:58:1b
cardinal: ssh_host_ed25519_key.pub = 93:76:68:f0:be:f1:4a:89:30:e2:86:27:1e:64:9c:09
cardinal: ssh_host_ecdsa_key.pub = e0:83:14:8f:d4:c3:c5:6c:c6:b6:0a:f7:df:bc:e9:2e
sbatch (instead of qsub) command to submit jobs. Refer to the Slurm migration page to understand how to use Slurm.
MVAPICH is a standard library for performing parallel processing using a distributed-memory model.
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.
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.
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