Start here!
We encourage you to setup your own computational environment on Torch and to assist you in doing so, we allow you to run Apptainer (formerly known as Singularity) containers, we manage licensed software suites and offer extensive documentation, training and support.
tip
We strongly advise that you setup your own computational enviromments via Apptainer containers and overlay files. Detailed documentation is available in the containers section.
Package Management for R, Python, & Julia, and Conda in general
Examples of software usage on Greene
Examples can be found under /scratch/work/public/examples/ and include the following
| alphafold | knitro | Singularity |
| amd GPUs | lammps | slurm |
| comsol | matlab | spark |
| c-sharp | mathematica | stata |
| crystal17 | namd | squashfs |
| fluent | orca | trinity |
| gaussian | quantum-espresso | vnc |
| hadoop-streaming | R | vscode |
| julia | sas | xvfb |
| jupyter notebooks | schrodinger |