Software
- Overview of Installed Software
- Environment Modules
- Container Environment
- EESSI
- EasyBuild
- Bio Softwares using EESSI
- Alphafold2
- Genomic Analyses
- Ansys Fluent
- OpenFOAM
- Chem Softwares using EESSI
- AMBER
- GROMACS
- ORCA
- TeraChem
- MRCC
- Q-Chem & BrianQC
- NAMD
- Geosciences using EESSI
- Mathematics / Numerical Methods / Optimization using EESSI
- MATLAB
- Getting Started with Parallel Computing using MATLAB on the Komondor HPC Cluster
- CONFIGURATION – MATLAB client on the cluster
- INSTALLATION and CONFIGURATION – MATLAB client on the desktop
- CONFIGURING JOBS
- INTERACTIVE JOBS - MATLAB client on the cluster
- INDEPENDENT BATCH JOB
- PARALLEL BATCH JOB
- HELPER FUNCTIONS
- DEBUGGING
- TO LEARN MORE
- Wolfram Mathematica
- Pytorch
- Jupyter Environment
- Cray Programming Environment