Software and Modules

This section is the main software guide for IDSC advanced computing systems. It covers software modules, Python, Conda/Miniforge, R, JupyterHub, MATLAB, GPU frameworks, workflow tools, specialized scientific software, and debugging or profiling tools.

Software availability can differ between Pegasus and Triton/Summit. The pages in this section include system-specific notes where needed instead of keeping separate Pegasus-only and Triton-only software sections.

Note

Use this section as the single source of truth for software workflows. System-specific details should be included inside the relevant page when a workflow depends on architecture, queue names, module versions, service URLs, GPU hardware, package availability, or licensing.

Software Availability Summary

Software / Tool	Pegasus	Triton/Summit	Details
Python	Available	Available	See Python.
Conda / Miniforge	Miniforge	Conda	See Conda and Miniforge.
PyTorch	Available	Available	See ML Frameworks.
TensorFlow	Available	Available	See ML Frameworks.
JupyterHub	Available	Available	See JupyterHub and Personal JupyterLab.
R	Available	Not Available	See R.
MATLAB	Available	Not Available	See MATLAB.
Nextflow	Available	Not Available	See Workflow Tools.
MAPSplice	Available	Not listed	See Specialized Scientific Software.
SAS	Available	Not listed	See Specialized Scientific Software.
SimVascular	Available	Not listed	See Specialized Scientific Software.
Gaussian	Available	Available	See Specialized Scientific Software.
GROMACS	Available	Available	See Specialized Scientific Software.
LAMMPS	Available	Available	See Specialized Scientific Software.
Allinea Forge	Available	Not listed	Pegasus provides allinea/7.0.6. See Debugging and Profiling Tools.
DDT	Available	Available	Included with Allinea Forge.
MAP	Available	Confirm	Included with Allinea Forge.
Performance Reports	Available	Confirm	Pegasus provides allinea/7.0.6-PR. See Debugging and Profiling Tools.

Caution

Software availability, module names, service URLs, and versions can change. Confirm availability on the target system with module avail. On systems that support it, module spider can provide additional module details.

Software and Modules

• Software Modules
  • Basic Commands
  • Find Software
  • Load Software
  • Modules in LSF Jobs
  • System Notes
  • Recommended Practice
• Python
  • Find and Load Python
  • User Package Installs
  • Virtual Environments
  • Run Python in LSF
  • Using a Virtual Environment in LSF
  • System Notes
  • Recommended Practice
• Conda and Miniforge
  • Find Conda or Miniforge
  • Create an Environment
  • Use Project or Scratch Storage
  • Use Conda in LSF
  • Export an Environment
  • Pegasus Notes
  • Triton/Summit Notes
  • Recommended Practice
• R
  • Find and Load R
  • User R Libraries
  • Run R in LSF
  • Recommended Practice
• JupyterHub
  • IDSC-Managed JupyterHub
  • Personal JupyterLab Through LSF
  • GPU JupyterLab Through LSF
  • Troubleshooting
  • When to Contact IDSC
• MATLAB
  • Find and Load MATLAB
  • Interactive MATLAB
  • Graphical MATLAB
  • Batch MATLAB Jobs
  • Running a MATLAB Function
  • Recommended Practice
• Machine Learning Frameworks
  • Availability
  • Start a GPU Session
  • Architecture Notes
  • Check PyTorch
  • Check TensorFlow
  • Pegasus Notes
  • Triton/Summit Notes
  • Recommended Practice
• Workflow Tools
  • Nextflow
  • Recommended Practice
• Debugging and Profiling Tools
  • Allinea Forge
  • DDT
  • MAP
  • Performance Reports
  • Graphical Tools
  • Recommended Practice
• Specialized Scientific Software
  • Gaussian
  • GROMACS
  • LAMMPS
  • MAPSplice
  • SAS
  • SimVascular