Specialized Scientific Software

This section covers selected scientific applications documented for Pegasus and Triton. Software availability, versions, and usage can differ between the systems, so follow the system-specific instructions on each software page.

Important

The Pegasus examples in these pages were tested on Pegasus. Always confirm availability on the target system with module avail and inspect a module with module show.

The module spider command is not supported on Pegasus.

Note

Run computational workloads through LSF. Do not run production calculations on a login node merely because an executable starts there.

Molecular Science Software

Specialized Software