PETSc 3.19.3 has been installed with both gnu and intel compilers on both Owens and Pitzer. Usage is via the module petsc/3.19.3. For help loading, use the command: "module spider petsc/3.19.3". That command also emits information on usage and installation details.
Tinker 8.10.5 has been installed with intel/2021.3.0 compilers on Owens and Pitzer. Usage is via the module tinker/8.10.5. For help loading, use the command: "module spider tinker/8.10.5". That command also emits information on usage and installation details.
Mathematica is a mathematical computation program. It is capable in many areas of technical computing including but not limited to neural networks, machine learning, image processing, geometry, data science and visualizations.
Tinker is a molecular modeling package. Tinker provides a general set of tools for molecular mechanics and molecular dynamics.
Schrodinger 2023.2 available on Owens. Usage is module load schrodinger/2023.2
ls-dyna 13.1.0 now available on Owens.
For single node with single or double precision, usage via:
module load ls-dyna/971_s_13.1.0 module load ls-dyna/971_d_13.1.0
For multi-node with single or double precision, usage via:
