Gromacs 2023.2 has been installed on all the clusters. Usage is via the module gromacs/2023.2. For help loading an installation, use the command: "module spider gromacs/2023.2". That command also emits information on usage and installation details.
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.
CP2K 2022.2 has been installed with gnu/11.2.0 and openmpi/4.1.4-hpcx on Pitzer. Usage is via the module cp2k/2022.2. For help loading, use the command: "module spider cp2k/2022.2". That command also emits information on usage and installation details.
Salmon 1.10.0 is now available on Pitzer. Usage is module load salmon/1.10.0
