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.
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:
