- Hyperworks 12.0 has been installed on Oakley, and is available by loading the module hyperworks/12. State-wide access is also supported for this version.
- The software page for Hyperworks is updated to reflect system changes.
Molpro is a complete system of ab initio programs for molecular electronic structure calculations. The emphasis is on highly accurate computations, with computationally efficient and extensive treatments of electron correlation. The Molpro program offers multiconfiguration SCF, multireference CI, coupled-cluster routines, local electron correlation methods, and a wide range of supporting features. Additional information can be found at the Molpro website.
- COMSOL 4.4 has been installed on Oakley, and is available by loading the module comsol/44.
- The software page for COMSOL is updated to reflect system changes.
LAMMPS 01Feb14, the latest stable version, has been installed on Oakley. Access is via the lammps/01Feb14 module. For information on available executables and installed packages see the output of the command: module help lammps/01Feb14
Molpro 2012.1.13 has been installed on Oakley and is accessible by loading a molpro module.
GAMESS 1 May 2013 (R1) has been installed on Oakley and is accessible by loading the gamess module.
- SIESTA 3.2 has been installed on Oakley, and is available by loading the siesta module for the serial package, and siesta_par module for the parallel package.
- A software page has been created that provides instructions for batch use of SIESTA on Oakley.
- Added the following versions of LS-DYNA Usermat package to Oakley:
- R7.0.0 (including single/double precision versions of the smp and mpp solvers)
- Updated the LS-DYNA Usermat software page to reflect system changes.
- A module lspp has been created for LS-PrePost 4.0 on Oakley, and the LS-PrePost software page has been updated to reflect the change.
- LS-TaSC 3.0 has been installed on Oakley, and is available by loading the lstasc module on Oakley.
- A software page had been created for LS-TaSC with more information on this package.