Amber 14 has been installed on Oakley and Glenn; usage is via the modules amber/14 on Oakley and amber14 on Glenn. For information on available executables and installation details see the software page for Amber or the output of the respective module help command, e.g.: module help amber/14
Intel compiler licenses have been updated. This should be invisible on the HPC systems. If you are a statewide user of the license, please set the
LM_LICENSE_FILE environment variable to
email@example.com before reporting issues.
- StarCCM 9.04.011r8 and 9.01.012 (special build for LG Fuel Cell Systems Inc.) has been installed on Oakley, and is available by loading the module starccm/9.04.011r812 or starccm/9.04.011r812 respectively.
On both production clusters, we have begun rejecting jobs that request the use of Lustre or $PFSDIR in order to reduce job failures caused by the triggering of a bug that crashes the filesystem. If you have a GPFS allocation, you may if appropriate want to move your data there in order to maintain productivity while the Lustre service is in a degraded state.
- HDF5-1.8.13 has been installed on Oakley, and is available by loading the module hdf5/1.8.13 or hdf-serial/1.8.13. Both gnu compiled version and intel compiled version are available.
- The software page for HDF5 is updated to reflect system changes.
- 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