QGIS is a user friendly Open Source Geographic Information System (GIS) licensed under the GNU General Public License. QGIS is an official project of the Open Source Geospatial Foundation (OSGeo). It runs on Linux, Unix, Mac OSX, Windows and Android and supports numerous vector, raster, and database formats and functionalities.
The following versions of QGIS are available on OSC clusters:
Gaussian is a very popular general purpose electronic structure program. Recent versions can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.
Gaussian g16c01 version has been installed on Owens.
The XDMoD tool at xdmod.osc.edu can be used to get an overview of how accurate the requested time of jobs are with the elapsed time of jobs.
One way of specifying a time request is:
#SBATCH --time=xx:xx:xx
The elapsed time is how long the job ran for before completing. This can be obtained using the sacct command.
Updated Blast database module is now avaialbe as blast-databse/2019-09
STAR-CCM 14.04.013 is available on Owens.
module load starccm/14.04.013
module load starccm/14.04.013-mixed
LAMMPS stable version 5Jun19 has been installed with MVAPICH2, OpenMPI, and IntelMPI on Owens and Pitzer. These are GPU enabled installations. Usage is via the module lammps/5Jun19. For installation details, such as, available packages and example batch scripts, use command: "module help lammps/5Jun19". For help loading an installation, use command: "module spider lammps/5Jun19".
