The following programs are currently installed:

• NWChem
• Gaussian
• Dirac
• VASP
• Molpro
• Crystal/Cryscor
• Turbomole
• R
• Octave
• Gromos

Basic examples of how to run them through the queuing system can be found at /data/programs/Example_Jobs.

For users developing their own code, we also have many common libraries installed, including:

• OpenMPI
• MPICH1/2
• GotoBLAS
• ACML
• ATLAS
• FFTW2/3
• LAPACK
• ScaLAPACK

You should use the environment modules package to set-up your environment for running a program. To see what programs are available run:

module load ctcp
module avail

To set up your environment for running a program run:

module load PROGRAM_NAME

The Torque/PBS queuing system is used to run jobs on the cluster. Scheduling is controlled by the Maui plugin.