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content:marvin:programs
Programs
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.
Libraries
For users developing their own code, we also have many common libraries installed, including:
- OpenMPI
- MPICH1/2
- GotoBLAS
- ACML
- ATLAS
- FFTW2/3
- LAPACK
- ScaLAPACK
Environment Modules
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
Queuing System
The Torque/PBS queuing system is used to run jobs on the cluster. Scheduling is controlled by the Maui plugin.
content/marvin/programs.txt ยท Last modified: 2014/10/16 11:18 (external edit)
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