Marvin

NZIAS High Performance Computing Cluster

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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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