HPC Software

The software available on the cluster includes:

Chemistry:

  • Gaussian
  • NAMD and VMD
  • Gromacs

Compilers:

  • Intel Compilers
  • GNU Compilers
  • AMD Open64 Compilers

MPI:

  • MVAPICH2
  • OpenMPI

Interpreters:

  • Python 2.6.5 and 2.7.3
  • Java: Oracle 1.7

Libraries:

  • NetCDF
  • FFTW
  • ACML
  • Intel MKL

Scientific:

  • Matlab R2011b (currently only on the head node)
  • R 2.15.1
  • OpenFoam