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The Elliott Group

 

 

HathorThe group owns and, with the help of the departmental computer officers, maintains a small computer cluster, Hathor. Hathor consists of a head node and 10 compute nodes, and has the following specification:

  • 5 x 12-core 2.6 GHz Intel Westmere CPUs and 32 Gb of RAM.
  • 4 x 20-core 2.8 GHz Intel Ivybridge CPUs and 128 Gb of RAM.
  • QDR Infiniband interconnect.
  • 4 Tb of mirrored storage on the head node.

Hathor is well equipped for parallel work, and is used mainly for ab initio molecular dynamics simulations. The cluster runs CentOS 6.1 and has the following software centrally installed:

  • Intel Cluster Studio XE 2011 (includes Intel FORTRAN and C/C++ compilers, and the Intel Math Kernel Library (MKL)
  • OpenMPI 1.4.3 and 1.4.4
  • Torque/Maui scheduling system
  • VASP, CP2K, CASTEP and LAMMPS

If you would like to use Hathor, please contact the Chemical Physics Group computer rep. Access is granted through the departmental Active Directory system, and users are given a 80 Gb soft/100 Gb hard storage quota.