THEORETICAL & PHYSICAL CHEMISTRY INSTITUTE

 

Computational Chemistry and Physics Lab, comprising a cluster of 19 SUN X4100 and X4600 rack mounted computers. The total number of AMD Opteron cpu cores is 156, all running SuSe linux operating system.
With several tens of GB RAM and some TB of disk space, a variety of Computational Chemistry and Physics program packages are run in parallel on the compute nodes, the load being distributed by the Sun Grid Engine software.

The Cluster comprises

  • 15 Sun X4100 each with two dual core Opteron 2.2 GHz cpus and 4 GB memory
  • 2 Sun X4600 each with eight dual core Opteron 2.8 GHz cpus and 32 GB memory
  • 2 Sun X4600 each with eight quad core Opteron 2.7 GHz cpus and 128 GB memory


SuSe Linux Enterprise Server operating system and Sun Grid Engine queuing system.

Computational Chemistry packages: Gaussian 03, Molpro, Turbomole







 
 

National Hellenic Research Foundation (NHRF), 48 Vassileos Constantinou Ave., 11635 Athens, Greece, Tel. +302107273700, Fax. +302107246618