Chimie Théorique Inorganique

Supervisory authorities

CNRS CNRS CNRS

Search





Home > Computational facilities

Computational facilities

Ressources

Our cluster
Our cluster


Apple 12-core machines (24 threads)

  • 8 ‘old generation’ machines with 2 CPUs (intel X5675) with 6 cores at 3.06 GHz.
  • 10 ‘new generation’ machines with 1 CPU (intel Xeon E5-2697) with 12 cores at 2.76 GHz.
  • The memory available on each machine varies from 64 Go to 128 Go.


Apple 8-core machines (16 threads)

  • 22 2-CPU machines (intel E5520) with 4 cores at 2.26 GHz and 24 Go RAM.
  • 6 2-CPU machines (intel E5620) with 4 cores at 2.40 GHz and 64 Go RAM.


Apple 8-core machines (8 threads)

  • 7 2-CPU machines (intel E5462) with 4 cores at 2.8 GHz and 32 Go RAM.


Dell cluster

  • 4 poweredge C6320 2-CPUS blade( intelXeon E5-2699 v3) with 18 cores at 2.3 GHz and 128 Go of DDR4/2133 MHz RAM.

Available softwares


Molecular calculations





ADF


Gaussian


Molcas




NWChem


ORCA


Solid-state calculations





Castep


CP2K


CPMD


LMTO




LMTO


QuantumEspresso


SIESTA




VASP


Wien2k

Wiki

More about our cluster.

Intranet