Computational facilities

Cluster Intranet: https://cluster-cti.ensc-rennes.fr/index.php

Dell cluster (3200 CPUS, 21To of RAM)

• 4 poweredge C6320 2-CPUS blade(Intel Xeon E5-2699 v3) with 18 cores at 2.3 GHz and 256 Go of DDR4/2133 MHz RAM.
• 8 poweredge C6320 2-CPUS blade(Intel Xeon E5-2697 v4) with 18 cores/CPU at 2.3 GHz and 64 Go of DDR4/2400 MHz RAM.
• 8 poweredge C6320 2-CPUS blade(Intel Xeon E5-2697 v4) with 18 cores/CPU at 2.3 GHz and 256 Go of DDR4/2400 MHz RAM.
• 1 poweredge R430 2-CPUS blade (Intel Xeon E5-2620 v4) with 8 cores/CPU at 2.3 GHz and 32 Go of DDR4/2400 MHz RAM.
• 8 poweredge C6420 2-CPUS blade (Intel Xeon Gold 6140) with 18 cores/CPU at 2.3 GHz and 96 Go of DDR4/2666 MHz RAM.
• 4 poweredge C6420 2-CPUS blade (Intel Xeon Gold 6140) with 18 cores/CPU at 2.3 GHz and 192 Go of DDR4/2666 MHz RAM.
• 8 poweredge C6420 2-CPUS blade (Intel Xeon Gold 6238) with 22 cores/CPU at 2.1 GHz and 192 Go of DDR4/2933 MHz RAM.
• 4 poweredge C6420 2-CPUS blade (Intel Xeon Gold 5215) with 10 cores/CPU at 2.5 GHz and 192 Go of DDR4/2933 MHz RAM.
• 4 poweredge C6420 2-CPUS blade (Intel Xeon Gold 6226R) with 16 cores/CPU at 2.9 GHz and 192 Go of DDR4/2933 MHz RAM.
• 4 poweredge C6420 2-CPUS blade (Intel Xeon Gold 6230R) with 26 cores/CPU at 2.1 GHz and 384 Go of DDR4/2933 MHz RAM.
• 4 poweredge C6425 2-CPUS blade (AMD EPYC 7352) with 24 cores/CPU at 2.3 GHz and 512 Go of DDR4/3200 MHz RAM.
• 24 HPE Proliant XL225n 2-CPUS blade (AMD EPYC 7502) with 32/CPU each at 2.5GHz and 512 Go of DDR4/3200 MHz RAM.
• 4 HPE Proliant XL225n 2-CPUS blade (AMD EPYC 7502) with 32/CPU each at 2.5GHz and 1024 Go of DDR4/3200 MHz RAM.
• 1 poweredge R740XD with 32 To of Hard disk (HOME).
• 1 poweredge R740XD with 24 To of Hard disk (ARCHIVES).

Mac 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.

Softwares

• Molecular

  • ADF
  • Dalton
  • DFTB+
  • dgrid
  • Dirac
  • Elk
  • Gaussian
  • NWChem
  • Molcas
  • OpenMolcas
  • Orca

• Solid State

  • Abinit
  • BoltzTrap
  • CASTEP
  • CP2K
  • CRYSTAL
  • Quantum Espresso
  • Siesta
  • USPEX
  • VASP
  • Wien2k
  • Yambo