Computational Resources

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• Dalton - Cluster (440 procesors)

• • Hardware Specifications

  • • Login-/Fileserver: octo-core Intel® Xeon® CPU E3-1230 V2 @ 3.30GHz with RAID0 with two 3 TB hard drives
    • 35 x Nodes: Intel® Core™ i7-2600 CPU @ 3.40GHz, 16 GB RAM and 1 TB hard drive
    • 07 x Nodes: Intel® Core™ i7-2600 CPU @ 3.40GHz, 8 GB RAM and 1 TB hard drive
    • 01 x Node: 4 x Intel® Xeon® CPU E7450 hexa-core @ 2.40GHz, 64 GB RAM and 1.5 TB SAS hard drive
    • 01 x Node: 4 x Intel® Xeon® CPU X7350 quad-core @ 2.93GHz, 128 GB RAM and 1 TB SAS hard drive
    • 01 x Node: 4 x Intel® Xeon® CPU X7350 octa-core @ 2.93GHz, 256 GB RAM and 1.5 TB SAS hard drive

  • Queueing System

  • • Queueing System: Son of GridEngine (SGE) 6.2u5

• Electronic Structure Programs

• • ADF
  • GAMESS
  • Gaussian
  • Orca

• Math Librearies

• • ATLAS
  • BLAS
  • BLACS
  • LAPACK
  • ScaLAPACK

• Parallelization Libraries

• • LAM-MPI
  • LINDA
  • Open MPI
  • Open MP