technicalspecifications

Master Node

  • 2 Intel Xeon E5-2640v4 (2.4GHz 10core)
  • 64GB RAM
  • 2 2TB 7200RPM, RAID1
  • Gigabit Ethernet
  • Infiniband

Storage Node

  • 2 Intel Xeon E5-2650v4 (2.2GHz 12core)
  • 64GB RAM
  • 2 480GB SSDs (sdb and sdc, RAID, / and /boot)
  • 12 4TB 7200RPM, (logical volume group vg-data, /data, RAID6)
  • Gigbit Ethernet
  • Inifiband

Compute Nodes (12)

  • 10 nodes:
    • 2 Intel Xeon E5-2640v4 (2.4GHz 10core)
    • 64GB RAM
    • 64GB SATA DOM (local filesystem)
  • 2 nodes:
    • 2 Intel Xeon Cascade Lake Gold 5215 (2.5GHz 10core)
    • 128GB RAM
    • 64GB SATA DOM (local filesystem)

Gigabit Ethernet Switch

  • Cisco 2960X

Infiniband Switch

  • Mellanox SwitchX-2

Software

  • MPI:
    • OpenMPI:
      • version 1.8.8gcc
  • Chemistry:
      • Application directory: /data/home/webmo/webmo
      • Globals config file: /data/home/webmo/webmo/globals.ini
    • Gaussian 09 (http://gaussian.com)
      • Application directory: /usr/local/gaussian
    • NBO6
      • Application directory: /usr/local/nbo6
      • Symbolic link: /usr/local/gaunbo6 → /usr/local/nbo6/bin/gaunbo6
    • GROMACS
      • Load with `module load gromacs2023.2`
      • Application directory: /usr/local/gromacs
  • Physics:
    • Charm++