CalcUA infrastructure

The CalcUA infrastructure currently consists of the clusters Hopper and Leibniz, providing a total of 320 compute nodes which deliver more than 240 teraflop of computing power.

More details? VSC website

Cluster hardware

Leibniz

Leibniz was installed in the spring of 2017. It is a NEC system consisting of 152 nodes with dual 14-core Intel E5-2680v4 Broadwell generation CPUs connected through an EDR InfiniBand network. This cluster also contains a node for visualisation, 2 nodes for GPU computing (NVIDIA Pascal generation) and one node with an Intel Xeon Phi expansion board.

  • 2 login nodes, accessible via login-leibniz.uantwerpen.be
  • 1 visualization node with a NVIDIA P5000 GPU,
    accessible via viz1-leibniz.uantwerpen.be
  • 152 compute nodes for a total of 4256 cores,
    144 with 128 GB RAM and 8 with 256 GB RAM
  • 2 GPU nodes with two NVIDIA Tesla P100 GPUs
    with 16 GB HBM2 memory per GPU
  • 1 node with an Intel Xeon Phi 7220P PCIe card with 16 GB RAM
  • InfiniBand EDR interconnect

Hopper

Hopper was installed in the spring of 2014. It is a HPE system consisting of 168 nodes with dual 10-core Intel E5-2680v2 Ivy Bridge generation CPUs connected through a FDR10 InfiniBand network.

  • 4 login nodes, accessible via login.hpc.uantwerpen.be
  • 168 compute nodes for a total of 3360 cores,
    144 with 64 GB RAM and 24 with 256 GB RAM
  • 100 TB central GPFS storage (DDN SFA7700)
  • InfiniBand FDR10 interconnect

Cluster software

User software

  • Applications : ABINIT, CP2K, Gaussian, Gromacs, NWChem, Quantum Espresso, R, Siesta, ...
  • Compilers : J2EE, GCC, Intel Cluster Studio
  • Libraries : Intel MKL, OpenBLAS, FFTW, HDF5, OpenMPI, ...

System software

  • Operating system : CentOS 7.X
  • Scheduling subsystem : Torque and MOAB
  • Monitoring subsystem : Ganglia, Nagios and CMU