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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.

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), one node with dual NEC SX-Aurora TSUBASA vector processors and one node with an Intel Xeon Phi expansion board.

  • 2 login nodes, accessible via login-leibniz.hpc.uantwerpen.be
  • 1 visualization node with a NVIDIA P5000 GPU,
    accessible via viz1-leibniz.hpc.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-hopper.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

Available software

A large list of the most commonly used HPC software packages is already installed on our clusters and available to our users. However, some restrictions may apply on commercial or licensed software.

Additional software can be installed on demand. Remember to take into account the system requirements and provide us with working building instructions and licenses.

Development software

  • C/C++/Fortran compilers : Intel Parrallel Studio XE Cluster Edition, GCC
  • Message passing libraries : Intel MPI, Open MPI
  • Mathematical libraries : Intel MKL, OpenBLAS, FFTW, MUMPS, GSL, ...
  • Many other libraries : HDF5, NetCDF, Metis, ...
  • Programming languages : Python, Perl, Java

Application software

  • ABINIT, CP2K, OpenMX, QuantumESPRESSO, Gaussian
  • VASP, CHARMM, GAMESS-US, Siesta, Molpro, CPMD
  • Gromacs, LAMMPS, NAMD2
  • Telemac, FINE-Marine
  • OMNIS/LB
  • Samtools, TopHat, Bowtie, BLAST, MaSuRCA
  • Gurobi
  • Comsol, R, MATLAB, ...

System software

  • Operating system : CentOS 7.X
  • Resource management and job scheduling : Torque, MOAB
  • Software management : EasyBuild, Lmod

Contact

HPC core facility CalcUA University of Antwerp
Campus Middelheim
Middelheimlaan 1
2020 Antwerpen
Belgium
hpc@uantwerpen.be

System status

Leibniz

Leibniz is up and running.

Hopper

Hopper is up and running.

Storage

All filesystems are online.