Bits & Bytes online Edition




System and software upgrade on the HPC extension system Draco

Ingeborg Weidl, Christian Guggenberger, Alexis Huxley, Markus Rampp, Klaus Reuter

In June 2017, the operating system of the HPC extension system Draco was upgraded from SLES11 to SLES12. This implied that all applications had to be relinked. Module software packages like GROMACS, NAMD, etc. were updated or relinked by the application support group of the MPCDF, and new module defaults were implemented for compilers, MPI, numerical libraries and applications. The upgrade of the operating system also required an upgrade of the SLURM batch system from slurm-15.08 to slurm-16.05. The queue configuration was not changed except some minor modifications of the memory limits of the large-memory nodes.

The most relevant changes in the module defaults are as follows:

    • intel/17.0(default) was: intel/16.0
    • gcc/6.3(default) was: gcc/5.4
    • impi/2017.3(default) was: impi/5.1.3
    • cuda/8.0(default) was: cuda/7.5
    • mkl/2017(default) was: mkl/11.3
    • fftw/3.3.6(default) was: fftw/3.3.4
    • elpa/2017.05(default) was: elpa/2016.11
    • magma/2.2.0(default) was: magma/2.0.2

Users are advised to recompile their application using the new default compilers and libraries.

Please note that the Python environment modules were restructured for reasons of clarity and maintainability, e.g. Anaconda Python 2 is now provided by the module 'anaconda/2/4.3.1' (in contrast to the previous naming 'anaconda/2_4.3.1'). Moreover, after loading an 'anaconda' environment module, additional depending Python packages become available via environment modules. See the output of `module avail' for a list of additional Python packages.