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Updating module commands for SuperMUC-NG

With the recent update on SuperMUC-NG, we need to update the module commands in configure.sh and the sample jobscript. There are multiple ways to do this:

  • Just using the default modules that get preloaded (currently intel/19.0.5 intel-mpi/2019-intel intel-mkl/2019). This changes the users environment as little as possible and avoids conflicts that could arise, e.g. if intel-parallel-studio is loaded, switching the compiler fails. On the other hand, we don't have direct control over which compiler version is used exactly.
  • Load specific modules, e.g. through module unload intel-mkl intel-mpi intel and module load intel/19.0 intel-mpi/2019-intel intel-mkl/2019 (a series of module switch doesn't work, since mpi has to be unloaded before switching the compiler).

I'd prefer the fist version, what do you think?

This changes should then also the cherry-picked to ALF-2.0 and ALF-2.1

Edited by Jonas Schwab