update simfactory files for SuperMUC (NG)

[Roland Haas]

@Giuseppe Ficarra and @helvi witek kindly provided updated files for SuperMUC. Since I may not have time to handle them in a timely manner myself, they are attached to this ticket in case anyone would like to take a stab at incorporating them into simfactory proper.

Right now the submit script likely needs to be updated and split into submit and run script parts. The ini file likely needs updating due to SuperMUC itself actually being retired and being replaced by supermucng possible meaning that simfactory should have a new machine entry and retire the supermuc name.

See https://www.lrz.de/services/compute/supermuc/ and https://doku.lrz.de/display/PUBLIC/SuperMUC-NG for information on the two systems.

[Roland Haas]

Pull request is here:

https://bitbucket.org/simfactory/simfactory2/pull-requests/40/add-files-for-supermuc-provided-by/diff

[Roland Haas]

@helvi witek @Giuseppe Ficarra please have a look at the pull request. The only real changes were:

• use hdf5/1.10.2-intel-impi-frt-threadsafe instead of hdf5/1.10.2-intel-impi-threadsafe because the latter no longer exists
• use -xCORE-AVX512 instead of -xCORE-AVX2 to enable AVX512 support (which the SkyLake CPUs provide)
• added an --rpath for gcc’s libraries so that one does not needs module load gcc in the run script

Mostly the cfg file should be unchanged by the ini, sub and run scripts are basically written from scratch (or copied from Stampede2-skx’s files).

With this setup I can run the static-tov.par example.

Since LRZ also uses /dss/dsshome1/<hash>/$USER with hash not guessable (at least I could not) this will require the same notice as TACC machines about having to edit basedir and sourcebasedir.

[Roland Haas]

Please review.

[Roland Haas]

Verified in private conversation with @Giuseppe Ficarra that there is nothing crazy in the proposed file changes and that he can compile with these changes.

[Roland Haas]

Applied as git hash 30e5977 "supermucng: remove no longer used F77 options" of simfactory2