Marconi: reorganization of modules for Broadwell and KNL and new profile/knl

Dear Users,

following the indications of Intel specialists, advising to generate for the same executable two different binaries for the Broadwell and KNL partitions, we introduced a new profile (profile/knl) containing the modules for the applications recompiled (with the -xMIC-AVX512 flag) for the KNL nodes.

These modules are additionally identified with the _knl suffix, appended to the version number of the application (e.g., gromacs/2016.1_knl, qe/6.0_knl etc.). If you are using the KNL partition, just change your submission script adding the loading of the profile/knl and the module of the application you intend to use, for instance:

module load profile/knl

module load autoload gromacs/2016.1_knl

Please note that the recompilation process is still ongoing, hence the profile/knl is not complete yet. If the application you intend to use is not present in the profile, you can safely use the binaries compiled for the Broadwell nodes, but expect lower performances with respect to the knl-optimized executables. 

The modules contained in the usual domain profiles (chem, phys etc.) refer instead to the binary compiled for use on the Broadwell partition.

Best regards

HPC User Support @ CINECA