CPMD update on MARCONI

Dear users,

the module cpmd/4.1 has been installed on MARCONI.

This new module can be bound in domain profiles, profile/phys and profile/chem. It substitutes the previous cpmd/4.17 (that, despite the name, was actually referring to an older version of the software, 3.17.1). It il also compiled with the qmmm option, while the previous version wasn't.
Also, it is available a version of CPMD compiled with KNL optimization, cmpd/4.1_knl in profile/knl.

Please change your jobscripts accordingly, to avoid errors related to the name of the loaded module. If you need the previous version of CPMD, you can still find it in the profile/archive.

Best regards,
HPC User Support - CINECA