CPMD 3.15.3_rev2606 is up

Dear users,

this is to inform you that a new version of the molecular dynamics application CPMD has been installed in FERMI's profile/base module environment.
The new module, 3.15.3_rev2606, has been designed from the developers of the software specifically for improving the performances on BG/Q architecture at their best. The module also provides:
- QM\MM Gromos interface
- hfx parallel approach, best suited for BG/Q architectures
- plumed 1.3 patch
- standard, extended and vdb pseudopotential libraries

This new module has become the default module when loading cpmd, so if you want to finish your simulations with the previous module you have to type:
module load cpmd/3.15.3_hfx

We remind you that CPMD is a licensed software. Therefore, if you want to use the module you have to send to superc@cineca.it a self-declaration of your license possession and wait for the abilitation.

More detailed informations with "module help cpmd"

Best regards,
HPC User support