NWChem 6.1.1 on PLX

Dear users,

We would like to inform you that a new version of NWChem (6.1.1) is now available on PLX.

You can load the module with the command

module load autoload nwchem/6.1.1

If you prefer to use the previous version (6.1), the module is still available, but it has been moved to profile/advanced:

module load autoload profile/advanced nwchem/6.1

For a list of the bug fixes of this new release, please visit  http://www.nwchem-sw.org/index.php/NWChem_6.1.1

Best Regards

HPC user support