Roster registration for WebMO and NQS

Legacy documentation This page describes a service provided by a retired ACENET system. Most ACENET services are currently provided by national systems, for which please visit https://docs.computecanada.ca.

If you are teaching a class and you wish your students to have access to ACENET's WebMO chemistry portal, you are encouraged to sign-up your students by submitting a list to support@ace-net.ca containing each student's

• username, and
• email address

NQS is the best filesystem to use for computational chemistry scratch files (integral files, read-write files) since it is automatically cleaned up after 30 days. The default setup for GAMESS assumes NQS is available to the student, so each user on the list will also be granted access to NQS. However, there is a latent risk here: If the user continues on with ACENET but overlooks the significance of the automatic clean-up of NQS, they might --- months or years later --- lose data. There we ask that you ensure the students understand the following. You might consider reading this these points to them and/or putting them on a slide:

• You are being given access to the WebMO web tool for computational chemistry.
• This includes access to the GAMESS, NWChem, and Q-Chem programs.
• These programs may write temporary files to a location on the ACENET server called "NQS", which stands for "No-quota scratch".
• Files written to NQS are automatically cleaned up if they are untouched for 30 days.
• You will also be capable of creating files in NQS. If you do so, they are also subject to automatic deletion after 30 day of non-use.
• This will be true as long as you have an ACENET account, even after you have completed this course.
• A notification will be sent to your email address several days in advance of any files being deleted.