| 11:20:09 AM PDT - Fri, Apr 27th 2012 |
|
Hi Don,
You have all the ECCE components (applications), but only some of them are accessible from our Gateway toolbar application. Those are the ones that make sense to start when you aren't in the "context" of a specific calculation (global tools would be another way of describing it). The Calculation Editor for instance requires you to be in the context of a calculation you have already created, although in this case it can be a brand new calculation where you haven't done anything yet like built/loaded a chemical system. Those other applications you are looking for including Calculation Editor, Basis Set Tool, and Job Launcher are started from the Organizer application. So you'll want to start the Organizer from the Gateway and then create a calculation (of type NWChem, Gaussian, etc.) using the options in the "File" menu and then ECCE will automatically select that newly created calculation in the Organizer. The right-hand pane will then display the icons for the others tools that can be invoked in the context of a calculation (they are also accessible from the Tools menu in Organizer). Those are the tools you are "missing". If you had created a molecular dynamics study instead of a calculation, then different tools would be available (e.g. MD Prepare Editor, MD Dynamics Editor, etc.). Same goes for a reaction study (e.g. Polyrate Editor, DirDyVTST Editor).
From the Organizer Help menu, select "On Organizer..." for some more information on how the Organizer works. The Organizer application is really the heart of ECCE when you use ECCE to setup and run calculations instead of just create molecules and look at NWChem output properties like many ECCE users do.
I think it's safe to ignore that missing "gio" shared library unless you find other issues and then we can revisit it. That's probably just an artifact of ECCE being built on a single operating system and hardware platform, but running it on a gamut of Linux platforms.
Gary
|