WebMO Help - Creating Jobs

Running New Jobs

From Job Manager, choose New Job: Create New Job. This brings up the Build Molecule page, where a molecule can be drawn or imported.

New Job on Job Manager Page

Running a Job from an Existing Geometry

It is common to use the result of one calculation as the input for another calculation, e.g., using an optimized geometry for a frequency calculation. From the View Job page, click the New Job Using This Geometry button or the forward arrow (). The displayed geometry will be imported into the Build Molecule page. The previous computational engine, job name, and job options will be selected by default.

New Job Using This Geometry

Running Input Files

Sometimes one has a job input file from another source that one wishes to run on a WebMO implementation.

From Job Manager, choose New Job: Execute Input File. This brings up a dialog box for the input file. Supply the following information:

Click the Execute Job button to submit your job. This process bypasses the Build Molecule, Choose Engine, and Configure Job Options pages.

Execute Input File Dialog Box