Restart a Giga Docking Job That Stopped Due to Cost¶

Context¶

If a Gigadock job stops due to exceeding the cost threshold set for the run a Restart collection will be created by the job. This howto explains how to use the Restart collection to complete the run.

Procedure¶

Go to the job page of the Gigadock job that stopped due to exceeded the set cost threshold.
Click the ‘Go’ button next to re-run the job to open the GUI for re-running the job and make the following adjustments
- Clear the ‘Promoted Parameter->Inputs: Alternate->Input Conformer Dataset’ parameter if it was set.
- Clear the ‘Promoted Parameter->Inputs->Input Conformer Collection’ parameter and then set it to the Restart collection created by the original Gigadock job.
- Set the Cost Threshold parameter to the amount you estimate is needed to complete the run.
  
  Note
  
  If this threshold is exceeded in the new run another Restart collection will be created and this procedure can be run again using that new Restart collection.
Click ‘Start Job’ and the bottom of the floe launch UI to restart and complete the Giga Docking job.

Note

The output of the restart job will contain the output from the entire run including the first job that stopped due to exceeding the threshold. There is no need to merge the results from the restarted job with the first job.