The Schrödinger job control facility

The job control facility sits on top of the slurm queuing system. Thus, when running Schrodinger jobs, please use the job control facility to check, cancel or update your jobs.

List my jobs

  • $SCHRODINGER/jobcontrol -list

If you have subjobs, append -c (child of the main job/driver):

  • $SCHRODINGER/jobcontrol -list -c

This will print something like:

Job control facility

In the above example the driver (main thread) is running on localhost (login-1 in this example) and 20 subjobs on the compute nodes on SAGA. Each Schrodinger job gets its own JobId that is internally used by the job control facility. When using the job control facility, you point to the JobId. The BatchId is the normal job id generated by SLURM and is what you will see in the queue from the command squeue -u $USER. The jobcontrol will also display the progress status of each job (Status), errors (Err), Runtime and compute nodes/Host (Host).

Cancel my jobs

If you for some reason need to cancel a job completely, you need to kill the main thread (driver). From the print above, the command would be:

  • $SCHRODINGER/jobcontrol -kill login-1-0-61288ba6

This will kill the main thread and the subjobs, and also remove them from the slurm queue.

List of jobcontrol commands

$SCHRODINGER/jobcontrol -keyword




list the jobid, job name and status. Use ‘-children’ flag to include subjobs.


show the basic information about the job


show system information about the job (pids, ports, etc.)


display the complete job record


use the given jobdb, rather than ~/.schrodinger/.jobdb2


recreate the jobdb index for the current host


recreate the jobdb index for all hosts


cancel a job that has been launched, but not started


stop the job immediately (and recover output files)


stop the job immediately and abandon output files


emergency stop, abandon output files and the job record


ask the job to stop itself as soon as possible (bmin,desmond,multisim only)


suspend the job temporarily


continue running a paused job


ask for monitoring files to be sent every sec. Specify zero seconds to turn off monitoring


list the files related to the job, with their labels


view the job file with


ask for an update of the job results (bmin only)


verify that the job is receiving messages


recover a previous job that did not complete successfully


recover jobrecord of given job(s).


remove job from the database, if completed. Use ‘-force’ flag to delete uncompleted jobs (dangerous)


wait until job finishes


interval for checking job status (default is 5 sec)


display program version and exit


display this help message

The flags can be one or more of:

additional flags



include the children of the selected jobs (for the ‘list’ action, list all subjobs individually)


don’t include the children of the selected jobs (for the ‘list’ action, don’t include subjob summaries)


include jobs with missing job records (for which only auxiliary files are present)


show debug information when performing this action even if running in nondebug mode


do not show debug information, even if running in debug mode


see ‘delete’ action above

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