Testing Job Submission

On Windows: Any command line prefixed with "$SCHRODINGER/" should be executed without this prefix when using the Schrödinger Command Prompt.

To test whether you can submit jobs via the Job Server infrastructure, follow these steps:

  1. Check that hosts are available for job submission:

    $SCHRODINGER/jsc hosts list 

    The above command lists all hosts that are eligible for job submission.

    For example,

    Configured Hosts:        
    	<jobserver_host>:<port>    
    		Hosts for <path/to/remote/schrodinger>:                 
     			cluster-cpu                 
     			cluster-cpu_long                 
     			cluster-cpu_himem 
    			cluster-gpu 
    	localhost:<port>             
    		Hosts for <path/to/local/schrodinger>:                 
    			localhost

    lists four hosts available for job submission on a remote Job Server host and the "localhost" for the Job Server that is running locally.

    To list available hosts for a single Schrödinger Suite installation, provide the installation directory of the Schrödinger Suite to the --job-schrodinger option.

  2. Test submission of a simple test job with the testapp program from the Schrödinger Suite:

    $SCHRODINGER/testapp -HOST <host>

    Replace <host> with an entry from the $SCHRODINGER/jsc hosts list output.

    If the job is submitted successfully, output similar to the following should appear in the terminal:

    Name: job60-laptop-6728
    JobID: edf9cfd8-50d6-11ea-bebd-8c85900ad4b5

    Note the difference between the new job identifier from the legacy Job Control job ids of the format: laptop-0-5e9dd481

    Watch the status of the job with:

    $SCHRODINGER/jsc info <job-id>

    until it completes or fails. If the job fails, check the ~/.schrodinger/job_server/logs/queue-submission-<job-id>.log file for errors.