MoleQueue JSON-RPC Specification

JSON-RPC specification

This is the proposed communication protocol, it is neither final nor implemented!

The JSON-RPC 2.0 specification is here. In a nutshell, the protocol consists of three message types: requests, responses, and notifications. Every request must be met with a reply, and a notification is simply a request object without the id member.

Requests are JSON objects with three name/value pairs:

• method (String): The method requested.
• params (Array or Object): A parameters for the requested method.
• id (Value): A unique identifier.

Each request is met with a reply of the following format:

• result (Object, Array, or Value): The result of the request. Must not exist if there was an error.
• error (Error Object): A description of the error. Must not exist if no error occurred.
• id (Value): Must be the same as the identifier used in the request.

The Error object must contain an integer error code ("code") and a descriptive error string ("message"). An optional "data" object may provide more detailed information.

As mentioned above, notifications follow the same format as requests, but will omit the id name/value pair.

Implementation

Click for details about the MoleQueue JSON-RPC Implementation.

Supported Messages

The following sections detail the requests, responses, and notifications that MoleQueue recognizes:

List of available Queues/Programs

To obtain a list of the available Queues and the programs supported by them, submit a request for the method "listQueues" with no parameters. MoleQueue will reply with an object containing a dictionary with user-set names identifying each queue, along with an array of the programs supported by each queue.

Client request:

{
  "jsonrpc": "2.0",
  "method": "listQueues",
  "id": "XXX"
}

Server response:

{
  "jsonrpc": "2.0",
  "result": {
    "Big cluster SGE" : {
      "programs" : [ "GAMESS",
                     "MOPAC",
                     "Gaussian",
                     "NWChem"
                   ]
    },
    "Remote cluster PBS" : {
      "programs" : [ "GAMESS",
                     "MOPAC",
                     "Gaussian",
                     "NWChem"
                   ]
    },
    "Local" : {
      "programs" : [ "GAMESS",
                     "MOPAC",
                     "Gaussian",
                     "NWChem"
                   ]
    }
  },
  "id": "XXX"
}

Request new job submission

Client request:

Two supported forms:

• Input file provided as a single string

{
  "jsonrpc": "2.0",
  "method": "submitJob",
  "params": {
    "queue": "Remote cluster PBS",
    "program": "MOPAC",
    "description": "PM6 H2 optimization",
    "inputAsString": "PM6\n\nH 0.0 0.0 0.0\nH 1.0 0.0 0.0\n"
  },
  "id": "XXX"
}

• Input file provided as a path

{
  "jsonrpc": "2.0",
  "method": "submitJob",
  "params": {
    "queue": "Remote cluster PBS",
    "program": "MOPAC",
    "description": "PM6 H2 optimization",
    "inputAsPath": "/path/to/local/input/file/named/h2.mop"
  },
  "id": "XXX"
}

If both inputAsPath and inputAsString are specified, inputByPath is used and the input string is ignored.

Additional (optional) parameters may be used to tweak job behavior further. Default values are provided in parenthesis:

• cleanRemoteFiles: (false) If true, any remote working directories are deleted.
• retrieveOutput: (true) If true, output files are copied back into the local working directory.
• outputDirectory: (null) If not null, this must be a string specifying a path to place completed output files, instead of the local working directory.
• cleanLocalWorkingDirectory: (false) If true, the local temporary working directory will be removed on successful job completion.
• hideFromGui: (false) If true, the job will not be displayed in the MoleQueue GUI by default (useful for automated batch jobs).
• popupOnStateChange: (true) If true, a notification popup will be displayed system tray when the job's state changes.

Server response:

• If successful, some identifiers are returned:

{
  "jsonrpc": "2.0",
  "result": {
    "moleQueueJobId": 17,
    "queueJobId": 123456,
    "workingDirectory": "/tmp/MoleQueue/17/"
  },
  "id": "XXX"
}

moleQueueJobId is a identifier that is unique to this instance of MoleQueue, while queueJobId is unique to the queue (Either a DRMS job id or a local process id).

• If unsuccessful, an error is returned:

{
  "jsonrpc": "2.0",
  "error": {
    "code": 32,
    "message": "Cannot write to local directory \"/tmp/MoleQueue/17/\". Permission denied."
  },
  "id": "XXX"
}

Cancel submitted job

Client request:

Parameter is the MoleQueue id of the job to cancel:

{
  "jsonrpc": "2.0",
  "method": "cancelJob",
  "params": {"moleQueueJobId" : 17},
  "id": "XXX"
}

Server response:

Result is the MoleQueue id of the cancel job:

{
  "jsonrpc": "2.0",
  "result": 17,
  "id": "XXX"
}

Notification of job state change

When a job changes state, MoleQueue will send a notification to all active connections of the following form:

{
  "jsonrpc": "2.0",
  "method": "jobStateChanged",
  "params": {
    "moleQueueJobId": 17,
    "oldState": "RemoteQueued",
    "newState": "Running"
  }
}

Valid states are:

• None: Initial state of job, should never be entered.
• Accepted: Job has been received and is being prepared (Writing input files, etc).
• LocalQueued: Job is being queued locally, either waiting for local execution or remote submission.
• Submitted: Job has been submitted to a remote queuing system.
• RemoteQueued: Job is pending execution on a remote queuing system.
• Running: Job is running, either remotely or locally.
• Finished: Job has completed.