Package schrodinger :: Package job :: Module launchapi :: Class JobSpecification

Class JobSpecification

object --+
         |
        JobSpecification

This class provides a serializable job definiton and consists of a task specification along with runtime parameters.

Currently unsupported features:

Runtime requirements (e.g. GPU, memory requirements).

Features that will probably never be supported:

The equivalent of job control's '-LOCAL' option.
Log and monitor files.
Full shell commands. (Arguments must be provided as a list of strings. Chaining commands together is not supported. Redirection is provided only through APIs.)

Instance Methods

[hide private]

__init__(self, task_spec, runtime_params)
x.__init__(...) initializes x; see help(type(x)) for signature

asJSON(self, **kwargs)

_validate(self)
Validate that all the necessary inputs are present in the runtime parameters.

_validateOutputFilenames(self)
Check for runtime name collisions.

_getKeyValue(self, match)
Return the value of the key in the provided match object.

_subInputOrJobname(self, string)
Replace template keys with the appropriate values.

getCommand(self)
Return the shell command that will run the job.

getOutputFile(self, key, stream=None, incorporate=None)
Get the output file corresponding to the given key from the job specification.

getOutputFiles(self, stream=None, incorporate=None)
Get all the output files from the job specification.

_getRedirect(self, key)

getStderr(self)

getStdout(self)

getDefaultStderr(self)

getDefaultStdout(self)

useSchrodingerRun(self)

getInputFiles(self)

getHost(self)

debugEnabled(self)

getJobname(self)

getProgramName(self)

driverReservesCores(self)
If True, the driver will allocate N slots matching -HOST hostname: N processes.

jobUsesTPP(self)
If True, this job will allocate N slots on one node matching -TPP N.

getLicenses(self)
Returns licenses as a list of tuples of ( license_name, num_tokens)

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

[hide private]

fromJSON(json_job_spec)
Return a JobSpecification instance created from the provided JSON.

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, task_spec, runtime_params)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

_validate(self)

Validate that all the necessary inputs are present in the runtime parameters. Raise RuntimeParametersError if not.

_getKeyValue(self, match)

Return the value of the key in the provided match object.

Parameters:

match (re.MatchObject) - A match of a template key.

getCommand(self)

Return the shell command that will run the job.

Returns:: list of str

getOutputFile(self, key, stream=None, incorporate=None)

Get the output file corresponding to the given key from the job specification.

Parameters:

stream - If stream=True, the file is returned only if it is a log file. If stream=False, the file is returned only if it is an output file. If stream=None, the file is returned.

getOutputFiles(self, stream=None, incorporate=None)

Get all the output files from the job specification.

Parameters:

stream (True, False or None(Default)) - If stream=None, both ouput and log files are returned. If stream=True, only log files are returned. If stream=False, only output files are returned. Defaults to None. Optional.
incorporate - If incorporate=None, incorporatable and other files are returned. If incorporate=True, only files to be incorporated are returned. If incoporate=False, only output files not incorporated are returned.

driverReservesCores(self)

If True, the driver will allocate N slots matching -HOST hostname: N processes. This is useful when the driver allocates parallel slots on one node so it can resubmit jobs to localhost. If no N is specified, assume to be 1.

This is an optimization to avoid resubmission back to the queue if we know we are running a set of parallel jobs with the same CPU requirements.

jobUsesTPP(self)

If True, this job will allocate N slots on one node matching -TPP N.

If False, this job uses TPP as an option to pass along to subjobs

Class JobSpecification

__init__(self, task_spec, runtime_params) (Constructor)

_validate(self)

_getKeyValue(self, match)

getCommand(self)

getOutputFile(self, key, stream=None, incorporate=None)

getOutputFiles(self, stream=None, incorporate=None)

driverReservesCores(self)

jobUsesTPP(self)

init(self, task_spec, runtime_params)
(Constructor)