User Guide¶

PSI/J Python is an implementation of the PSI/J specification, which is an API for abstracting HPC job management over local resource managers (LRMs), such as Slurm, LSF, and PBS.

Overview of the PSI/J API¶

The PSI/J API can be logically split into two parts: 1. The core classes, which describe jobs in an abstract fashion, independent of how and where they are executed

2. Executors and launchers, which implement specific mechanisms of executing jobs, such as running them on a SLURM cluster.

Core classes¶

The essential core classes are:

Job

Represents an abstract job which has a formal specification represented by a JobSpec instance as well as a JobStatus, which indicates, for example, whether the job is running or completed.

JobSpec

Formally specifies all static aspects of a job, such as the executable to run, the arguments, input/output redirection, as well as LRM attributes (JobAttributes) and cluster resources needed (ResourceSpec).

JobAttributes: Describes LRM attributes, such as the queue where the job is to be sent to or a project name that is used for accounting purposes.
ResourceSpec: The resource specification indicates the resources required by the job, such as the number of nodes. The ResourceSpec class is an abstract class with multiple possible concrete implementations. However, ResourceSpecV1 is currently the only concrete implementation.

JobStatus

The JobStatus class contains information about the position of the job in its lifecycle and consists of a JobState and various metadata associated with state transition events.

The following diagram highlights similarities between components of a PSI/J job, a typical shell executable invocation, and a standard LRM job:

Executors and Launchers¶

Job executors implement the specific mechanisms needed to run jobs. For example, the local job executor can be used to run jobs locally, by forking a sub-process, whereas the Slurm executor can be used to run jobs through the Slurm resource manager. The PSI/J Python library currently provides the following executors:

cobalt: ALCF’s Cobalt job scheduler

flux: Flux Scheduling Framework

local: run jobs locally

lsf: IBM Spectrum LSF

pbs: Altair’s PBS-Professional and variations, such as OpenPBS.

slurm: Slurm Scheduling System

For a complete list of executors provided by this library, please see Available Executors.

Instances of the Launcher class are used indirectly (i.e., user code does not directly instantiate Launcher objects; this is done automatically by the JobExecutor based on information in the JobSpec) to tell the JobExecutor how to launch the job. The term “launch” is specific to LRMs and generally represents the mechanism used to start a parallel job on multiple compute nodes from the job’s lead node once the job resources (compute nodes) are allocated by the LRM. Examples of launchers include mpirun, srun, ibrun, etc.

The Job Lifecycle¶

The basic flow of a PSI/J Job is as follows:

Instantiate a Job object with an appropriate JobSpec and relevant attributes and resource specification.

Obtain a JobExecutor instance using get_instance().

Submit the Job instance to the JobExecutor instance.

The status of a job can be monitored using either an asynchronous callback mechanism or, synchronously, using wait().

The following sections provide concrete details on how these steps can be achieved.

Creating a Job¶

A Job can be created by instantiating a psij.Job object together with a psij.JobSpec, which describes the details of the job:

job = Job(JobSpec(executable='/bin/date'))

The shell equivalent of this job is:

$ /bin/date

Specifying the Job Details¶

The example above creates a Job that will run the /bin/date executable. A number of other Job details can be specified:

The arguments to be passed to the executable.

The environment variables visible to the job.

Redirection of input, output, and error streams.

Cluster resource requirements for the job’s execution.

Various parameters specific to the LRM.

Job Arguments¶

The executable’s command line arguments to be used for a job are specified as a list of strings in the arguments attribute of the JobSpec instance. For example, our previous /bin/date job could be changed to request UTC time formatting:

job = Job(
    JobSpec(
        executable='/bin/date',
        arguments=['--utc']
    )
)

JobSpec properties can also be modified directly after the JobSpec instance is created:

spec = JobSpec()
spec.executable = '/bin/date'
spec.arguments = ['--utc']
job = Job(spec)

The shell equivalent for both of these jobs is:

$ /bin/date --utc

Environment Variables¶

Environment variables that are accessible by the job can be set using the environment attribute of psij.JobSpec, which is a dictionary with str keys and values:

job = Job(
    JobSpec(
        executable='/bin/date',
        environment={'TZ': 'America/Los_Angeles'}
    )
)

Environment variables set this way will override prior values of the same environment variable. The shell equivalent of the above job is:

$ TZ=America/Los_Angeles /bin/date

Redirection¶

The stdin_path attribute of psij.JobSpec can be used to specify a standard input stream for the job, whereas the stdout_path and stderr_path attributes can be used to redirect the output and error streams, respectively. The values should be pathlib.Path objects (although strings are also accepted). It is recommended that the paths be absolute to avoid ambiguities. An example of output/error redirection is shown below:

job = Job(
    JobSpec(
        executable='/bin/date',
        stdout_path=Path('/tmp/date.out'),
        stderr_path=Path('/tmp/date.err')
    )
)

The shell equivalent of this example is:

$ /bin/date 1>/tmp/date.out 2>/tmp/date.err

Job Resources¶

A job submitted to a cluster is allocated a specific set of resources to run on. The number and type of resources can be defined through a resource specification, represented by the psij.ResourceSpecV1 class, and attached to the resources attribute of psij.JobSpec. The resource specification (V1) supports the following attributes:

node_count: Allocates that number of compute nodes to the job.
processes_per_node: On the allocated nodes, executes that number of processes.
process_count: The total number of processes (MPI ranks) to be started.
cpu_cores_per_process: The number of CPU cores allocated to each launched process.
gpu_cores_per_process: The number of GPU cores allocated to each launched process.
exclusive_node_use: When this boolean flag is set to True, PSI/J will ask the LRM to ensure that no other jobs, whether from the same user or from other users, will run on any of the compute nodes allocated for this job. If this flag is set to False, the LRM will use a default setting.

The meaning of certain terms in the resource specification, such as CPU core, may depend on how the LRM is configured for that system. For, example a CPU core may refer to a physical core or to a thread in the sense of Intel’s Hyperthreading or AMD’s Simultaneous Multi-Threading technologies.

A resource specification does not need to define all available attributes. In fact, an empty resource spec is valid as it refers to a single process being launched on a single cpu core.

The following snippet creates a job that requests 2 compute nodes with 4 processes on each node, for a total of 8 processes:

job = Job(
    JobSpec(
        executable='/bin/date',
        resources=ResourceSpecV1(
            node_count=2,
            processes_per_node=4
        )
    )
)

Note

All processes of a job will share at most one MPI communicator (MPI_COMM_WORLD), independent of their placement, and the term rank (which usually refers to an MPI rank) is thus equivalent to that of process. Depending on the job launcher used (e.g., mpirun), jobs may not get an MPI communicator.

Job Launching¶

In principle, one of the main jobs of a PSI/J JobExecutor, the submission, stops when the LRM allocates resources for the job and an executable is started on the lead node of the job (the precise nature of this lead node or its exact name will vary from system to system, and head node or service node are also common.)

In order to run the job an all the allocated nodes, the job needs to be launched using a launcher, such as mpirun. The launcher is the entity that, when invoked on the lead node, starts all of the job’s processes on the compute nodes. Recommendations specific to the cluster where the job is launched should be followed when selecting a launcher.

To specify the launcher to be used, use the launcher property of JobSpec and set it to one of the available launchers, such as mpirun. For a complete list of launchers, please see Available Launchers.

Once a job is launched, the job executable is run in process_count instances, distributed on the compute nodes according to the job’s resource specification. However, it is often desirable to run certain commands that are needed to configure the job environment only once rather than as part of each process. This is the case with module load xyz commands, which can be very resource-demanding if run as part of each job process. Such commands are better invoked before the job is launched. The PSI/J JobSpec provides the pre_launch and post_launch properties, which are paths to user scripts that are guaranteed to be invoked only once for a job, before the job is launched and after all the job processes complete, respectively. The pre_launch and post_launch scripts are run on the lead node of the job and are sourced. That means that any environment variables exported by the pre_launch script will be made available to the job.

Module Loading¶

A typical and frequent task that pre_launch is supposed to address is that of loading environment modules. Running module load is somewhat resources expensive and doing so on each compute node for a large job can exacerbate this. Consequently, the recommended way of loading modules is on the lead node, before the job is launched, as the following example shows:

    ex = JobExecutor.get_instance('local')
    spec = JobSpec('/bin/bash', ['-c', 'xmodule is-loaded test'])
    spec.pre_launch = pre_launch_sh_path

    job = Job(spec)
    ex.submit(job)
    status = job.wait()

where the contents of pre_launch.sh is

#!/bin/bash

xmodule load test

Scheduler Information¶

Information specific to LRMs, like queues/partitions, runtime, and so on, can be specified using the attributes property of JobSpec and an instance of the JobAttributes class:

job = Job(
    JobSpec(
        executable="/bin/date",
        attributes=JobAttributes(
            queue_name=execparams.queue_name,
            account=execparams.account
        )
    )
)

executor.submit(job)

where QUEUE_NAME is the LRM queue where the job should be sent and ACCOUNT is a project/account that may need to be specified for accounting purposes. These values generally depend on the system and allocation being used.

Submitting Jobs¶

When a Job is instantiated, it is in the JobState.NEW state. That is, job.status.state == JobState.NEW. A job in the NEW state can be submitted to an executor. In order to obtain an executor instance, the JobExecutor.get_instance static method can be used with an executor type as parameter. The executor type can be any of the names returned by JobExecutor.get_executor_names. The resulting JobExecutor instance can then be used to submit any number of new jobs. Submission of a job is done by calling the submit() method on a JobExecutor instance:

ex = JobExecutor.get_instance('local')
job = Job(JobSpec(executable='/bin/date'))
ex.submit(job)

The JobExecutor implementation will translate all PSI/J API activities into the respective backend commands and run them on the backend, while at the same time monitoring the backend jobs for failure, completion or other state updates.

After submitting a job to a LRM, such as Slurm, the new job will be visible in the LRM queue.

A given JobExecutor instance can be used to submit multiple jobs:

spec = JobSpec('/bin/sleep', ['5'])

job_1 = Job(spec)
ex.submit(job_1)

job_2 = Job(spec)
ex.submit(job_2)

The submit() call is asynchronous. Its successful return implies that the job has been accepted by the backend or LRM for execution. It does not indicate completion of the job.

Managing Job State¶

In the above examples, jobs were submitted and left to run without waiting for them to complete. The simplest way to check for what the job is doing is to query its status property and the state property therein. However, it is rarely the case that a direct query of the job state is useful in realistic scenarios.

Synchronous Waits¶

A simple way to ensure that a job completes is to wait for it using the wait() method:

status = job.wait()
assert status is not None
assert status.state == JobState.COMPLETED

The wait() method suspends execution of the current thread until the job enters a final state, which is a state that from which no more state changes are possible. That is, once a job is in a final state, its state cannot change any further. The wait() method returns a psij.JobStatus object whose state property can be queried to find out exactly which state caused the wait() call to return. In the above example, we expect the job to have completed without error.

One can also wait for other states, such as when the job’s resources are allocated and the jobs moves from being queued to an active state:

status = job.wait(target_states=[JobState.ACTIVE])
assert status is not None
assert status.state == JobState.ACTIVE

The check for the actual state may be necessary, since the wait() method returns automatically when the job can make no more progress, such as when the job has failed.

The following diagram shows all the possible PSI/J states and all the possible transitions.

Note

The state of the job as returned by the wait() method is the state that caused the wait() call to return. It may or may not match the state obtained by subsequently querying the job’s status property, even when the former state is a final state, since threading can interfere with the perceived ordering of events and there is generally no thread-universal timeline without enforcement of critical sections by user code. In order to get a consistent timeline of state changes, callbacks should be used.

Note

A COMPLETED state requires the job to have completed successfully (i.e., with a zero exit code). A FAILED state can be reached either when the job returns a non-zero exit code or when the LRM encounters a problem either internally or with the job. To distinguish between the two possibilities, the exit_code property of JobStatus can be inspected.

Canceling Your Job¶

Once a job is submitted, it can be canceled by invoking the cancel() method (or, alternatively, cancel()).

Status Callbacks¶

Using wait() to suspend the current thread until a job completes does not scale very well with large numbers of concurrent jobs that may have complex dependencies, since every concurrent wait() call requires a separate thread and threads tend to be resources that are significantly more costly than what is otherwise associated with a Job object.

The preferred means of monitoring and reacting to job state changes is through callbacks. Callbacks can be added either to a specific job, using the set_job_status_callback() to monitor the status of that job or set_job_status_callback() to monitor the status of all jobs managed by that executor instance.

An example is shown below:

ex = JobExecutor.get_instance('local')
job = Job(JobSpec('/bin/date'))

def callback(job: Job, status: JobStatus) -> None:
    if status.state == JobState.ACTIVE:
        print('Job %s is running' % job)
    elif status.state.final:
        print('Job %s has finished' % job)

job.set_job_status_callback(callback)
ex.submit(job)

Detaching and Attaching Jobs¶

In certain circumstances it may be necessary to monitor the status of a job from a process different than that in which the job was submitted. This means that the Job instance that was used to submit the job is not available in the process where its status needs to be queried. The PSI/J Python library provides a mechanism that allows one to “re-connect” to a job that was submitted in a different process.

When a job is submitted and enters the QUEUED state, its native_id property becomes valid. The native_id represents an identifier known to the backend/LRM and is unique to a given backend/LRM and independent of the process that launched the job. A subsequent process could then instantiate a new Job object and use the attach() method to re-connect to the same backend job. An example of how this mechanism can be used is shown below:

submit.py¶

ex = JobExecutor.get_instance('local')
job = Job(JobSpec('/bin/sleep', ['10']))
ex.submit(job)
assert job.native_id is not None
print(job.native_id)

attach.py¶

ex = JobExecutor.get_instance('local')
native_id = sys.stdin.read().strip()
job = Job()
ex.attach(job, native_id)
# The status may not be updated immediately after the attach() call, so
# we wait until we get a non-NEW status.
status = job.wait(target_states=[JobState.QUEUED, JobState.ACTIVE, JobState.COMPLETED])
print(status)

Running the above example involves piping the output of the submit.py script, which contains the job’s native_id to the attach.py script:

$ python submit.py | python attach.py

Note

The attach() call does not ensure that the job status is updated before the call returns and, for efficiency reasons, most current JobExecutor implementations do not update the status until later. In order to ensure that the job state has been updated after the job is attached, a call to wait() with target_states=[JobState.QUEUED] is recommended. This call waits for the job to be in the QUEUED state or any subsequent state, effectively making the call a wait for any non-NEW states.

Note

There is no particular requirement that the native_id value supplied to attach() be obtained from the native_id property. Concrete implementations of JobExecutor can document what the native_id represents. For example, the LRM executors in PSI/J Python use LRM IDs for the native_id. Consequently, an ID obtained directly from the LRM can be used for the attach() call.

Note

Depending on configuration, many LRMs remove completed or failed jobs from their queue after a certain (typically short) interval. If a job is attached to a native id representing a LRM job that has been removed from the queue, current PSI/J job executors assume that the job has been completed. An attempt is made to detect whether the job was launched through PSI/J executors, and it may be possible, as a result, for the executor to retrieve the job exit code and distinguish between a failed and completed job, but that is not guaranteed.

Note

When a job is attached to a native_id, current executors do not update the JobSpec to reflect the LRM job represented by the native_id and is, instead, left empty.

User Guide¶

Overview of the PSI/J API¶

Core classes¶

Executors and Launchers¶

The Job Lifecycle¶

Creating a Job¶

Specifying the Job Details¶

Job Arguments¶

Environment Variables¶

Redirection¶

Job Resources¶

Job Launching¶

Module Loading¶

Scheduler Information¶

Submitting Jobs¶

Managing Job State¶

Synchronous Waits¶

Canceling Your Job¶

Status Callbacks¶

Detaching and Attaching Jobs¶

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