seamm_exec

• seamm_exec package
  • Submodules
  • seamm_exec.base module
    • Base
      • Base.exec()
      • Base.get_mode_info()
      • Base.ls_format()
      • Base.name
      • Base.run()
  • seamm_exec.bundle_runner module
    • run_seamm_bundle()
  • seamm_exec.computational_environment module
    • computational_environment()
    • expand_hostlist()
    • running_scheduler()
    • scheduler_job_variables()
  • seamm_exec.docker module
    • Docker
      • Docker.exec()
      • Docker.name
  • seamm_exec.evaluator module
    • AnalysisError
    • Evaluator
      • Evaluator.close()
      • Evaluator.mdi_capable
      • Evaluator.results()
      • Evaluator.submit()
      • Evaluator.topology_key()
    • EvaluatorResult
      • EvaluatorResult.data
      • EvaluatorResult.elapsed
      • EvaluatorResult.energy
      • EvaluatorResult.gradients
      • EvaluatorResult.key
      • EvaluatorResult.ok
      • EvaluatorResult.path
      • EvaluatorResult.reason
      • EvaluatorResult.restored
      • EvaluatorResult.stress
    • Geometry
      • Geometry.n_atoms
    • REQUIRED
    • check_properties()
    • choose_path()
    • mdi_method_and_basis()
    • structure_data()
  • seamm_exec.exec_flowchart module
    • ExecFlowchart
      • ExecFlowchart.run()
    • cd
    • credential_sections()
    • get_job_id()
    • open_datastore()
    • run()
    • run_from_jobserver()
  • seamm_exec.local module
    • Local
      • Local.exec()
      • Local.name
  • seamm_exec.local_pool module
    • LocalPool
      • LocalPool.cancel()
      • LocalPool.capacity()
      • LocalPool.config_for()
      • LocalPool.fetch()
      • LocalPool.has_program()
      • LocalPool.name
      • LocalPool.reattach()
      • LocalPool.status()
      • LocalPool.submit()
      • LocalPool.wait()
  • seamm_exec.resolve module
    • available()
    • has_resolver()
    • read_config()
    • register()
    • resolve()
    • resolvers()
  • seamm_exec.scheduler_backend module
    • QueueFull
    • SchedulerBackend
      • SchedulerBackend.abandon()
      • SchedulerBackend.adopt()
      • SchedulerBackend.bundles
      • SchedulerBackend.cancel()
      • SchedulerBackend.check()
      • SchedulerBackend.fetch()
      • SchedulerBackend.forget()
      • SchedulerBackend.from_target()
      • SchedulerBackend.reason()
      • SchedulerBackend.relative()
      • SchedulerBackend.room()
      • SchedulerBackend.shared
      • SchedulerBackend.status()
      • SchedulerBackend.submit()
      • SchedulerBackend.wait()
      • SchedulerBackend.where()
    • parse_id()
    • remote_name()
  • seamm_exec.seamm_exec module
    • canvas()
  • seamm_exec.targets module
    • find_target()
    • write_target()
  • seamm_exec.task_worker module
    • The SEAMM mode
    • main()
    • run_bundle()
  • seamm_exec.tasks module
    • Manifest
      • Manifest.flush()
      • Manifest.get()
      • Manifest.save()
      • Manifest.update()
    • Resources
      • Resources.account
      • Resources.cpus_per_task
      • Resources.mem_per_cpu
      • Resources.ngpus
      • Resources.nodes
      • Resources.ntasks
      • Resources.partition
      • Resources.qos
      • Resources.walltime
    • Task
      • Task.cmd
      • Task.config
      • Task.digest()
      • Task.directory
      • Task.env
      • Task.estimated_seconds
      • Task.files
      • Task.fingerprint
      • Task.in_situ
      • Task.input_data
      • Task.key
      • Task.program
      • Task.resources
      • Task.return_files
      • Task.shell
      • Task.success_text
      • Task.target
    • TaskBackend
      • TaskBackend.cancel()
      • TaskBackend.fetch()
      • TaskBackend.name
      • TaskBackend.status()
      • TaskBackend.submit()
    • TaskResult
      • TaskResult.archive
      • TaskResult.attempts
      • TaskResult.directory
      • TaskResult.files
      • TaskResult.from_raw()
      • TaskResult.history
      • TaskResult.in_situ
      • TaskResult.key
      • TaskResult.ok
      • TaskResult.raw
      • TaskResult.reason
      • TaskResult.restored
      • TaskResult.returncode
      • TaskResult.run_directory
      • TaskResult.state
      • TaskResult.stderr
      • TaskResult.stdout
    • TaskSet
      • TaskSet.add()
      • TaskSet.backend
      • TaskSet.capacity()
      • TaskSet.local
      • TaskSet.marker_directory()
      • TaskSet.route()
      • TaskSet.run()
      • TaskSet.summary()
      • TaskSet.task_directory()
      • TaskSet.tasks_directory
    • WORKER_SCRIPT
    • run_task()
  • Module contents
    • get_executor()