pyiron_base.jobs.job.runfunction

Functions

execute_command_with_error_handling(...[, ...])	Execute command including error handling and support for execution in separate conda environment
execute_job_with_calculate_function(job)
execute_job_with_external_executable(job)
execute_subprocess(executable, shell, ...[, ...])	Execute a subprocess with the given parameters.
handle_failed_job(job, error)	Handle failed jobs write error message to text file and update database
handle_finished_job(job[, job_crashed, ...])	Handle finished jobs, collect the calculation output and set the status to aborted if the job crashed
multiprocess_wrapper(working_directory[, ...])	Wrapper function for running a job in a separate process.
raise_runtimeerror_for_failed_job(job)
run_job_with_parameter_repair(job)	Internal helper function the run if repair function is called when the run() function is called with the 'repair' parameter.
run_job_with_runmode_executor(job, executor)	Introduced in Python 3.2 the concurrent.futures interface enables the asynchronous execution of python programs.
run_job_with_runmode_executor_flux(job, executor)	Interface for the flux.job.FluxExecutor executor.
run_job_with_runmode_executor_futures(job, ...)	Interface for the ProcessPoolExecutor implemented in the python standard library as part of the concurrent.futures module.
run_job_with_runmode_manually(job[, ...])	Internal helper function to run a job manually.
run_job_with_runmode_modal(job)	The run if modal function is called by run to execute the simulation, while waiting for the output.
run_job_with_runmode_non_modal(job)	The run if non modal function is called by run to execute the simulation in the background.
run_job_with_runmode_queue(job)	The run if queue function is called by run if the user decides to submit the job to and queing system.
run_job_with_runmode_srun(job)
run_job_with_status_busy(job)	Internal helper function the run if busy function is called when the job status is 'busy'.
run_job_with_status_collect(job)	Internal helper function the run if collect function is called when the job status is 'collect'.
run_job_with_status_created(job)	Internal helper function the run if created function is called when the job status is 'created'.
run_job_with_status_finished(job)	Internal helper function the run if finished function is called when the job status is 'finished'.
run_job_with_status_initialized(job[, debug])	Internal helper function the run if new function is called when the job status is 'initialized'.
run_job_with_status_refresh(job)	Internal helper function the run if refresh function is called when the job status is 'refresh'.
run_job_with_status_running(job)	Internal helper function the run if running function is called when the job status is 'running'.
run_job_with_status_submitted(job)	Internal helper function the run if submitted function is called when the job status is 'submitted'.
run_job_with_status_suspended(job)	Internal helper function the run if suspended function is called when the job status is 'suspended'.
run_time_decorator(func)
write_input_files_from_input_dict(...)	Write input files based on hierarchical input dictionary.

Classes

CalculateFunctionCaller(write_input_funct, ...)