Certara.RDarwin (version 1.1.1)

pyDarwinOptionsGridAdapter: Grid Adapter Options for pyDarwin

Description

This function creates a list of grid adapter options for pyDarwin, which are used to configure the interaction between pyDarwin and grid computing environments.

Usage

pyDarwinOptionsGridAdapter(
  python_path = "~/darwin/venv/bin/python",
  submit_search_command = paste("qsub -b y -cwd -o {project_stem}_out.txt",
    "-e {project_stem}_err.txt -N '{project_name}'"),
  submit_command = paste("qsub -b y -o {results_dir}/{run_name}.out",
    "-e {results_dir}/{run_name}.err -N {job_name}"),
  submit_job_id_re = "Your job (\\w+) \\(\".+?\"\\) has been submitted",
  poll_command = "qstat -s z",
  poll_job_id_re = "^\\s+(\\w+)",
  poll_interval = 10,
  delete_command = "qdel {project_stem}-*"
)

Value

A list containing the configured grid adapter options.

Arguments

python_path

Required. Path to Python interpreter, preferably to the instance of the interpreter located in the virtual environment where pyDarwin is deployed. The path must be available to all grid nodes that run jobs.

submit_search_command

Required. A command that submits a search job to the grid queue. This command is used for the entire search.

submit_command

Required. A command that submits individual runs to the grid queue. The actual command submitted to the queue is constructed by pyDarwin. It should not include <python_path> -m darwin.run_model.

submit_job_id_re

Required. A regular expression pattern to extract the job ID after submission. The job ID must be captured with the first capturing group.

poll_command

Required. A command that retrieves finished jobs from the grid controller. If the controller/setup allows to specify ids/patterns in polling commands, do it. Otherwise, all finished jobs should be polled using commands qstat -s z.

poll_job_id_re

Required. A regular expression pattern to find a job ID in every line of the poll_command output. Similar to submit_job_id_re.

poll_interval

Optional. How often to poll jobs (in seconds). Default is 10 seconds.

delete_command

Optional. A command that deletes all unfinished jobs related to the search when you stop it. It may delete all of them by ID (e.g., qdel {job_ids}) or by mask (e.g., qdel {project_stem}-*)..

Examples

grid_options <- pyDarwinOptionsGridAdapter(
  python_path = "~/darwin/venv/bin/python",
  submit_search_command =
    "qsub -b y -cwd -o {project_stem}_out.txt -e {project_stem}_err.txt -N '{project_name}'",
  submit_command =
    "qsub -b y -o {results_dir}/{run_name}.out -e {results_dir}/{run_name}.err -N {job_name}",
  submit_job_id_re = "Your job (\\w+) \\(\".+?\"\\) has been submitted",
  poll_command = "qstat -s z",
  poll_job_id_re = "^\\s+(\\w+)",
  poll_interval = 10,
  delete_command = "qdel {project_stem}-*"
)