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29.6 kB
| import glob | |
| import math | |
| import os | |
| import random | |
| import re | |
| import shutil | |
| import subprocess | |
| import tempfile | |
| import uuid | |
| import warnings | |
| import zipfile | |
| from abc import ABC, abstractmethod | |
| from concurrent.futures import ThreadPoolExecutor | |
| from datetime import datetime | |
| from enum import Enum | |
| from pathlib import Path | |
| from typing import Optional, Tuple, Union | |
| from haddock import log | |
| from haddock.core.defaults import cns_exec_linux as CNS_EXEC | |
| from haddock.libs.libsubprocess import CNSJob | |
| from haddock.libs.libutil import parse_ncores | |
| # NOTE: When creating the payload.zip, this warning appears because we are replicating `toppar_path` | |
| # subdirectory structure. It can be ignored safely, but keep an eye on it to make sure | |
| # not many operations are being duplicated | |
| warnings.filterwarnings("ignore", message="Duplicate name:*", category=UserWarning) | |
| # =====================================================================# | |
| # EXPLANATION # | |
| # =====================================================================# | |
| # `JOB_TYPE` is an environment variable that can be set to specify the | |
| # type of job associated with a given VO. This is usually important for | |
| # accounting purposes, as different job types may have different resources | |
| # associated with it. | |
| # There is an explanation about this in the user manual. | |
| # =====================================================================# | |
| JOB_TYPE = os.getenv("HADDOCK3_GRID_JOB_TYPE", "WeNMR-DEV") | |
| MAX_RETRIES = 10 | |
| # Important patterns to adjust the paths in the `.inp` file | |
| OUTPUT_PATTERN = r'\$output_\w+\s*=\s*"([^"]+)"|\$output_\w+\s*=\s*([^\s;]+)' | |
| VAR_PATTERN = r"\(\$\s*[^=]*=(?!.?\$)(.*)\)" # https://regex101.com/r/dYqlZP/1 | |
| AT_PATTERN = r"@@(?!\$)(.*)" | |
| def ping_dirac() -> bool: | |
| """Ping the Dirac server to check if it's reachable.""" | |
| if not validate_dirac(): | |
| return False | |
| result = subprocess.run(["dirac-proxy-info"], capture_output=True) | |
| if result.returncode != 0: | |
| log.error(f"Dirac proxy info failed: {result.stderr.decode().strip()}") | |
| return False | |
| return True | |
| def validate_dirac() -> bool: | |
| """Check if the DIRAC client is valid and configured.""" | |
| expected_cmds = [ | |
| "dirac-proxy-info", | |
| "dirac-wms-job-submit", | |
| "dirac-wms-job-status", | |
| "dirac-wms-job-get-output", | |
| ] | |
| for cmd in expected_cmds: | |
| # Expect the commands to be in the PATH | |
| which_cmd = shutil.which(cmd) | |
| if not which_cmd: | |
| log.error(f"Command '{cmd}' not found in PATH.") | |
| return False | |
| return True | |
| class JobStatus(Enum): | |
| WAITING = "Waiting" | |
| RUNNING = "Running" | |
| UNKNOWN = "Unknown" | |
| DONE = "Done" | |
| MATCHED = "Matched" | |
| COMPLETING = "Completing" | |
| FAILED = "Failed" | |
| STAGED = "Staged" | |
| def from_string(cls, value): | |
| """Convert string to JobStatus enum.""" | |
| value = value.strip().lower() | |
| for status in cls: | |
| if status.value.lower() == value: | |
| return status | |
| return cls.UNKNOWN | |
| class Tag(Enum): | |
| PROBING = "Probing" | |
| DEFAULT = "Default" | |
| class GridInterface(ABC): | |
| def __init__( | |
| self, | |
| input: Union[Path, str, list[str]], | |
| toppar_path: Path, | |
| module_path: Path, | |
| ) -> None: | |
| # Common attributes for all grid jobs can be defined here | |
| # Unique name for the job | |
| self.name = str(uuid.uuid4()) | |
| # Create a temporary directory for the job | |
| self.loc = Path(tempfile.mkdtemp(prefix="haddock_grid_")) | |
| # working directory where the GridJob was created, this is important | |
| # so we know where to put the files coming from the grid | |
| self.wd = Path.cwd() | |
| # `id` is given by DIRAC | |
| self.id = None | |
| # Site where the job is running | |
| self.site = None | |
| # Script that will be executed in the grid | |
| self.job_script = self.loc / "job.sh" | |
| # JDL file that describes the job to DIRAC | |
| self.jdl = self.loc / "job.jdl" | |
| # Internal status of the job | |
| self.status = JobStatus.STAGED | |
| # `expected_outputs` is what will be produced by this `.inp` file | |
| self.expected_outputs = [] | |
| # Output and error files generated by the job.sh execution | |
| self.stdout_f = None | |
| self.stderr_f = None | |
| # List of files to be included in the payload | |
| self.payload_fnames = [] | |
| # Counter for retries | |
| self.retries = 0 | |
| # Tracker for timings | |
| self.timings: dict[JobStatus, datetime] = {} | |
| # Tag for the job | |
| self.tag = Tag.DEFAULT | |
| # `input_str` is the content of the `.inp` file | |
| self.input_str = "" | |
| # `input_str_list` is a list of separate recipes` | |
| self.input_str_list = [] # Initialize the list to store separate recipes | |
| # `module_path` is the path to the CNS module files | |
| self.module_path = module_path | |
| # `toppar_path` is the path to the TOPPAR files` | |
| self.toppar_path = toppar_path | |
| # Indicator if this job has been packaged | |
| self.packaged = False | |
| # `parse_input` is an abstract compatibility method that will handle | |
| # different types of input. It can be either a string, a path or | |
| # a list of paths/strings | |
| self.parse_input(input) | |
| def package(self) -> None: | |
| # We need to process the input file first to adjust paths and identify outputs | |
| self.process_input_f() | |
| # CREATE JOB FILE | |
| self.create_job_script() | |
| # CREATE THE JDL | |
| self.create_jdl() | |
| # CREATE PAYLOAD | |
| self.prepare_payload( | |
| cns_script_path=Path(self.module_path), | |
| toppar_path=Path(self.toppar_path), | |
| ) | |
| self.packaged = True | |
| def parse_input(self, input: Union[Path, str, list[str]]) -> None: | |
| """placeholder""" | |
| pass | |
| def create_job_script(self) -> None: | |
| """Create the job script that will be executed in the grid.""" | |
| pass | |
| def process_input_f(self) -> None: | |
| """Process the input file to adjust paths and identify outputs.""" | |
| pass | |
| def create_jdl(self) -> None: | |
| """Create the JDL file that describes the job to DIRAC.""" | |
| output_sandbox = ["job.out", "job.err"] | |
| output_sandbox.extend(self.expected_outputs) | |
| output_sandbox_str = ", ".join(f'"{fname}"' for fname in output_sandbox) | |
| jdl_lines = [ | |
| f'JobName = "{self.name}";', | |
| 'Executable = "job.sh";', | |
| 'Arguments = "";', | |
| 'StdOutput = "job.out";', | |
| 'StdError = "job.err";', | |
| f'JobType = "{JOB_TYPE}";', | |
| 'InputSandbox = {"job.sh", "payload.zip"};', | |
| "OutputSandbox = {" + f"{output_sandbox_str}" + "};", | |
| ] | |
| jdl_string = "[\n " + "\n ".join(jdl_lines) + "\n]\n" | |
| # log.debug(f"JDL for job {self.name}:\n{jdl_string}") | |
| with open(self.jdl, "w") as f: | |
| f.write(jdl_string) | |
| def update_status(self) -> None: | |
| """Update the status of the job by querying DIRAC.""" | |
| try: | |
| result = subprocess.run( | |
| ["dirac-wms-job-status", str(self.id)], | |
| shell=False, | |
| capture_output=True, | |
| text=True, | |
| ) | |
| except subprocess.CalledProcessError as e: | |
| log.error( | |
| f"Updating the status failed: {e}\nStdout: {e.stdout}\nStderr: {e.stderr}" | |
| ) | |
| raise | |
| output_dict = self.parse_output(result.stdout) | |
| self.id = output_dict["JobID"] | |
| self.status = JobStatus.from_string(output_dict["Status"]) | |
| self.site = output_dict.get("Site", "Unknown") | |
| log.debug(self) | |
| if self.status == JobStatus.RUNNING and JobStatus.RUNNING not in self.timings: | |
| # job is running and we have not tracket it yet, save the time | |
| self.timings[JobStatus.RUNNING] = datetime.now() | |
| elif self.status == JobStatus.DONE and JobStatus.DONE not in self.timings: | |
| # job is done and we have not tracked it yet, save the time | |
| self.timings[JobStatus.DONE] = datetime.now() | |
| def prepare_payload(self, cns_script_path: Path, toppar_path: Path) -> None: | |
| """Prepare the payload.zip file containing all necessary files.""" | |
| # Find the CNS scripts that should be inside the payload | |
| for f in cns_script_path.glob("*"): | |
| self.payload_fnames.append(Path(f)) | |
| # Find the TOPPAR files that should be inside the payload | |
| for f in toppar_path.rglob("*"): | |
| if f.is_file(): # Only add files, not directories | |
| self.payload_fnames.append(f) | |
| # Create the payload.zip | |
| with zipfile.ZipFile(f"{self.loc}/payload.zip", "w") as z: | |
| # It must contain the CNS executable and the input file, | |
| # z.write(self.input_f, arcname=f"{self.input_f.name}") | |
| z.write(CNS_EXEC, arcname="cns") | |
| for f in set(self.payload_fnames): | |
| # NOTE: Preserve the relative path structure from `toppar_path`! | |
| # This is important because some CNS scripts have relative paths | |
| # hardcoded in it | |
| if f.is_relative_to(toppar_path): | |
| relative_path = f.relative_to(toppar_path) | |
| z.write(f, arcname=str(relative_path)) | |
| else: | |
| z.write(f, arcname=Path(f).name) | |
| def submit(self) -> None: | |
| """Interface to submit the job to DIRAC.""" | |
| # If this is a re-submission the timings will already be set, | |
| # make sure it is clean | |
| self.clean_timings() | |
| if not self.packaged: | |
| self.package() | |
| self.timings[JobStatus.WAITING] = datetime.now() | |
| try: | |
| # The SUBMIT_CMD returns the job ID in stdout | |
| result = subprocess.run( | |
| ["dirac-wms-job-submit", f"{self.loc}/job.jdl"], | |
| shell=False, | |
| capture_output=True, | |
| text=True, | |
| cwd=self.loc, | |
| check=True, | |
| ) | |
| except subprocess.CalledProcessError as e: | |
| log.error( | |
| f"Job submission failed: {e}\nStdout: {e.stdout}\nStderr: {e.stderr}" | |
| ) | |
| # TODO: Add some sort of retry/fallback mechanism here? | |
| raise | |
| # Add the ID to the object | |
| self.id = int(result.stdout.split()[-1]) | |
| # Update the status | |
| self.update_status() | |
| def retrieve_output(self) -> None: | |
| """Retrieve the output files from DIRAC. | |
| The `dirac-wms-job-get-output` command downloads the output sandbox, this means that | |
| anything that was specified in the `OutputSandbox` section of the JDL file will be | |
| put in the current working directory following the pattern: `working_dir/job_id/` | |
| """ | |
| try: | |
| subprocess.run( | |
| ["dirac-wms-job-get-output", str(self.id)], | |
| shell=False, | |
| capture_output=True, | |
| text=True, | |
| cwd=self.loc, | |
| ) | |
| except subprocess.CalledProcessError as e: | |
| log.error( | |
| f"Retrieving output failed: {e}\nStdout: {e.stdout}\nStderr: {e.stderr}" | |
| ) | |
| raise | |
| # NOTE: This is the output of the `job.sh` | |
| self.stdout_f = Path(f"{self.loc}/{self.id}/job.out") | |
| self.stderr_f = Path(f"{self.loc}/{self.id}/job.err") | |
| # If the job failed for some reason, save the output | |
| if self.stderr_f.exists(): | |
| dst = Path(self.wd / f"{self.id}_dirac.err") | |
| shutil.copy(self.stderr_f, dst) | |
| log.debug(f"ID stderr: {self.stderr_f.read_text()}") | |
| ls = glob.glob(f"{self.loc}/{self.id}/*") | |
| log.debug(f"Files in the output sandbox: {ls}") | |
| log.debug(f"Expected outputs: {self.expected_outputs}") | |
| # Copy the output to the expected location | |
| for output_f in self.expected_outputs: | |
| src = Path(f"{self.loc}/{self.id}/{output_f}") | |
| dst = Path(self.wd / f"{output_f}") | |
| shutil.copy(src, dst) | |
| def clean_timings(self) -> None: | |
| """Clean the timings dictionary.""" | |
| self.timings = {} | |
| def clean(self) -> None: | |
| """Clean up the temporary directory where the job lives.""" | |
| shutil.rmtree(self.loc) | |
| def parse_output(output_str: str) -> dict[str, str]: | |
| """Parse the output string from DIRAC commands into a dictionary.""" | |
| items = output_str.replace(";", "") | |
| status_dict = {} | |
| for item in items.split(" "): | |
| if "=" in item: | |
| key, value = item.split("=", 1) | |
| status_dict[key.strip()] = value.strip() | |
| return status_dict | |
| def _process_line(line: str) -> Tuple[str, Optional[str]]: | |
| """Process a line to identify and adjust paths.""" | |
| match_var = re.findall(VAR_PATTERN, line) | |
| match_at = re.findall(AT_PATTERN, line) | |
| # NOTE: In CNS it cannot match both patterns at the same time | |
| if match_at: | |
| item = match_at[0].strip('"').strip("'") | |
| elif match_var: | |
| item = match_var[0].strip('"').strip("'") | |
| else: | |
| # no match | |
| return line, None | |
| if Path(item).exists(): | |
| # This is a path | |
| return line.replace(item, Path(item).name), item | |
| else: | |
| # This is not a path | |
| return line, None | |
| def _find_output(line) -> Optional[str]: | |
| """Parse the line and identify if this contains an output file declaration.""" | |
| match = re.search(OUTPUT_PATTERN, line) | |
| if match: | |
| return match.group(1) if match.group(1) else match.group(2) | |
| return None | |
| def __repr__(self) -> str: | |
| return f"ID: {self.id} Name: {self.name} Output: {self.expected_outputs} Status: {self.status.value} Site: {self.site}" | |
| class GridJob(GridInterface): | |
| """GridJob is a class tha represents a job to be run on the GRID via DIRAC.""" | |
| def __init__( | |
| self, | |
| input: Union[Path, str], | |
| toppar_path: Path, | |
| module_path: Path, | |
| ) -> None: | |
| super().__init__( | |
| input=input, | |
| toppar_path=toppar_path, | |
| module_path=module_path, | |
| ) # initialize the base class | |
| def parse_input(self, input: Union[Path, str, list[str]]) -> None: | |
| """placeholder""" | |
| # NOTE: `input` can be a string or a path, handle the polymorfism here | |
| if isinstance(input, Path): | |
| self.input_str = input.read_text() | |
| elif isinstance(input, str): | |
| self.input_str = input | |
| elif isinstance(input, list): | |
| raise ValueError("GridJob input cannot be a list, use CompositeGridJob") | |
| def create_job_script(self) -> None: | |
| """Create the job script that will be executed in the grid.""" | |
| # NOTE: We use `\n` instead of `os.linesep` because this will | |
| # be executed in a Linux environment inside the grid | |
| inp_name = f"{self.name}.inp" | |
| cns_out_name = f"{self.name}.out" | |
| self.expected_outputs.append(cns_out_name) | |
| instructions = "#!/bin/bash\n" | |
| instructions += "export MODULE=./\n" | |
| instructions += "export TOPPAR=./\n" | |
| instructions += "unzip payload.zip\n" | |
| instructions += f"./cns < {inp_name} > {cns_out_name}\n" | |
| # Remove `cns.log` if there is no error | |
| instructions += f"[ $? -eq 0 ] && rm {cns_out_name} || exit 1\n" | |
| with open(self.job_script, "w") as f: | |
| f.write(instructions) | |
| def process_input_f(self) -> None: | |
| """Process the input file to adjust paths and identify outputs.""" | |
| # Write the modified lines back | |
| inp_name = Path(f"{self.loc}/{self.name}.inp") | |
| self.payload_fnames.append(inp_name) | |
| with open(inp_name, "w") as f: | |
| for line in self.input_str.splitlines(keepends=True): | |
| # Parse this line and try to identify output files | |
| output = self._find_output(line) | |
| if output: | |
| self.expected_outputs.append(output) | |
| # Process the line to adjust paths, if any | |
| new_line, found_fname = self._process_line(line) | |
| f.write(new_line) | |
| # Collect the files that need to be in the payload | |
| if found_fname: | |
| src_path = Path(found_fname) | |
| dst_path = self.loc / Path(found_fname).name | |
| shutil.copy(src_path, dst_path) | |
| self.payload_fnames.append(dst_path) | |
| class CompositeGridJob(GridInterface): | |
| def __init__( | |
| self, | |
| input: list[str], | |
| toppar_path: Path, | |
| module_path: Path, | |
| ) -> None: | |
| super().__init__( | |
| input=input, | |
| toppar_path=toppar_path, | |
| module_path=module_path, | |
| ) # initialize the base class | |
| def create_job_script(self) -> None: | |
| """Create the job script that will be executed in the grid.""" | |
| # NOTE: We use `\n` instead of `os.linesep` because this will | |
| # be executed in a Linux environment inside the grid | |
| instructions = "#!/bin/bash\n" | |
| instructions += "export MODULE=./\n" | |
| instructions += "export TOPPAR=./\n" | |
| instructions += "unzip payload.zip\n" | |
| for idx, _ in enumerate(self.input_str_list): | |
| inp_name = f"{idx}_{self.name}.inp" | |
| cns_out_name = f"{idx}_{self.name}.out" | |
| self.expected_outputs.append(cns_out_name) | |
| instructions += f"./cns < {inp_name} > {cns_out_name}\n" | |
| instructions += f"[ $? -eq 0 ] && rm {cns_out_name} || exit 1\n" | |
| with open(self.job_script, "w") as f: | |
| f.write(instructions) | |
| def parse_input(self, input: Union[Path, str, list[str]]) -> None: | |
| """Read a concatenated list of `.inp` files and split them into separate recipes.""" | |
| if not isinstance(input, list): | |
| raise ValueError("CompositeGridJob input must be a list of strings") | |
| # Join all the `.inp` contents into a single string | |
| inp = "".join(input) | |
| _input = "" | |
| lines_iter = iter(inp.split("\n")) | |
| for line in lines_iter: | |
| if line.startswith("stop"): | |
| _input += "! end of the recipe\nstop\n" | |
| self.input_str_list.append(_input.rstrip("\n")) | |
| _input = "" # Reset for next recipe | |
| else: | |
| # If next line is not "stop", we still need to add it back | |
| _input += line + "\n" | |
| # If there's remaining content without a termination signal, add it as the last recipe | |
| if _input.strip(): | |
| _input += "! end of the recipe\nstop\n" | |
| self.input_str_list.append(_input.rstrip("\n")) | |
| # Keep the original behavior for backward compatibility | |
| self.input_str = "\n".join(self.input_str_list) | |
| def process_input_f(self) -> None: | |
| """Process each recipe section separately.""" | |
| for recipe_idx, recipe_str in enumerate(self.input_str_list): | |
| inp_name = Path(f"{self.loc}/{recipe_idx}_{self.name}.inp") | |
| self.payload_fnames.append(inp_name) | |
| with open(inp_name, "w") as f: | |
| for line in recipe_str.splitlines(keepends=True): | |
| # Parse this line and try to identify output files | |
| output = self._find_output(line) | |
| if output: | |
| self.expected_outputs.append(output) | |
| # Process the line to adjust paths, if any | |
| new_line, found_fname = self._process_line(line) | |
| # Collect the files that need to be in the payload | |
| if found_fname: | |
| src_path = Path(found_fname) | |
| dst_path = self.loc / Path(found_fname).name | |
| shutil.copy(src_path, dst_path) | |
| self.payload_fnames.append(dst_path) | |
| f.write(new_line) | |
| class GRIDScheduler: | |
| """Scheduler to manage and run jobs on the GRID via DIRAC.""" | |
| def __init__( | |
| self, tasks: list[CNSJob], params: dict, probing: float = 0.05 | |
| ) -> None: | |
| self.probing: bool = True | |
| self.ncores = parse_ncores(params["ncores"]) | |
| self.batch_size = 1 | |
| self.workload: list[GridJob] = [ | |
| GridJob( | |
| input=t.input_file, | |
| toppar_path=t.envvars["TOPPAR"], | |
| module_path=t.envvars["MODULE"], | |
| ) | |
| for t in tasks | |
| ] | |
| # ===============================================================# | |
| # | |
| # ! IMPORTANT ! | |
| # | |
| # The `subset_size` is the number of jobs to be used for probing the grid | |
| # In theory we could send any number of jobs, but in practice we need to | |
| # consider that the submission itself takes time. So we can come to the | |
| # scenario in which we spend more time submitting jobs than measuring, | |
| # this means that we would not be able to properly evaluate the grid | |
| # capacity. | |
| # Here we set the `subset_size` to be the minimum between `ncores` | |
| # and the 5% of the total number of jobs. By setting it to the number | |
| # of cores, we can be sure that we will be able to measure the metrics. | |
| # We also need to ensure there is at least one job to probe the grid. | |
| # | |
| # HACK: This is not ideal, but it is a compromise between accuracy and speed. | |
| subset_size = min(self.ncores, max(1, math.ceil(len(self.workload) * probing))) | |
| # ===============================================================# | |
| # Randomly select that many jobs | |
| if len(self.workload) >= subset_size: | |
| for i in random.sample(range(len(self.workload)), subset_size): | |
| self.workload[i].tag = Tag.PROBING | |
| else: | |
| log.warning("> Not enough jobs to probe the grid, skipping probing step <") | |
| self.probing = False | |
| def run(self) -> None: | |
| """Execute the tasks.""" | |
| log.info("#" * 42) | |
| log.info("=== Running tasks with GRID Scheduler ===") | |
| self.probe_grid_efficiency() | |
| self.create_batches() | |
| self.submit_jobs() | |
| self.wait_for_completion() | |
| log.info("#" * 42) | |
| def create_batches(self) -> None: | |
| """Create batches of jobs to be submitted together.""" | |
| log.info("++ Concatenating jobs to increase efficiency...") | |
| jobs = [j for j in self.workload if j.tag == Tag.DEFAULT] | |
| toppar_path = jobs[0].toppar_path | |
| module_path = jobs[0].module_path | |
| composite_jobs = [] | |
| for i, batch in enumerate(range(0, len(jobs), self.batch_size), start=1): | |
| input = [j.input_str for j in jobs[batch : batch + self.batch_size]] | |
| log.debug(f" Payload {i}, n={len(input)} job(s)") | |
| job = CompositeGridJob( | |
| input=input, | |
| toppar_path=toppar_path, | |
| module_path=module_path, | |
| ) | |
| composite_jobs.append(job) | |
| log.info( | |
| f"++ Created {len(composite_jobs)} payload(s) with up to {self.batch_size} job(s) each" | |
| ) | |
| self.workload = composite_jobs | |
| def wait_for_completion(self) -> None: | |
| """Wait for jobs with status WAITING or RUNNING to complete.""" | |
| log.info("++ Waiting...") | |
| complete = False | |
| while not complete: | |
| jobs_to_check = [ | |
| job | |
| for job in self.workload | |
| if job.status | |
| not in {JobStatus.STAGED, JobStatus.DONE, JobStatus.FAILED} | |
| ] | |
| if jobs_to_check: | |
| log.debug(f"+ Checking status of {len(jobs_to_check)} payload(s)...") | |
| with ThreadPoolExecutor(max_workers=self.ncores) as executor: | |
| executor.map(self.process_job, jobs_to_check) | |
| else: | |
| complete = True | |
| def submit_jobs(self, tag: Tag = Tag.DEFAULT) -> None: | |
| """Submit jobs to the GRID in parallel.""" | |
| queue = [ | |
| job | |
| for job in self.workload | |
| if job.tag == tag and job.status == JobStatus.STAGED | |
| ] | |
| log.info(f"++ Submitting {len(queue)} '{tag.value}' payloads to the grid...") | |
| with ThreadPoolExecutor(max_workers=self.ncores) as executor: | |
| executor.map(lambda job: job.package(), queue) | |
| with ThreadPoolExecutor(max_workers=self.ncores) as executor: | |
| executor.map(lambda job: job.submit(), queue) | |
| def probe_grid_efficiency(self) -> None: | |
| """Submit a small number of jobs to probe the efficiency of the GRID.""" | |
| if not self.probing: | |
| return | |
| log.info("++ Probing grid efficiency...") | |
| # Submit | |
| self.submit_jobs(tag=Tag.PROBING) | |
| # Wait | |
| self.wait_for_completion() | |
| # Calculate actual durations from timestamps | |
| waiting_durations = [] | |
| running_durations = [] | |
| for job in self.workload: | |
| wait_start = job.timings.get(JobStatus.WAITING) | |
| run_start = job.timings.get(JobStatus.RUNNING) | |
| done_time = job.timings.get(JobStatus.DONE) | |
| if wait_start is None or run_start is None or done_time is None: | |
| continue # Skip jobs without complete timing info | |
| else: | |
| log.debug(f"Job {job.expected_outputs}") | |
| log.debug(f" timings: {job.timings}") | |
| # Calculate waiting duration (WAITING to RUNNING) | |
| waiting_duration = (run_start - wait_start).total_seconds() | |
| waiting_durations.append(waiting_duration) | |
| # Calculate running duration (RUNNING to DONE) | |
| running_duration = (done_time - run_start).total_seconds() | |
| running_durations.append(running_duration) | |
| if not running_durations or not waiting_durations: | |
| log.warning( | |
| "> Average running time is zero, cannot calculate optimal batch size <" | |
| ) | |
| return | |
| # Calculate average durations | |
| avg_waiting = sum(waiting_durations) / len(waiting_durations) | |
| avg_running = sum(running_durations) / len(running_durations) | |
| target_efficiency = 0.9 | |
| batch_size = self.calculate_optimal_batch_size( | |
| N=self.batch_size, | |
| W=avg_waiting, | |
| R=avg_running, | |
| T=target_efficiency, | |
| ) | |
| # Make sure batch size is not larger than the number of default jobs | |
| # TODO: Add a warning if this happens? | |
| batch_size = min( | |
| batch_size, len([j for j in self.workload if j.tag == Tag.DEFAULT]) | |
| ) | |
| self.batch_size = batch_size | |
| def calculate_optimal_batch_size(N: int, W: float, R: float, T: float) -> int: | |
| """Calculate the optimal batch size to achieve target efficiency.""" | |
| # The efficiency of a given batch can be described as: | |
| # | |
| # E = N * R / W + N * R | |
| # | |
| # Where E is efficiency, N is the number of jobs running at the same time | |
| # R is the average running time, W is the average waiting time | |
| # | |
| # The current efficiency is then: | |
| E = (N * R) / (W + N * R) | |
| log.info(f"+ Current efficiency with {N} job(s) per payload: {E:.1%}") | |
| # So to achieve a target efficiency T | |
| # We solve for N, which is the batch size: | |
| # E = N * R / W + N * R | |
| # T * (W + N * R) = N * R | |
| # T * W + T * N * R = N * R | |
| # T * W = N * R - T * N * R | |
| # T * W = N * R * (1 - T) | |
| # N = T * W / R * (1 - T) | |
| batch_size = (T * W) / (R * (1 - T)) | |
| batch_size = max(1, round(batch_size)) # Ensure at least 1 job | |
| return batch_size | |
| def process_job(job: GridJob) -> None: | |
| """Process a single job: update status, retrieve output if done, handle retries if failed. | |
| NOTE: This function is parallelized, that is why things like cleaning, download, retry | |
| are here. If you are adding new functionality, consider if it should be here or in the | |
| sequential part of the code. | |
| """ | |
| job.update_status() | |
| if job.status == JobStatus.FAILED: | |
| # Jobs on the grid can fail for many reasons outside our control | |
| # So if the job is failed, resubmit it up to MAX_RETRIES times | |
| if job.retries < MAX_RETRIES: | |
| expected_output_str = ",".join(job.expected_outputs) | |
| job.retries += 1 | |
| log.warning( | |
| f"> Job {job.name} ({expected_output_str}) failed on {job.site}, re-submitting - {job.retries}/{MAX_RETRIES} <" | |
| ) | |
| log.debug(f"job {job.name} at {job.loc}") | |
| job.submit() | |
| # TODO: Add some sort of fallback mechanism here if it reaches the MAX_RETRIES | |
| if job.status == JobStatus.DONE: | |
| log.debug(f"Job {job.name} is done, retrieving output...") | |
| job.retrieve_output() | |
| log.debug(f"job {job.name} at {job.loc}") | |
| job.clean() | |