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Docs: add section on basic performance benchmark (aiidateam#5635)
The section provides a basic script to benchmark the performance of an AiiDA installation by launching a number of `ArithmeticAddCalculation` jobs. The script by default automatically sets up the required `Code` and localhost `Computer`. All created nodes are automatically deleted from the database at the end. The documentation gives instructions on how to run the script and provides example output of a run on a typical work station including completion times for runs with variable number of daemon workers. This should give users an idea of the performance of their installation.
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docs/source/howto/include/scripts/performance_benchmark_base.py
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| #!/usr/bin/env python | ||
| # -*- coding: utf-8 -*- | ||
| """Script to benchmark the performance of the AiiDA workflow engine on a given installation.""" | ||
| import click | ||
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| from aiida.cmdline.params import options | ||
| from aiida.cmdline.utils import decorators, echo | ||
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| @click.command() | ||
| @options.CODE(required=False, help='A code that can run the ``ArithmeticAddCalculation``, for example bash.') | ||
| @click.option('-n', 'number', type=int, default=100, show_default=True, help='The number of processes to submit.') | ||
| @decorators.with_dbenv() | ||
| def main(code, number): | ||
| """Submit a number of ``ArithmeticAddCalculation`` to the daemon and record time to completion. | ||
| This command requires the daemon to be running. | ||
| The script will submit a configurable number of ``ArithmeticAddCalculation`` jobs. By default, the jobs are executed | ||
| using the ``bash`` executable of the system. If this executable cannot be found the script will exit. The jobs will | ||
| be run on the localhost, which is automatically created and configured. At the end of the script, the created nodes | ||
| will be deleted, as well as the code and computer, if they were automatically setup. | ||
| """ | ||
| import shutil | ||
| import time | ||
| import uuid | ||
| import tempfile | ||
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| from aiida import orm | ||
| from aiida.common import exceptions | ||
| from aiida.engine import submit | ||
| from aiida.engine.daemon.client import get_daemon_client | ||
| from aiida.plugins import CalculationFactory | ||
| from aiida.tools.graph.deletions import delete_nodes | ||
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| client = get_daemon_client() | ||
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| if not client.is_daemon_running: | ||
| echo.echo_critical('The daemon is not running.') | ||
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| computer_created = False | ||
| code_created = False | ||
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| if not code: | ||
| label = f'benchmark-{uuid.uuid4().hex[:8]}' | ||
| computer = orm.Computer( | ||
| label=label, | ||
| hostname='localhost', | ||
| transport_type='local', | ||
| scheduler_type='direct', | ||
| workdir=tempfile.gettempdir(), | ||
| ).store() | ||
| computer.configure(safe_interval=0.0) | ||
| echo.echo_success(f'Created and configured temporary `Computer` {label} for localhost.') | ||
| computer_created = True | ||
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| executable = shutil.which('bash') | ||
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| if executable is None: | ||
| echo.echo_critical('Could not determine the absolute path for the `bash` executable.') | ||
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| code = orm.Code(label='bash', remote_computer_exec=(computer, executable)).store() | ||
| echo.echo_success(f'Created temporary `Code` {code.label} for localhost.') | ||
| code_created = True | ||
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| cls = CalculationFactory('arithmetic.add') | ||
| builder = cls.get_builder() | ||
| builder.code = code | ||
| builder.x = orm.Int(1) | ||
| builder.y = orm.Int(1) | ||
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| time_start = time.time() | ||
| nodes = [] | ||
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| with click.progressbar(range(number), label=f'Submitting {number} calculations.') as bar: | ||
| for iteration in bar: | ||
| node = submit(builder) | ||
| nodes.append(node) | ||
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| time_end = time.time() | ||
| echo.echo(f'Submission completed in {(time_end - time_start):.2f} seconds.') | ||
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| completed = 0 | ||
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| with click.progressbar(length=number, label='Waiting for calculations to complete') as bar: | ||
| while True: | ||
| time.sleep(0.2) | ||
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| terminated = [node.is_terminated for node in nodes] | ||
| newly_completed = terminated.count(True) - completed | ||
| completed = terminated.count(True) | ||
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| bar.update(newly_completed) | ||
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| if all(terminated): | ||
| break | ||
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| if any(node.is_excepted or node.is_killed for node in nodes): | ||
| echo.echo_warning('At least one submitted calculation excepted or was killed.') | ||
| else: | ||
| echo.echo_success('All calculations finished successfully.') | ||
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| time_end = time.time() | ||
| echo.echo(f'Elapsed time: {(time_end - time_start):.2f} seconds.') | ||
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| echo.echo('Cleaning up...') | ||
| delete_nodes([node.pk for node in nodes], dry_run=False) | ||
| echo.echo_success('Deleted all calculations.') | ||
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| if code_created: | ||
| code_label = code.full_label | ||
| orm.Node.objects.delete(code.pk) | ||
| echo.echo_success(f'Deleted the created code {code_label}.') | ||
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| if computer_created: | ||
| computer_label = computer.label | ||
| user = orm.User.objects.get_default() | ||
| auth_info = computer.get_authinfo(user) | ||
| orm.AuthInfo.objects.delete(auth_info.pk) | ||
| orm.Computer.objects.delete(computer.pk) | ||
| echo.echo_success(f'Deleted the created computer {computer_label}.') | ||
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| echo.echo(f'Performance: {(time_end - time_start) / number:.2f} s / process') | ||
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| if __name__ == '__main__': | ||
| main() |
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| Original file line number | Diff line number | Diff line change |
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@@ -15,6 +15,7 @@ Topics | |
| plugins | ||
| schedulers | ||
| transport | ||
| performance | ||
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| .. todo:: | ||
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