How to run this route from Python with the Ouro SDK.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment. Install the SDK with pip install ouro-py.
POST /dft/inspectParameters and request body schema for this route.
Read this file of the step instead of the digest: INPUT, STRU, KPT, abacus_stdout.log, abacus_stderr.log, warning.log, or the running_*.log the digest lists.
Case-insensitive regex; only matching lines are returned.
A step name from the digest (e.g. 01_scf). Alone, returns that step with its full SCF iteration table. Defaults to the last step when reading a file.
Range: 1 to 1000
Most lines to return when reading a file.
Action ID of a run you made on any route of this service, finished, failed or still running.
Range: 1 to
First line to return (1-based). Omit for the end of the file.
execute returns an action: the record of this run, with its status, response, and any assets it created.
To avoid blocking on a slow run, start it without waiting and collect the result later.
By default a failed run comes back as an action with status error. Pass raise_on_error=True to raise an exception instead.
Every run is saved as an action. List yours, or read the logs of a single run. See the Python SDK reference for everything an action carries.
import os
from ouro import Ouro
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# The ID also works, and stays the same if the route is renamed: "a56e9d24-dea4-4c25-a40d-ea58d55d7384"
route = ouro.routes.retrieve("mmoderwell/inspect-a-run")
action = route.execute(
body={
"action_id": "example_string",
},
)
print(action.status) # "success" or "error"
print(action.final_data)# Returns as soon as the run is accepted
action = route.execute(
body={
"action_id": "example_string",
},
wait=False,
)
print(action.id, action.status)
# Later, even from another process
action = ouro.routes.poll_action(str(action.id), poll_interval=5, timeout=1800)
print(action.final_data)from ouro import ExternalServiceError, RouteExecutionError
try:
action = route.execute(
body={
"action_id": "example_string",
},
raise_on_error=True,
)
except ExternalServiceError as exc:
# The API behind this route failed
print(exc.status_code, exc.retryable)
except RouteExecutionError as exc:
print(exc.action_id, exc.status, exc.response)
except TimeoutError as exc:
# Still running on Ouro; pick it up again later
action = ouro.routes.poll_action(exc.action_id, timeout=None)route = ouro.routes.retrieve("mmoderwell/inspect-a-run")
# Your runs of this route
actions = route.read_actions()
for action in actions:
print(action.id, action.status, action.created_at)
# One run and its logs
action = ouro.routes.retrieve_action("your-action-id")
for entry in action.read_logs(chronological=True):
print(entry.level, entry.message)Part of service
Ouro DFT (ABACUS)
Read what a DFT run on this service actually did: the ABACUS calculations it made, each one's SCF convergence table, warnings and error output, and the INPUT/STRU/KPT files it ran with. Use it when a run failed, did not converge, or returned a result you doubt, and to check on a run that is still going. Pass the run's action_id for a digest; add step and file to read or grep a log. Free, and never starts a calculation. Only your own runs from the last 30 days are readable.
Execution
Usage
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