Test Your Inductiva Setup

Test your Inductiva.AI setup by running a quick Octopus simulation in the cloud before scaling to larger quantum & molecular studies.

Before diving into tutorials and benchmarks, let's ensure that your Inductiva Python package is properly set up. To confirm everything is working as expected, simply run a quick Octopus simulation — it only takes a minute!

Step 1: Copy and Run the Code

  1. Copy the code below and save it as example.py on your Desktop (or in your preferred directory).
"""Octopus example."""
import inductiva

# Instantiate machine group
cloud_machine = inductiva.resources.MachineGroup( \
    provider="GCP",
    machine_type="c2d-highcpu-4")

input_dir = inductiva.utils.download_from_url(
    "https://storage.googleapis.com/inductiva-api-demo-files/"
    "octopus-input-example.zip",
    unzip=True)

octopus = inductiva.simulators.Octopus( \
    version="16.1")

task = octopus.run( \
    input_dir=input_dir,
    commands=["octopus"],
    on=cloud_machine)

task.wait()
cloud_machine.terminate()

task.download_outputs()

task.print_summary()
  1. Open your command line, then navigate to the Desktop by running:
cd ~/Desktop
  1. Execute the Python script by running:
python example.py

Note: On some systems, you might need to use python3 instead of python.

All the necessary simulation artifacts and configuration files will be automatically downloaded to your computer. The Octopus simulation will then be sent to a cloud machine for execution.

Step 2: Verify the Task Status

After the simulation completes, a task summary will be displayed in your terminal, as shown below.

Task status: Success

Timeline:
    Waiting for Input         at 14/07, 14:59:45      0.809 s
    In Queue                  at 14/07, 14:59:45      37.042 s
    Preparing to Compute      at 14/07, 15:00:23      4.96 s
    In Progress               at 14/07, 15:00:27      20.262 s
        └> 20.096 s        octopus
    Finalizing                at 14/07, 15:00:48      0.55 s
    Success                   at 14/07, 15:00:48

Data:
    Size of zipped output:    13.57 MB
    Size of unzipped output:  21.64 MB
    Number of output files:   32

Total estimated cost (US$): 0.01019 US$
    Estimated computation cost (US$): 0.00019 US$
    Task orchestration fee (US$): 0.010 US$

Note: A per-run orchestration fee (0.010 US$) applies to tasks run from 01 Dec 2025, in addition to the computation costs.
Learn more about costs at: https://inductiva.ai/guides/basics/how-much-does-it-cost

If the task status shows Success, congratulations! You've successfully run an Octopus simulation.

This simple example tested your installation on a small machine with just 4 virtual CPUs. Inductiva offers far more powerful options to supercharge your simulations.

Need Help?

If you encounter any issues or need further assistance, don't hesitate to Contact Us. We're here to help!