Octopus Available Versions:
version 16.1
Available Versions:
version 16.1
Octopus is a software package for performing density-functional theory (DFT) and time-dependent density-functional theory (TDDFT) simulations. It focuses on real-space methods to model electron-ion dynamics in systems under time-dependent electromagnetic fields.
This simulator is known for its simplicity, allowing intuitive visualizations of wave functions and electron densities. It has been successfully used to calculate spectra, laser-induced processes, and more across various systems.
With Inductiva, you can speed up your Octopus simulations by sending them to Cloud machines with hundreds of cores and terabytes of disk space.
How to Run Octopus on the Cloud
Running your Octopus simulations on the Cloud is easy. All you need is to create a short Python script that points Inductiva to the simulation artifacts you have on your computer, and we will take it from there.
On the right, we show how to use the Inductiva API to send an Octopus simulation to a 180 vCPU machine (c3d-highcpu-180) hosted on Google Cloud (GCP).
You can copy paste this Python script and adapt it to your own case. Your simulation will start right away, without waiting in a queue.
""" Octopus example."""
import inductiva
# Allocate Google cloud machine
cloud_machine = inductiva.resources.MachineGroup( \
provider="GCP",
machine_type="c3d-highcpu-180")
# Initialize the Simulator
octopus = inductiva.simulators.Octopus( \
version="16.1")
# Run simulation with config files in the input directory
task = octopus.run( \
input_dir="/Path/to/My/octopus/Files",
commands=["octopus"],
on=cloud_machine)
# Wait for the simulation to finish and download the results
task.wait()
cloud_machine.terminate()
task.download_outputs()
We've got 29 simulators ready for you to explore.
Just one click away from running your favorite open-source simulators on the cloud and at scale!
Why not give it a try? Explore our example codes and discover everything our API can offer.
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