Release news: More Transparency over Your Simulations with Inductiva API v0.10!

The Inductiva Team

Author

October 30, 2024

Tags:

Inductiva APIInductiva API v0.10 releaseQuantum ESPRESSOHigh-performance c4 and n4 machinesCost transparency for tasks and storage
Inductiva API v0.10 release banner

Our latest release of Inductiva API, v0.10, introduces features that bring greater control and clear visibility into every stage of your work. From tracking resource expenses for tasks and storage to monitoring task lifecycles and managing simulations directly from the Console, v0.10 is all about making your experience more transparent and efficient. Users will also benefit from new compute resources, and the integration of the Quantum ESPRESSO simulator for electronic structure simulations. 

Read on for details of what’s new and what’s better. And as always, you can check out the full release notes in our documentation here.

The TL;DR

Here’s a quick rundown of our V0.10 release updates:

  • Quantum ESPRESSO Joins the Simulator Lineup Quantum ESPRESSO is now available, expanding our suite of open-source built-in simulators integrated into our API.
  • Cost Transparency and Task Insights – Stay on top of your task costs and storage expenses with updated visibility features in Inductiva’s Console. Plus, now you can stream task logs in real-time, keeping you informed every step of the way.
  • More Control, Directly in the Console – Take charge of task management with new Console capabilities. End tasks directly from the task detail screen to streamline your workflow.
  • Even Better I/O – Download input and output files directly from the Console or CLI using shareable URLs, and access logs for easy troubleshooting.
  • More Compute Power – We’re adding c4 and n4 machine types to our cloud lineup, giving you access to even more powerful resources for your simulations.
  • More Community Resources – Our growing library of tutorials, blog posts, and resources is here to support your research. Check out recent additions like the OpenFOAM MB9 Micro-benchmark and the free-to-download 20K Wind Tunnel dataset, now available for the community.

Quantum ESPRESSO: New Possibilities for Nanoscale Research

We’ve integrated Quantum ESPRESSO into our API, a widely used open-source suite for electronic-structure calculations and atomic-scale materials modeling. Ideal for research in nanotechnology, materials science, and solid-state physics, Quantum ESPRESSO offers tools to simulate complex material properties and analyze atomic structures.

With Inductiva’s API, you can run Quantum ESPRESSO directly on the cloud—no setup or installations needed. All dependencies are pre-configured, letting you dive straight into your simulations and dynamically adjust computing resources to match your project’s needs.

Our tutorial provides setup details, a code example, and a list of allowed commands to get you started. The complete list of integrated simulators is available on our website or through Python:

		inductiva simulators list
	

Have another simulator in mind? Get in touch and let us know how we can support your research.

Cost Transparency and Real-Time Task Tracking

We’re making it easier than ever to track and manage costs with full transparency into resource usage. You already had visibility into your credits, and now, you can see estimated costs for each task and your total storage expenses at a glance:

  • Task Costs: Each task’s estimated cost is displayed alongside other task details. You can check this in the CLI using inductiva task info <task_id>, view it in the Python script output with task get_info(), or find it directly in the Console under each task.
  • Storage Costs: Once your simulations are complete, outputs are stored in your remote storage bucket at a monthly rate. View your storage size and monthly cost in the CLI with inductiva storage size or inductiva storage list, or check it right from the Console.

We’ve also improved task tracking with a more intuitive look into the lifecycle of each task. Track your task’s progress in real-time by using the task wait() command in your script, where short status messages keep you updated. Or, follow along in the Console with a detailed timeline, including timestamps and explanations for each task stage. 

task status history preview on console
Preview of Task Status History in Console

Plus, there’s an auto-refresh option that updates every 15 seconds to keep everything current. For deeper insights, our tutorials are linked directly in the Console to help you understand task stages and troubleshoot easily.

Auto-refresh option in Console: updates simulation task statuses every 15 seconds.
Auto-refresh option in Console: updates simulation task statuses every 15 seconds.

Terminate your Tasks Directly from the Console

Managing tasks just got easier! Now, you can end an active task directly from the Console. While a task is running, simply click the “Terminate” button in the task’s detail screen to stop it immediately. You’ll be prompted to confirm before the task is terminated, after which the screen automatically refreshes to display the updated status. 

Terminate simulation tasks directly from the Console with a single click
Terminate simulation tasks directly from the Console with a single click

Even Better I/O: Download, Share, and Access Task Files Easily

We’ve made it easier to access, download, and share your task files. You can now download both input and output files directly from the Console or CLI to your local computer. In the Console, head to the task detail screen where the “Input” and “Output” sections now have dedicated download buttons, saving files to your browser’s default ‘Downloads’ folder.

For easy sharing, each task’s input and output files also come with a unique URL, allowing you or collaborators to download files directly through a web browser. Input URLs become available once the task has started, and output URLs are accessible once the task is complete. Retrieve these URLs from the Console in the “Input” and “Output” sections, or directly in Python:

		task.get_input_url()
	
		task.get_output_url()
	

Logs are also easier to access. While you can still stream logs in real-time, you now have the option to download them even if the task fails. The Console provides dedicated buttons for displaying and downloading logs (stdout.txt and stderr.txt) in the “Output” section, making troubleshooting quick and straightforward.

For CLI and Python users, new commands make it easy to organise and download files by task ID, with inputs saved under inductiva_output/<task_id>/inputs and outputs under inductiva_output/<task_id>/outputs.

Here are some quick examples:

In CLI


# download all input and output files
inductiva tasks download  --input --output 

In Python


```
import inductiva

task = inductiva.tasks.Task("")

# download all inputs
task.download_inputs()


# select some input files to download
task.download_inputs(
    input_dir='json-file-and-control-txt',
    filenames=['input.json', 'control.txt'],
)
```

You can customize the download location using the inductiva.set_output_dir function to suit your setup. With these new options for downloading, sharing, and viewing files, Inductiva makes file management and troubleshooting smoother than ever.

More Power: New c4 and n4 Machines

We’re excited to add the c4 and n4 machine series to Inductiva’s cloud, bringing you even more power for your simulations. These high-performance machines are now ready for use, giving you access to faster, more efficient computational resources to match the demands of complex projects.

Curious about other available resources? Run inductiva resources available to explore the full range of machines that can support your work.

Wrapping It Up

And there you have it—the highlights of our v0.10 release! We’re thrilled to bring you new features focused on transparency, control, and performance, making it even easier to scale your simulations with Inductiva’s API. Whether you’re a long-time user or just discovering what Inductiva can do, we are here to help you streamline your simulation workflows and empower your research.

Try Inductiva Out with Free Credits

Ready to experience the full potential of Inductiva? Register today and enjoy $5 USD in free credits to explore our API’s full features, run your favorite simulators on the cloud, and access compute resources.

Don’t Forget to Upgrade

To make the most of the new features and improvements in our v0.10 release, make sure you upgrade the Inductiva client package. Simply run the following command:

pip install –upgrade inductiva

Stay Connected

Don’t miss our 20k Wind Tunnel dataset—available for free download—where we orchestrated 20,000 OpenFOAM simulations across a wide range of input parameters using our API.

Looking for more advanced examples? Check out our high-lift wing configuration simulation from the MB9 micro-benchmark of ExaFOAM, where we used our API to run simulations first on a 360 vCPU machine and then on an MPI cluster with two large machines to see if we could reduce execution time by half.

As always, your feedback shapes the future of Inductiva’s API, so feel free to share your ideas with us, request new simulators, or report any issues.

A big thank you to our team and collaborators for making this release possible—happy simulating!

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