Running complex simulations like molecular dynamics with GROMACS or predicting protein structures with AlphaFold often means dealing with long runtimes and high computational requirements. These tasks can significantly slow down your local system or require powerful hardware that is not always readily available.
With SAMSON’s Cloud Services, researchers can offload these computations to the cloud. But once jobs are running remotely, how can you keep track of everything in an organized way? That’s where the Job Manager in SAMSON becomes incredibly helpful.
The challenge: Tracking cloud jobs efficiently
If you’ve ever run multiple computational jobs in parallel—whether locally or remotely—you know how quickly things can become unmanageable. Which job is running? What are the parameters? Have the results downloaded? This can become even more confusing when collaborating with others.
The solution: Job Manager in SAMSON
SAMSON includes a built-in Job Manager that allows you to monitor, organize, and access your cloud computations in one place.
To open the Job Manager, go to Interface > Job manager or use the keyboard shortcut Ctrl+6 on Windows/Linux or Cmd+6 on macOS.
What you can do with the Job Manager:
- Create new jobs from within SAMSON for extensions that support cloud processing (e.g., AlphaFold, GROMACS Wizards).
- Execute and manage jobs: You can launch, pause, or stop jobs as needed.
- Review job status directly from the manager. Each job shows relevant metadata such as job name, status, and timestamps.
- Access and edit job information: You can add or modify notes for each job, and these are synced with your SAMSON Connect account.
Downloading results and managing files
Once your job is complete, you can download all associated files simply by double-clicking on the job entry.
Additionally, a convenient right-click context menu gives you quick access to:
- Local files that have already been downloaded
- Remote files still stored in the cloud
- The job page on SAMSON Connect
When collaboration is key
SAMSON’s cloud computation workflows make it easy to view and share jobs directly through SAMSON Connect. Whether you’re working solo or in a team, this feature can streamline how you manage and distribute simulation data.
To learn more about running and managing cloud-based simulations with SAMSON, visit the SAMSON Cloud Services documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.