Running molecular simulations in the cloud can save time and unlock access to high-performance computing hardware. But once a job is launched, how do you keep an eye on progress, review results, or even just organize your projects?
That’s where the Job Manager in SAMSON comes in. Whether you’re running protein prediction tasks using AlphaFold or simulating nanoscale systems with GROMACS, this tool helps you monitor and manage your jobs effectively—all within an intuitive interface.
What does the Job Manager do?
The Job Manager interface allows you to:
- Launch jobs directly from extensions that support cloud computations.
- Monitor status in real-time (running, paused, stopped).
- Inspect job details such as status, time, and performance metrics.
- Rename jobs or add notes for improved project organization.
- Download all related files with a simple double-click.
Opening the Job Manager
To access the Job Manager in SAMSON, use the menu bar: Interface > Job Manager. For quick access, you can also use the keyboard shortcut:
- Ctrl + 6 (Windows/Linux)
- Cmd + 6 (macOS)
Inspecting and Editing Jobs
Clicking on any job opens its details in the right panel. Here, you can monitor specific parameters and access logs or result files. You can also rename the job or add notes—helpful when collaborating or managing numerous projects.
All changes are automatically synchronized with your SAMSON Connect account.
Downloading and Accessing Job Files
Need the results for postprocessing or visualization? Just double-click a job to download all associated files. No need to dig through your cloud storage manually.
Streamline Workflow with the Context Menu
Right-click on any job to bring up the context menu. You’ll get fast access to:
- Local files (previously downloaded results)
- Remote files (stored in the cloud)
- The job’s page on SAMSON Connect
A More Organized Approach to Cloud Modeling
In busy research projects, keeping simulations organized is just as important as launching them. SAMSON’s Job Manager addresses this by giving molecular modelers a central place to track, organize, and retrieve all the jobs run in the cloud.
To explore more features and examples—including running GROMACS simulations in the cloud—visit the full documentation page: Cloud Computations in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. To get started, download it from www.samson-connect.net.