Running molecular simulations in the cloud can save time and computational resources, especially when using tools like AlphaFold or GROMACS directly from SAMSON. But once you’ve launched your jobs, how do you stay organized? How do you check the progress, retrieve results, and avoid losing track of dozens of calculations?
This is where the Job manager in SAMSON comes in. Whether you are a researcher working on large protein systems or an educator preparing student projects, the Job manager simplifies the process of managing remote cloud calculations.
Why This Matters
Many users struggle with job tracking. After submitting a simulation to the cloud, staying informed about its status, accessing output files, or simply identifying which job corresponds to which system is often a manual and error-prone process.
When you’re running several simulations, it’s easy to misplace results or rerun jobs unnecessarily. The Job manager gives you better visibility into your cloud computations so you can maintain an efficient workflow.
What You Can Do with the Job Manager
The Job manager in SAMSON offers a number of useful features:
- Create jobs from supported extensions (e.g., AlphaFold, GROMACS wizards)
- Start, pause, or stop your jobs
- Monitor the status and progress of jobs easily
- Edit job names and add notes to keep them organized
- Sync updates automatically with your SAMSON Connect account
- Download all job files with a quick double-click
Job metadata—such as status, runtime, and notes—are visible right in the interface. This makes it easier to sort through multiple similar simulations. For example, you might annotate a set of MD simulations on mutant protein variants with relevant tags, like temperature or simulation length.
Quick File Access
Need to access your output files quickly? Right-clicking on any job reveals a context menu where you can:
- Open downloaded local files
- Access remote files in the cloud
- Open jobs directly on SAMSON Connect
This fast file access prevents you from sifting endlessly through folders to recover your trajectory files or structure predictions.
When You’re Ready to Scale Up
Planning to run more jobs or share your results with collaborators? You can manage sharing settings and track cloud usage with ease via your SAMSON Connect account. The integration is seamless, and the Job manager becomes especially helpful as your computational portfolio grows.
To learn more, visit the documentation page on cloud computing in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.