Molecular modelers often face the challenge of juggling complex calculations while staying organized and efficient. Whether it’s predicting protein structures with AlphaFold or running molecular dynamics simulations with GROMACS, cloud computing can save significant computational power and time. But how do you manage all these jobs in a structured and seamless way? Enter SAMSON’s Job Manager, the ultimate tool to simplify your cloud-based simulation workflows.
What is the Job Manager?
The Job Manager in SAMSON provides an intuitive interface to manage jobs launched in the cloud. With this tool, you can start, pause, stop, and monitor your computations with ease. The results can be fetched directly into SAMSON for further analysis, keeping everything in one place.
Here’s what you can achieve with the Job Manager:
- Create computation jobs for extensions that support cloud-based functionalities.
- Control job execution, including starting, pausing, or stopping calculations.
- View detailed results and automatically sync data with your SAMSON Connect account.
How to Get Started
To open the Job Manager, navigate to Interface > Job Manager in SAMSON. The interface is user-friendly and provides a clear overview of all your active and completed jobs.
Viewing Job Details
Clicking on a job gives you all the details you need, displayed conveniently on the right side of the Job Manager. You can also edit job names and notes, which will automatically sync with your SAMSON Connect account. Here’s an example:
Downloading Job Files
Need access to your simulation data? Simply double-click a job to download all associated files. The job’s Context Menu also provides rapid access to:
- Local files (previously downloaded files).
- Remote files directly stored in the cloud.
- The job view on SAMSON Connect for sharing and collaboration.
Here’s how easy it is to download your files:
Share and Collaborate
SAMSON makes collaboration simple. You can control who has access to the jobs stored on the SAMSON Cloud and decide how to share them with colleagues. For more details on sharing, refer to the Collaboration guide.
Ready to Simplify Your Workflow?
By harnessing the power of SAMSON’s Job Manager, you can focus on the scientific aspects of your modeling projects while leaving the heavy lifting of computation management to this efficient tool. To learn more about the Job Manager and cloud services, visit the full documentation at SAMSON Cloud Documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON today at SAMSON Connect.