7. Frequently Asked Questions

7.1. How can I create a custom kernel?

Creating custom kernels is discussed here in Writing New Application Kernels

7.2. Why do I need a MongoDB to run EnsembleMD ?

A MongoDB instance is used for task coordination and stores the information about the states of each of the tasks.

7.3. What are all the remote machines that EnsembleMD currently supports?

Ensemble MD relies on RADICAL Pilot to support execution on different machines. A list of machines supported is provided in List of Pre-Configured Resources and a method to add new machines (not in the pre-configured list) is provided in Writing a Custom Resource Configuration File.

7.4. My Ensemble MD script fails with error X. How do I report the error ?

If you encounter an error in any of the examples in the document or in a script that you created, you can report it to the developers. In order to do this, please re-run your script with two environment variables RADICAL_ENMD_VERBOSE=debug and RADICAL_PILOT_VERBOSE=debug. This would create a ton of messages that you can capture in a file (preferred) or copy on to your clipboard. For example,

RADICAL_ENMD_VERBOSE=debug RADICAL_PILOT_VERBOSE=debug python get_started.py
  • Using this, you can now create a ticket using the bug tracker. Click on the green New Issue button, give it a title, attach the file (or paste the contents in text field), add any detail that you can give us and Submit.
  • You can also report the same to the mailing list.

7.5. Can I interrupt my script to terminate gracefully ?

Yes. You can gracefully terminate the executing script by pressing Ctrl+C. Once you do this, please wait for a few seconds as it may take time to cancel the job running on the target machine and cleanup other components.