11.2. Reporting bugs

If you are confident that you have found a bug in LAMMPS, please follow the steps outlined below:

If none of these steps yields any useful information, please file a new bug report on the GitHub Issue page. The website will offer you to select a suitable template with explanations and then you should replace those explanations with the information that you can provide to reproduce your issue.

The most useful thing you can do to help us verify and fix a bug is to isolate the problem. Run it on the smallest number of atoms and fewest number of processors with the simplest input script that reproduces the bug. Try to identify what command or combination of commands is causing the problem and upload the complete input deck as a tar or zip archive. Please avoid using binary restart files unless the issue requires it. In the latter case you should also include an input deck to quickly generate this restart from a data file or a simple additional input. This input deck can be used with tools like a debugger or valgrind to further debug the crash.

You may also send an email to the LAMMPS mailing list at “lammps-users at lists.sourceforge.net” describing the problem with the same kind of information. The mailing list can provide a faster response, especially if the bug reported is actually expected behavior. But because of the high volume of the mailing list, it can happen that your e-mail is overlooked and then forgotten. Issues on GitHub have to be explicitly closed, so that will guarantee that at least one LAMMPS developer will have looked at it.