Before opening a new issue, take a minute and make it easy for everybody else (in particular the developers!) to help you - that way you are much more likely to get a solution to your problem.
1. Isolate the problem as far as possible. If you submit a huge tpr file that sometimes fails after a million steps, it is pretty much guaranteed that nobody is going to debug it.
2. Upload a single small example of how a simulation (or some other GROMACS program) crashes. This should ideally be a single (small) conf.gro file, topol.top, and grompp.mdp. Make sure that your input files are processed without warnings for the GROMACS version you are submitting a bug report for, and don't rely on some large external force field or long script. In most cases these additional files and warnings are of course completely unrelated to the problem, but particularly in that case you are helping others a lot by not having to take them into account.
3. Provide a very concise report of exactly what commands you used (so it can be reproduced), what behavour you expected, and what you got.
4. Please don't set a target version unless you are the person working on the bug.
5. If you set the priority to "high" as a user, we assume this means you will also prioritize it yourself and provide close to instant feedback and/or help with testing. If you are a developer, setting the priority to "high" means you are working on fixing this bug yourself. In other words: Please do not set the priority to "high" just to get somebody else to fix it faster.
At some point it might be necessary to have more files (including those large scripts) to debug the problem, but you are much more likely to get help if developers do not have to search for files in several different places, read up on a number of threads on the mailing list, follow a long discussion about what you want to do, and then decipher scripts to understand what happened.
- Homepage: http://www.gromacs.org
Developer: Aleksei Iupinov, Berk Hess, Carsten Kutzner, Christian Wennberg, Christoph Junghans, David van der Spoel, Eric Irrgang, Erik Lindahl, Erik Marklund, Gerrit Code Review Bot, Gerrit Groenhof, Justin Lemkul, Magnus Lundborg, Mark Abraham, Michael Shirts, Per Larsson, Peter Kasson, Roland Schulz, Rossen Apostolov, Szilárd Páll, Teemu Murtola