To write a useful bug report, please include as much detail as possible. Describe exactly what you are doing, what you expect to happen, and what is happening instead. If possible, provide a complete test case that can be used to reproduce the problem including a complete, self-contained script and all necessary input files. It is very difficult to fix a bug if we cannot reproduce it. Also include all of the following information.
- How you installed OpenMM (pip, conda, compile from source, etc.).
- The operating system and hardware (e.g. GPU model) you are using.
- The platform (CUDA, OpenCL, etc.) you are using.
- Any other software (Python libraries, setup tools, etc.) you are using along with OpenMM to implement your workflow.
- The output of the command `python -m openmm.testInstallation`. It reports details about your installation and checks for some basic problems.
Feature suggestions are most useful when they include enough context to help us fully understand the suggested feature. What problem is it meant to solve? How would the feature contribute to solving the problem? Have you considered alternative solutions that might also work? If your suggestion is to implement a published algorithm, please include a link to the publication.
To request help, please describe as precisely as possible what you are trying to accomplish, any steps you have taken so far to accomplish it, and what is not working. The more background you can provide to help us understand the problem, the better. Also include any of the following information that is relevant.
- How you installed OpenMM (pip, conda, compile from source, etc.).
- The operating system and hardware (e.g. GPU model) you are using.
- The platform (CUDA, OpenCL, etc.) you are using.
- Any other software (Python libraries, setup tools, etc.) you are using along with OpenMM to implement your workflow.
- The output of the command `python -m openmm.testInstallation`. It reports details about your installation and checks for some basic problems.
