The different versions of the run_tests.sh script have diverged enough to make it difficult to track (and easy to forget) what conditions each version is running.
We have now the following conditions (list may be incomplete):
- Running the MD engine on multiple tasks
- Running over multiple threads
- Combination of the above two
- Multiple-replicas runs (for some interface tests only)
- Writing and reading text vs. binary state files
Now that the new GROMACS interface is merged in, it is a good time to start integrating them.
The different versions of the
run_tests.shscript have diverged enough to make it difficult to track (and easy to forget) what conditions each version is running.We have now the following conditions (list may be incomplete):
Now that the new GROMACS interface is merged in, it is a good time to start integrating them.