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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 text was updated successfully, but these errors were encountered:
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):
Now that the new GROMACS interface is merged in, it is a good time to start integrating them.
The text was updated successfully, but these errors were encountered: