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REGRESSION TEST If your system is configured and you compiled everything just try the tests with > make To do many tests in parallel, as usual > make -j 4 HOW TO ADD A NEW TEST Add a new directory rtXXX, let's say rt105, and go there: > cd rt105 Put a standard makefile there: > echo "include ../scripts/test.make" > rt105/Makefile Put in the rt105 directory a "config" files containing the options which define your test. Presently, you can try one of the following: (A) testing with simplemd type="simplemd" (B) testing with the driver. the arg variable allows to pass command line arguments to the driver type="driver" arg="--plumed=plumed.dat --timestep=0.05 trajectory.xyz" Put in the rt105 directory all the input files that you need. Typically: for simplemd: in input.xyz plumed.dat for driver: trajectory.xyz plumed.dat Many tests share can share the same trajectory file. Just add to the config file a line similar to extra_files="../trajectories/name-of-the-file" to include a common trajectory file Make: > make Copy from the newly generated tmp directory the files that you want to check and rename them into xxx.reference > cp rt5/COLVAR COLVAR.reference Add to the git repository all the files in the rt105 directory, but for report.txt and tmp directory: > git add . (this should work since report.txt and tmp are git-ignored) In this manner, other people will be able to perform the test HOW TO RESET A TEST If you get an error from a test but you think that the new result is the correct one, just go to its directory and type > make reset Then commit the modified references