MPMC Tests

This repository contains the tests, test inputs, and test runner (test.py) for MPMC.

The only dependencies are Python 3.6 or newer and MPMC itself.

How to Write Tests

Each test needs three files:

• A description file placed in the tests/ directory,
• An MPMC input file placed in the inputs/ directory, and
• A pqr file also placed in the inputs/ directory.

Description Files

The following would be found in tests/example.txt:

name example
input example.inp
pqr example.pqr
term OUTPUT: example energy
output 12345.6789
precision exact

example.inp and example.pqr are both in the inputs/ directory, as noted above.

Notes on Test Options

A precision of exact is the same as setting the precision to 0.0.

For comparisons, use less(<), lesser(<=), more(>), or greater(>=) as needed.

If you want to find the LAST occurrence of your search string, use search reverse in your input. This is useful for testing properties at equilibrium.

Running Tests

The test runner expects the mpmc_testing directory to be inside the main mpmc directory, with the mpmc executable itself being in mpmc/build/.

mpmc must be compiled for Release before running the tests. Just run bash compile.sh from the MPMC directory root to accomplish this.

Then, from the mpmc_testing directory: python3 run_tests.py

Running Tests in Parallel

mpmc_testing supports running tests in parallel using Python's joblib library. Use pip3 install joblib (with appropriate flags as necessary for your environment) to get access to it.

Canaries

mpmc_testing comes with a few "canary" tests which are intended to always fail. These are there as checks on run_tests.py itself and so are not ran by default. To use them, supply canaries as an argument to the script.

Testing All MPMC Commits

(Only tested on USF's CIRCE Cluster; please edit test_all_commits.sh to make sure it works on your environment.) The provided script (test_all_commits.sh) runs the test suite on the MPMC commits in a file, mpmc_commits.txt. To generate this file, cd into your local MPMC install, and then:

git rev-list master > mpmc_commits.txt

We recommend copying test_all_commits.sh and mpmc_commits.txt into your home directory, and then running bash test_all_commits.sh. This will execute two git clones and run the entire test suite for each MPMC commit; expect it to take some time.