Gromacs

Regression Tests

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    Version as of 03:45, 21 Nov 2019

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    The Gromacs regression tests are mainted on gerrit. They can be obtained by

    git clone https://gerrit.gromacs.org/regressiontests

    or  for developers:

    git clone ssh://user@gerrit.gromacs.org:29418/gromacs

    To add new tests

    1. Create a new folder inside e.g. complex
    2. Create inside your test folder grompp.mdp, conf.gro and topol.top (and itp files if your topol.top requires those)
    3. Run gmxtest.pl both in single and double precision to create reference values
    4. Upload tests to gerrit

    An example commit which adds tests is here.

    Jenkins automatically runs all tests for all build configurations. The regressiontests results are show on the Jenkins page under "Test" and a test report looks like this.

    Jenkins also automatically computes the code coverage. This is currently only done when the regressiontests are modifified not when the tests are modified. The code coverage of the regressiontests for the 4.5 source is here and for the regressiontests and the unit tests together for the master branch source is here.

    Page last modified 20:12, 10 May 2012 by rolandschulz