23.2 Running the tests

Starting a single test example is simple. Change to the test example of your choice and call the TTEST script without arguments. The test is started in a subdirectory named TESTDIR.sysname, where sysname is the current platform name as returned by the Sysname script. The tested executable, a short description, and the test summary are output to the screen. Detailed information about the performed commands and results of all test criteria are found in the TESTPROTOKOLL file in the test subdirectory.

The default location for the binaries and scripts used for testing is the $TURBODIR directory. If you like to test some other, e.g., your local version of the TURBOMOLE binaries or scripts, you can specify the loading paths by the -l or -ls options for the binaries and scripts, respectively,

     TTEST -l /usr/local/TURBOMOLE/bin/i786-pc-linux-gnu \  
        -ls /usr/local/TURBOMOLE/scripts.  

A specific executable can be chosen by the -x option,

TTEST -x /usr/local/TURBOMOLE/bin/i786-pc-linux-gnu/dscf.

If a test output is already present, e.g., in the TESTDIR directory, you may wish to check the results. This is accomplished by calling TTEST in check mode,


which compares the results in TESTDIR with the reference and writes the results to the CHECKPROTOKOLL file in the test directory.

Testing parts of the TURBOTEST directory structure or the entire test suite at once is performed by calling the TTEST script from the appropriate place. The test script works recursively, executing all test examples underneath its starting directory. This requires that the test examples be arranged in a TURBOTEST-like directory structure,

progname/short|long/example  (e.g., dscf/short/H2O.SCF.E1),

and the TURBOTEST directory contain a DEFCRIT file with general test suite settings. If TTEST is started in the central TURBOTEST without any options, all available test examples are executed. By giving the list of module names (for full list, check TTEST –help) as argument to the script, the test can be restricted to these modules. The –short and –long options allow the user to select only the short or long test examples, respectively. Some examples of usage are given in the following table:

TTEST dscf

called in the TURBOTEST directory, performs only the tests for DSCF module.


called in the TURBOTEST/dscf directory, does the same.

TTEST –long

executes long examples for all modules.

TTEST ridft –short

performs all short examples from the ridft directory.

Recursive testing creates some additional files in the central TURBOTEST directory. The global protocol file TESTPROTOKOLL.sysname contains short result messages for all test and a list of errors occurred. The list of failed tests is also written to the PROBLEMS.sysname file and can be rerun by calling the test script with the -r option,

TTEST -r PROBLEMS.i786-pc-linux-gnu.

The -r may also be useful to create any user-defined selection of test examples. The full list of available examples is obtained by the TTEST –list command.

Once you are done with testing, you may wish to clean up afterwards. To do it, use the –clean and –realclean options of the TTEST script. The difference between these two is that TTEST –clean deletes only the test directories and protocols that were created for the current computer architecture as returned by Sysname. In contrast, the TTEST –realclean wipes out all test directories and protocols that get in its way.