23.4 Modes and options of the TTEST script

The TTEST script knows several operation modes: "run", "check", "list", "clean", "realclean", and "validate", controlled by its options. The "run" mode is default and means that the test calculations are performed and the results are written to the TESTPROTOKOLL file. The "check" mode differs only in that the programs are not executed, but the existing program output is checked against the reference. The results of the check are written to the CHECKPROTOKOLL file. Calling the test script in the "list" mode simply lists the test examples that are currently available. This allows the user to save the full list to file, edit, and re-use it with the -r option. The "clean" and "realclean" options are for cleaning up the test directories and protocols. Finally, the "validate" mode is mainly of use for writing the CRIT files. It helps to verify the match patterns provided in the test criteria and shows if it extracts the expected data for comparison with the reference. For every output file used for testing, the "validate" option produces a copy with an additional .val extension. The match strings evaluated for test criteria are highlighted in the output by < and > marks.

There is a lot of options controlling the behavior of TTESTṪesting specific versions of TURBOMOLE modules is provided by loading path options, -l for binaries, -ls for scripts, and -x for a specific executable. For benchmarking, you need the –timings option to produce the timing summaries, and the –newref option to save the current program timings as the new reference. The module specifications and –short, –long, and -r options can be used for selecting the test examples. The more specialized options are summarized in the following table. Note that most of these options can also be set in the DEFCRIT file (see below).

Operation modes

Prints out the help message and exits.




Lists the available test examples.


Deletes the test directories and summary files for the current architecture (given by SYSNAME, see Chapter 1.5).


Deletes all test directories and protocols.

–check dir

Checks the correctness of an existing program test in the directory dir (default: TESTDIR.sysname). Useful if new criteria or new references are established.

–validate dir

Examines the output files in the directory dir

-val dir

(default: TESTDIR.sysname) and highlights the positions of the retrieved matches.

Loading path and naming options
–loaddir dir

Loading path for the TURBOMOLE binaries

-l dir

(default: $TURBODIR/bin/sysname).

–scriptdir dir

Loading path for the TURBOMOLE scripts

-ls dir

(default: $TURBODIR/scripts).

–testprog prog

Tests the given executable prog.

-x prog

–dir dir

Name for the local test directory

(default: TESTDIR.sysname).

–critfile file

Name for the local criteria file

(default: CRIT).

–defcritfile file

Name for the test suite settings file

(default: DEFCRIT).

–protfile file

Name for the local protocol file

–output file


–gprotfile file

Name for the global protocol file

(default: TESTPROTOKOLL.sysname).

–checkfile file

Name for the check protocol file


–errfile file

Name for the local error output file

(default: output.err).

–probfile file

Name for the failed tests list

(default: PROBLEMS.sysname).

–timfile file

Name for the timings file

(default: TIMINGS.sysname).

–valfile file

Name for the validation file for ’run’

criteria (default: RUNCRIT.val).

Execution options

Only short / long subdirectories of the


test suite will be tested (default: –short –long).

–restart file

The list of test examples for execution will

-r file

be read in from file

(default: PROBLEMS.sysname).

–newref string

Produces new reference timings and writes them to the CRIT file. A short description of the reference platform is provided by string.


Produces new reference files.


Running in batch mode, no screen output.


Stops / Does not stop after the first error.


(default: –noerrorstop).


Writes / Does not write the timings on file for


further processing. (default: –notimings).


Sets the conditions under which the test is run


(default: "sequential, parallel")