[CP2K-user] [CP2K:20958] Running CP2K Regression Tests

[Umar Yahaya]

Dear CP2K Users,

I installed the cp2k-2024.2 version and now I am trying to do some
regression tests but I am not sure how to go about it.

Am I to navigate to the cp2k/tests directory for the test or do I have
to copy the whole directory somewhere in my system? I can see many files
together with  do_regtest.py in that folder.

When I run "python do_regtest.py -h" from my terminal  in that directory
this prompt:
/Downloads/cp2k-2024.2/tests$ python do_regtest.py -h
usage: do_regtest.py [-h] [--mpiranks MPIRANKS] [--ompthreads OMPTHREADS]
                     [--maxtasks MAXTASKS] [--num_gpus NUM_GPUS]
                     [--timeout TIMEOUT] [--maxerrors MAXERRORS]
                     [--mpiexec MPIEXEC] [--smoketest] [--valgrind]
                     [--keepalive] [--flagslow] [--debug]
                     [--restrictdir RESTRICTDIR] [--skipdir SKIPDIR]
                     [--workbasedir WORKBASEDIR] [--skip_unittests]
                     [--skip_regtests]
                     arch version


I do not understand how to run the tests on the cp2k website.

Thank you in anticipating your guidance.
Umar

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