[CP2K-user] [CP2K:20959] Running CP2K Regression Tests

[Krack Matthias]

Hi Umar

Just try to run the make command again with the target name “test” appended, e.g.

make -j16 ARCH=<arch name> VERSION=psmp  test

(see https://www.cp2k.org/dev:regtesting)

Best

Matthias

From: "cp2k at googlegroups.com" <cp2k at googlegroups.com> on behalf of Umar Yahaya <umaryahaya996 at gmail.com>
Reply to: "cp2k at googlegroups.com" <cp2k at googlegroups.com>
Date: Tuesday, 10 December 2024 at 14:54
To: "cp2k at googlegroups.com" <cp2k at googlegroups.com>
Subject: [CP2K:20958] Running CP2K Regression Tests

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
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/CAHN%2BkCQ2mbj5uPsFbPuRq1DF28Z%2BPiKr0KyyHLUsFOE-uX77Kw%40mail.gmail.com<https://groups.google.com/d/msgid/cp2k/CAHN%2BkCQ2mbj5uPsFbPuRq1DF28Z%2BPiKr0KyyHLUsFOE-uX77Kw%40mail.gmail.com?utm_medium=email&utm_source=footer>.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/ADC30FBB-7BE4-4981-AC8D-FF48A9443222%40psi.ch.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241210/2e304f08/attachment-0001.htm>