[CP2K-user] [CP2K:20962] Running CP2K Regression Tests

[Umar Yahaya]

All the tests were done successfully now.
Thank you very much.

Best regards.
Umar



On Tue, Dec 10, 2024 at 9:48 PM Krack Matthias <matthias.krack at psi.ch>
wrote:

> Hi Umar
>
>
>
> It seems that you have built a cp2k.psmp version with
>
>
>
> make -j 4 ARCH=local VERSION=psmp
>
>
>
> and thus the full CP2K regression test can be run in the same folder with
>
>
>
> make -j 4 ARCH=local VERSION=psmp test
>
>
>
> or a part of it with (only the test inputs in the folder ATOM/regtest-1)
>
>
>
> make -j 4 ARCH=local VERSION=psmp TESTOPTS=”--restrictdir ATOM/regtest-1”
> test
>
>
>
> 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 15:37
> *To: *"cp2k at googlegroups.com" <cp2k at googlegroups.com>
> *Subject: *Re: [CP2K:20960] Running CP2K Regression Tests
>
>
>
> Hi Matthias,
>
>
>
> Thank you for the quick response.
>
> Below is what prompted after running the "make" command in the root
> directory of the code.
>
>
>
> make -j 4 ARCH=Linux-x86_64 VERSION=mycp ATOM
> Discovering programs ...
> make: *** No rule to make target 'ATOM'.  Stop.
>
>
>
> Note: mycpy is an alias of
> /home/umar/Downloads/cp2k-2024.2/exe/local/cp2k.psmp and ATOM, from what I
> understand, means the test to be  conducted.
>
>
>
> Best regards,
>
> Umar
>
>
>
> On Tue, Dec 10, 2024 at 9:08 PM Krack Matthias <matthias.krack at psi.ch>
> wrote:
>
> 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
>
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