[CP2K-user] [CP2K:12490] regtest cannot find libint, libxc, fftw3
Tiziano Müller
tiziano... at chem.uzh.ch
Wed Nov 13 14:07:25 UTC 2019
Hi Jerry,
the regtest-script checks the capabilities of CP2K by evaluating the
output of `<your-cp2k-executable> --version`. Guessing from your arch/
file your CP2K should be using fftw/libint/libxc, but you might want to
check it manually.
Please remove the `-nosvn` as indicated by the warning.
Sharing the full build/test log might give us some more insight.
Best regards,
Tiziano
On 12.11.19 22:35, Jerry Tanoury wrote:
> Dear Forum,
> I have run into a problem with regtest when testing a dev version of
> 7.x. I built the code using the attached arch file and it proceeded
> without error. However, when I run regtest ('tools/regtest/do_regtest
> -arch intel -version popt -nosvn -maxtasks 4'), the initial output
> indicates that numerous tests are not being run because of missing
> dependencies: libint, libxc, fftw3. I'm not sure if this is a
> permissions issue with the executable (checking with my HPC admin on
> this), or it is something else.
>
> Any help is very much appreciated.
>
> Best regards,
> Jerry
>
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--
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich
Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch
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