[CP2K-user] [CP2K:12490] regtest cannot find libint, libxc, fftw3

[Jerry Tanoury]

Hi Tiziano,
I have attached the output from make (make.out) and regtest (test.out).  I 
built the most recent development version from git, using Intel 2019.3 
compilers and MKLs. When I `<my-cp2k-executable> --version`, the terminal 
hangs and nothing is printed.  When I do this with v5.1 (built with Intel 
2017 update 5 and corresponding MKLs), I get the expected output: 

CP2K version 5.1
 SVN source code revision svn:18091
 cp2kflags: libint fftw3 libxc parallel mpi3 scalapack xsmm 
libderiv_max_am1=6 libint_max_am=7


Thank you for the help,
Jerry

On Wednesday, November 13, 2019 at 9:07:29 AM UTC-5, Tiziano Müller wrote:
>
> 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 
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