[CP2K-user] Help of Installation with LibXC
Frederick Stein
nwfr... at googlemail.com
Mon May 25 06:44:08 UTC 2020
Dear Justin,
You have properly defined the __LIBXC flag but it seems it is undefined for
the preprocessor. I wonder whether other libraries are affected as well. If
you haven't executed it yet, could you run the regtest suite (make
ARCH=<your-arch-file> VERSION=popt test)? Especially the Hartree-Fock tests
are interesting to me because they are using the Libint library.
I could properly compile CP2K 6.1 with your arch file and everything worked
fine to me.
Something different: Do you have to stuck to CP2K 6.1? There is already a
release CP2K 7.1.
Best,
Frederick
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