[CP2K-user] installation problem cp2k-8.1 with libxc-5.1.3

[Frederick Stein]

Dear Samir,

CP2K 8.1 does not work with LibXC 5.1.3 because of the interface problem in 
xc_libxc.F you have found. In the trunk, it has been fixed. That means if 
you have to stick to CP2K 8.1, you cannot use LibXC 5.x. If you definitely 
need functionality from LibXC 5.x, download and compile the trunk version 
(master branch) of LibXC or wait for the next CP2K release.

Best,
Frederick

abde... at gmail.com schrieb am Samstag, 24. April 2021 um 03:38:56 UTC+2:

> Hello every one,
> I am compiling cp2k-8.1 with libxc-5.1.3. but when it comes to link with 
> the libxc it crash with: 
> /home/samir/CP2K/cp2k-8.1/src/xc/xc_libxc.F:1648:66:
>
>  1648 |                   CALL xc_f03_lda_exc(xc_func, 1, rhov(1, 1), exc)
>       |                                                                  1
> Error: Type mismatch in argument ‘np’ at (1); passed INTEGER(4) to 
> INTEGER(8)
> /home/samir/CP2K/cp2k-8.1/src/xc/xc_libxc.F:1661:73:
>
>  1661 |                   CALL xc_f03_lda_vxc(xc_func, 1, rhov(1, 1), 
> vrho(1, 1))
>       
> |                                                                         1
> I tried changing npoints integer to integer(8) in xc_libxc.F but still 
> have the same problem.
>
> I don't know whether the problem comes from the xc_libxc.F cp2k-8.1 
> program or the libxc-5.1.3 programs.
> I did not have such a problem when I was using cp2k-6.1 with libxc-4....
> I am using mpif90 (gfortran wrapper)
> Many many thanks,
> Samir
>
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