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

Samir ABDELOUAHED abdeloua... at gmail.com
Sat Apr 24 01:38:56 UTC 2021


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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