[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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