[CP2K-user] cp2k + libxc-5.0.0
Luca
luca.... at gmail.com
Sat May 2 17:23:10 UTC 2020
Dear Developers
I am trying to install CP2K wìth the latest libxc library (5.0.0), which
contains many new functionals.
Unfortunately, I get the following error:
--------------------------------------------------------------------------------------------
s_2018.5.274/linux/mkl/include/fftw -O2 -fopenmp -fpp -free -heap-arrays 64
-I/home/ /LIBS/INTEL/18/install/libxc500/include
-I/home/LIBS/INTEL/18/install/libint260-lmax6/include
-D__COMPILE_ARCH="\"Linux-ia64-intel18_ld_lxc500_lbnt260\""
-D__COMPILE_DATE="\"sab 2 mag 2020, 18.07.34, CEST\""
-D__COMPILE_HOST="\"ngrowth1\"" -D__COMPILE_REVISION="\"git:3988e81\""
-D__DATA_DIR="\"/home/ /CODES/INTEL/18/build/cp2k/data\""
-D__SHORT_FILE__="\"domain_submatrix_methods.F\""
-I'/home//CODES/INTEL/18/build/cp2k/src/'
-I'/home/CODES/INTEL/18/build/cp2k/obj/Linux-ia64-intel18_ld_lxc500_lbnt260/psmp/exts/dbcsr'
domain_submatrix_methods.F90
/home/CODES/INTEL/18/build/cp2k/src/xc/xc_libxc_wrap.F(32): error #7002:
Error in opening the compiled module file. Check INCLUDE paths.
[XC_F03_LIB_M]
USE xc_f03_lib_m, ONLY: xc_f03_func_end, &
-------^
/home/CODES/INTEL/18/build/cp2k/src/xc/xc_libxc_wrap.F(137): error #6457:
This derived type name has not been declared. [XC_F03_FUNC_INFO_T]
TYPE(xc_f03_func_info_t), INTENT(IN) :: xc_info
----------------------------------------------------------------------------------
I checked the include path and I gave to cp2k the correct one.
Is there a new flag to add to the arch file?
Could you please help me with fixing the error?
Best Regards.
Luca
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