[QE-users] Compilation error of QE develop version

[Jibiao Li]

Hi, All
I tried to compile QE develop version+ LibXC 5.0.0 with intel fortran compiler 2020 on my computer (52cores) by specifying the following parameters:

DFLAGS         =  -D__LIBXC -D__DFTI -D__MPI -Duse_beef
LD_LIBS        = -L/home/yons/codes/libxc-5.0.0/lib -lxcf90 -lxc



However, the compilation gave the following error:



mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__LIBXC -D__DFTI -D__MPI -Duse_beef   -I/home/yons/codes/espresso-develop//include -I/home/yons/codes/espresso-develop//FoX/finclude -I/home/yons/codes/espresso-develop//S3DE/iotk/include/ -I/home/yons/intel/compilers_and_libraries_2020.1.217/linux/mkl/include -I/home/yons/codes/espresso-develop//iotk/src -I/home/yons/codes/espresso-develop//upflib -I/home/yons/codes/espresso-develop//Modules -I/home/yons/codes/espresso-develop//FFTXlib -I/home/yons/codes/espresso-develop//LAXlib -I/home/yons/codes/espresso-develop//UtilXlib -I/home/yons/codes/espresso-develop//FoX/finclude -I../ELPA/src -c funct.f90
funct.f90(414): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [XC_F03_LIB_M]
    USE xc_f03_lib_m
--------^
funct.f90(426): error #6457: This derived type name has not been declared.   [XC_F03_FUNC_T]
    TYPE(xc_f03_func_t) :: xc_func03
---------^
funct.f90(427): error #6457: This derived type name has not been declared.   [XC_F03_FUNC_INFO_T]
    TYPE(xc_f03_func_info_t) :: xc_info03
---------^
funct.f90(776): error #6404: This name does not have a type, and must have an explicit type.   [XC_FUNC03]
        CALL xc_f03_func_init( xc_func03, id_vec(ii), 1 )
-------------------------------^
funct.f90(777): error #6404: This name does not have a type, and must have an explicit type.   [XC_INFO03]
        xc_info03 = xc_f03_func_get_info(xc_func03)
--------^
funct.f90(777): error #6404: This name does not have a type, and must have an explicit type.   [XC_F03_FUNC_GET_INFO]
        xc_info03 = xc_f03_func_get_info(xc_func03)
--------------------^
funct.f90(778): error #6404: This name does not have a type, and must have an explicit type.   [XC_F03_FUNC_INFO_GET_N_EXT_PARAMS]
        n_ext_params = n_ext_params + xc_f03_func_info_get_n_ext_params(xc_info03)
--------------------------------------^
compilation aborted for funct.f90 (code 1)
../make.inc:16: recipe for target 'funct.o' failed
make[1]: *** [funct.o] Error 1
make[1]: 离开目录“/home/yons/codes/espresso-develop/Modules”
Makefile:193: recipe for target 'mods' failed
make: *** [mods] Error 1


Any idea to resolve this problem? Need your help



Dr. Jibiao Li, 
Department of Material Science and Engineering
Yangtze Normal University
Juxian Dadao 16#, Fuling, Chongqing, China
Email: jibiaoli at yznu.edu.cn, jibiaoli at foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
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