[Wien] System configuration

[Gavin Abo]

As the error message says, the libxc library was compiled with a 
different compiler.  Perhaps you compiled it with gfortran 
(FC=gfortran).  Recompile it with ifort [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17716.html 
].

WIEN2k versions after 17 can use the 4.x version of libxc [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16924.html 
].  I haven't tried the latest released 4.3.4.  If issues are 
encountered compiling WIEN2k with it, fallback on an earlier 4.x version 
[ https://tddft.org/programs/libxc/download/previous/ ].

It also says that it cannot find FFTW3 mpi. The fftw3 operating system 
package (such as installed by apt or yum) usually only works for 
gfortran and non-mpi.  The FFTW  can be downloaded [ 
http://www.fftw.org/download.html ] and ifort compiled with --enable-mpi 
[ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16746.html 
].


On 5/25/2019 2:55 AM, Indranil mal wrote:
> ...
> I got the error
>
> SRC_lapw0/compile.msg:inputpars.F(6): error #7013: This module file 
> was not generated by any release of this compiler.   [XC_F03_LIB_M]
> SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived type 
> name has not been declared.   [XC_F03_FUNC_T]
> ...
> SRC_lapw0/compile.msg:/tmp/ifort1JKsyy.i(862): catastrophic error: Too 
> many errors, exiting
>
> SRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1
> SRC_lapw0/compile.msg:make: *** [para] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1
> SRC_lapw2/compile.msg:make: *** [rp] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
> SRC_lapw2/compile.msg:make: *** [cp] Error 2
> SRC_nlvdw/compile.msg:fft_modules.F(69): error #5102: Cannot open 
> include file 'fftw3-mpi.f03'
> SRC_nlvdw/compile.msg:fft_modules.F(86): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_MPI_LOCAL_SIZE_3D]
> SRC_nlvdw/compile.msg:fft_modules.F(89): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_ALLOC_COMPLEX]
> SRC_nlvdw/compile.msg:fft_modules.F(120): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_FORWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(121): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_ESTIMATE]
> SRC_nlvdw/compile.msg:fft_modules.F(117): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_MPI_PLAN_DFT_3D]
> SRC_nlvdw/compile.msg:fft_modules.F(125): error #6404: This name does 
> not have a type, and must have an explicit type. [FFTW_BACKWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(133): error #6601: In a CASE 
> statement, the case-value must be a constant expression. [FFTW_FORWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(133): error #6612: In a CASE 
> statement, the case-value must be of type INTEGER, CHARACTER, or 
> LOGICAL.   [FFTW_FORWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(133): error #6611: The case-value 
> must be of the same type as the case-expr. [FFTW_FORWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(135): error #6601: In a CASE 
> statement, the case-value must be a constant expression. [FFTW_BACKWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(135): error #6612: In a CASE 
> statement, the case-value must be of type INTEGER, CHARACTER, or 
> LOGICAL.   [FFTW_BACKWARD]
> SRC_nlvdw/compile.msg:fft_modules.F(135): error #6611: The case-value 
> must be of the same type as the case-expr. [FFTW_BACKWARD]
> SRC_nlvdw/compile.msg:make[1]: *** [fft_modules.o] Error 1
> SRC_nlvdw/compile.msg:make: *** [para] Error 2
> SRC_nmr/compile.msg:make[1]: *** [nmr_mpi] Error 1
> SRC_nmr/compile.msg:make: *** [rp] Error 2
> SRC_nmr/compile.msg:make[1]: *** [nmrc_mpi] Error 1
> SRC_nmr/compile.msg:make: *** [cp] Error 2
>
> please help
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