[Wien] System configuration

[Indranil mal]

Sir, I am unable to compile libxc any 4.x ./configure FC= ifort CC=icc but
they can be easily compiled with the help of autoconfiguration ./ configure
with ifort and icc getting the following error
configure: error: in `/home/dps/libxc-4.1.1':
configure: error: C compiler cannot create executables
See `config.log' for more details

Also unable to install ELPA

On Sat, May 25, 2019 at 6:08 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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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