[Wien] Installation of Wien2k_23.2

[Peter Blaha]

Look into SRC_3ddens/compile.msg   for more details.

Since all these programs use fftw, I'd expect that your fftw settings 
are not correct or the library has been compiled with ifort, ...


Am 04.05.2024 um 20:31 schrieb shamik chakrabarti:
> Dear Wien2k users,
> 
>                      While installing Wien2k -23 2 in Ubantu 22.04.4 
> LTS, I got the following error
> 
> Compile time errors (if any) were:
> SRC_3ddens/compile.msg:collect2: error: ld returned 1 exit status
> SRC_3ddens/compile.msg:make: *** [Makefile:65: 3ddens] Error 1
> SRC_hf/compile.msg:collect2: error: ld returned 1 exit status
> SRC_hf/compile.msg:make[1]: *** [Makefile:199: hf] Error 1
> SRC_hf/compile.msg:make: *** [Makefile:181: real] Error 2
> SRC_hf/compile.msg:collect2: error: ld returned 1 exit status
> SRC_hf/compile.msg:make[1]: *** [Makefile:202: hfc] Error 1
> SRC_hf/compile.msg:make: *** [Makefile:185: complex] Error 2
> SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw0/compile.msg:make[1]: *** [Makefile:136: lapw0] Error 1
> SRC_lapw0/compile.msg:make: *** [Makefile:125: seq] Error 2
> SRC_lapw2/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw2/compile.msg:make[1]: *** [Makefile:187: lapw2] Error 1
> SRC_lapw2/compile.msg:make: *** [Makefile:169: real] Error 2
> SRC_lapw2/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw2/compile.msg:make[1]: *** [Makefile:190: lapw2c] Error 1
> SRC_lapw2/compile.msg:make: *** [Makefile:173: complex] Error 2
> SRC_nlvdw/compile.msg:collect2: error: ld returned 1 exit status
> SRC_nlvdw/compile.msg:make[1]: *** [Makefile:119: nlvdw] Error 1
> SRC_nlvdw/compile.msg:make: *** [Makefile:110: seq] Error 2
> SRC_nmr/compile.msg:collect2: error: ld returned 1 exit status
> SRC_nmr/compile.msg:make[1]: *** [Makefile:181: nmr] Error 1
> SRC_nmr/compile.msg:make: *** [Makefile:163: real] Error 2
> SRC_nmr/compile.msg:collect2: error: ld returned 1 exit status
> SRC_nmr/compile.msg:make[1]: *** [Makefile:184: nmrc] Error 1
> SRC_nmr/compile.msg:make: *** [Makefile:167: complex] Error 2
> 
> The Options are
> 
> Current settings:
>    M   OpenMP switch:           -fopenmp
>    O   Compiler options:        -ffree-form -O2 -ftree-vectorize 
> -march=native -ffree-line-length-none -ffpe-summary=none
>    L   Linker Flags:            $(FOPT) -L../SRC_lib
>    P   Preprocessor flags       '-DParallel'
>    R   R_LIBS (LAPACK+BLAS):    -L/home/shamik/OpenBLAS-0.3.26 
> -lopenblas -lpthread
>    F   FFTW options:            -DFFTW3 -I/home/shamik/fftw-3.3.10/include
>        FFTW-LIBS:               -L/home/shamik/fftw-3.3.10/lib -lfftw-3.3.10
>    X   LIBX options:            -DLIBXC -I/home/shamik/libxc-6.2.2/include
>        LIBXC-LIBS:              -L/home/shamik/libxc-6.2.2/lib -lxcf03 -lxc
> 
> Please suggest.
> 
> 
> 
> 
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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