Dear Prof. Blaha,
Yes, indeed the settings of fftw was not correct. Now,
it has been corrected & wien2k has been installed successfully. Thanking
you,
with regards
On Sun, 5 May 2024 at 00:51, Peter Blaha <peter.bl...@tuwien.ac.at> wrote:
> 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
> >
> > _______________________________________________
> > Wien mailing list
> > Wien@zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300
> Email: peter.bl...@tuwien.ac.at WIEN2k: http://www.wien2k.at
> WWW: http://www.imc.tuwien.ac.at
> -------------------------------------------------------------------------
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--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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