[Wien] Compile linking errors

[Peter Blaha]

Hi,

As I said before: It seems you copied whole lines from Gavins document 
when configuring siteconfig.

This document contains the full output shown on a screen, but you must 
copy only the "input", not the comments or description (the full line).

Example: You show a line like:

make ./lapw0 FORT=gfortran FFLAGS=' Compiler options=-ffree-form -O2 
-ftree-vectorize -march=native -ffree-line-length-none 
-ffpe-summary=none -fallow-argument-mismatch -DLIBXC 
-I/home/victor/libxc-6.1.0/include -DFFTW3 
-I/home/victor/fftw-3.3.10/include -fopenmp'


but it should look like (I had no libxc in this gfortran installation):

make ./lapw0 FORT=gfortran FFLAGS=' -ffree-form -O2 -ftree-vectorize 
-march=native -ffree-line-length-none -ffpe-summary=none  -DFFTW3 
-I/usr/include  -fopenmp'

So the   "Compiler options="  should of course not be there (It was in 
Gavis file as this is printed by siteconfig on the screen, but obviously 
it is not part of the options....


I suggest you start over in a fresh directory, use the defaults and only 
adjust libxc, fftw,...


Am 12.06.2023 um 12:20 schrieb Victor Zenou:
>
> Compile linking errors_12062023
>
> Sorry for my mistake. Here it is again.
>
> I installed Wien2k_23.2 using gfortran onUbuntu 22.04.2 LTS, using 
> gavin’s "*WIEN2k 23.2 Install with gfortran"**.*
>
> When I checked file compile.msg in the corresponding SRC_* directory , 
> I saw that few of them had linking errors. For instance:
>
>
> SRC_lapw0:
>
> rm -f *.o *_tmp_.* *.P .sequential .parallel *.mod
>
> if [ -f .parallel ]; then \
>
> rm -f .parallel modules.o libxc_mod.o W2kinit.o fft_modules.o 
> reallocate.o energy.o finl_elect_str.o getff1.o getfft.o gtfnam.o 
> lapw0.o outerr.o rean_direct_fft.o rean0.o rean3.o rean4.o setff1.o 
> setff2.o setfft.o stress_gga.o xcpot1.o xcpot1Q.o xcpot3.o eramps.o 
> inputpars.o *.mod; \
>
> fi
>
> touch .sequential
>
> make ./lapw0 FORT=gfortran FFLAGS=' Compiler options=-ffree-form -O2 
> -ftree-vectorize -march=native -ffree-line-length-none 
> -ffpe-summary=none -fallow-argument-mismatch -DLIBXC 
> -I/home/victor/libxc-6.1.0/include -DFFTW3 
> -I/home/victor/fftw-3.3.10/include -fopenmp'
>
> make[1]: Entering directory '/home/victor/WIEN2k23.1/SRC_lapw0'
>
> gfortran Compiler options=-ffree-form -O2 -ftree-vectorize 
> -march=native -ffree-line-length-none -ffpe-summary=none 
> -fallow-argument-mismatch -DLIBXC -I/home/victor/libxc-6.1.0/include 
> -DFFTW3 -I/home/victor/fftw-3.3.10/include -fopenmp -c cputim.f
>
> gfortran: warning: Compiler: linker input file unused because linking 
> not done
>
> gfortran: error: Compiler: linker input file not found: No such file 
> or directory
>
> gfortran: warning: options=-ffree-form: linker input file unused 
> because linking not done
>
> gfortran: error: options=-ffree-form: linker input file not found: No 
> such file or directory
>
> make[1]: *** [Makefile:174: cputim.o] Error 1
>
> make[1]: Leaving directory '/home/victor/WIEN2k23.1/SRC_lapw0'
>
> make: *** [Makefile:125: seq] Error 2
>
> make: *** No rule to make target 'complex'. Stop.
>
>
>
>
> SRC_nn:
>
> rm -f struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o 
> bvan.o angles.o convert_to_cart.o struk.P variable_fields.P nn.P 
> dirlat.P ord2.P reduce_alloc.P bvan.P angles.P convert_to_cart.P 
> nn.prj dirlat.prj ord2.prj reduce_alloc.prj bvan.prj angles.prj 
> convert_to_cart.prj struk.prj variable_fields.prj \
>
> nn.xref *.mod
>
> gfortran Compiler options=-ffree-form -O2 -ftree-vectorize 
> -march=native -ffree-line-length-none -ffpe-summary=none 
> -fallow-argument-mismatch -c struk.f
>
> gfortran: warning: Compiler: linker input file unused because linking 
> not done
>
> gfortran: error: Compiler: linker input file not found: No such file 
> or directory
>
> gfortran: warning: options=-ffree-form: linker input file unused 
> because linking not done
>
> gfortran: error: options=-ffree-form: linker input file not found: No 
> such file or directory
>
> make: *** [Makefile:108: struk.o] Error 1
>
>
>
>
>
>
>
> WIEN2k was installed in /root/WIEN2k23.1/
> compiler: gfortran
> c compiler: gcc
>
> Parallel compiler, fortran and c: mpifort, mpicc
>
>
>
> Best Regards,
>
> Victor Zenou
>
> Wien2k user
>
>
>
>
> ‫בתאריך יום ב׳, 12 ביוני 2023 ב-12:09 מאת ‪Victor Zenou‬‏ 
> <‪zanov at post.bgu.ac.il‬‏>:‬
>
>     WIEN2k 23.2 Install with gfortran:
>
>     https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf
>
>     ‫בתאריך יום ב׳, 12 ביוני 2023 ב-12:03 מאת ‪Peter Blaha‬‏
>     <‪peter.blaha at tuwien.ac.at‬‏>:‬
>
>         You must have made a stupid   copy/paste error  ??
>         Or you mixed comments with actual input options.
>
>         As I said before, siteconfig should work "out of the box" when
>         all
>         prerequisites are met, with the default options  except the
>         fftw-specific places (and maybe the openblas place).
>
>         What should that be:
>
>         gfortran Compiler options=-ffree-form -O2 -ftree-vectorize
>         -march=native
>         -ffree-line-length-none -ffpe-summary=none
>         -fallow-argument-mismatch
>         -DLIBXC -I/home/victor/libxc-6.1.0/include -DFFTW3
>         -I/homeWIEN2k 23.2
>         Install with gfortran/victor/fftw-3.3.10/include -fopenmp -c
>         cputim.f
>
>         where does this:    "/homeWIEN2k 23.2 Install with gfortran" 
>          come from ?
>
>
>         Am 6/12/23 um 10:51 schrieb Victor Zenou:
>         > gfortran Compiler options=-ffree-form -O2 -ftree-vectorize
>         -march=native
>         > -ffree-line-length-none -ffpe-summary=none
>         -fallow-argument-mismatch
>         > -DLIBXC -I/home/victor/libxc-6.1.0/include -DFFTW3
>         -I/home*WIEN2k 23.2
>         > Install with gfortran*/victor/fftw-3.3.10/include -fopenmp
>         -c cputim.f
>         >
>
>         -- 
>         Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>         Phone: +43-1-58801-165300          Email: peter.blaha at tuwien.ac.at
>         WWW: http://www.imc.tuwien.ac     WIEN2k: http://www.wien2k.at
>         _______________________________________________
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>
>
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-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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