Hi I installed Wien2k_23.2 using gfortran on Ubuntu 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*WIEN2k 23.2 Install with gfortran*/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
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