Hi Pietro, This did help. I guess I am getting closer!! I could proceed further, but still got some error. Can you please suggest a workaround? I have compiled FFTW, openmpi, and QE with CC=clang, CPP=clang-cpp CXX=clang++ and F90=flang.
pwscf.o libpw.a ../../Modules/libqemod.a ../../KS_Solvers/libks_solvers.a ../../upflib/libupf.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../../UtilXlib/libutil.a ../../dft-d3/libdftd3qe.a /home/chandan_prescience_in/softwares/q-e-qe-6.7.0//clib/clib.a /home/chandan_prescience_in/softwares/q-e-qe-6.7.0//LIBBEEF/libbeef.a /home/chandan_prescience_in/apps/scalapack/libscalapack.a /home/chandan_prescience_in/apps/libFLAME/lib/libflame.a -L/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common -lFoX_utils -lFoX_fsys /home/chandan_prescience_in/apps/amd-fftw/double/lib/libfftw3.a /home/chandan_prescience_in/apps/blis/lib/libblis.a -L/home/chandan_prescience_in/apps/openmpi/410/lib ld.lld: error: undefined symbol: dfftw_cleanup_threads_ >>> referenced by fft_scalar.FFTW3.f90:148 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:301 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:447 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced 1 more times ld.lld: error: undefined symbol: fftw_init_threads >>> referenced by fft_scalar.FFTW3.f90:149 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:302 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:448 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced 1 more times ld.lld: error: undefined symbol: dfftw_plan_with_nthreads_ >>> referenced by fft_scalar.FFTW3.f90:150 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_1z_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:303 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cft_2xy_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced by fft_scalar.FFTW3.f90:449 >>> fft_scalar.FFTW3.o:(fft_scalar_fftw3_cfft3d_) in archive >>> ../../FFTXlib/libqefft.a >>> referenced 1 more times clang-11: error: linker command failed with exit code 1 (use -v to see invocation) make[2]: *** [Makefile:262: pw.x] Error 1 make[2]: Leaving directory '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/PW/src' make[1]: *** [Makefile:9: pw] Error 1 make[1]: Leaving directory '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/PW' make: *** [Makefile:66: pw] Error 1 Thank you! Chandan -- Chandan Kumar Choudhury, PhD Senior Scientist (Computational Science) Prescience.in > On Mar 11, 2021, at 8:52 PM, Pietro Delugas <pdelu...@sissa.it> wrote: > > Dear Chandan > > Fox is probably compiling using a different compiler. > > Check the make.inc file and see if F90 is set to the same compiler used by > mpif90 > The command > mpif90 --show > will tell you which compiler is used by mpif90 > set F90 to the same compiler do make clean and then make pw again. > > Removing mod files in never effective because tha make command does not check > them It check .o files only. > Do make clean. > > Pietro > > Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10 > > From: Chandan Kumar Choudhury <mailto:ckch...@g.clemson.edu> > Sent: Thursday, March 11, 2021 3:45 PM > To: Quantum ESPRESSO users Forum <mailto:users@lists.quantum-espresso.org> > Subject: Re: [QE-users] Installing QE 670 on AMD EPYC > > Thank you Paolo! > > > I did the following steps: > make pw > rm FoX/finclude/m_common_io.mod > make clean > make pw > > > make clean removes the FoX directory and it recreates when we do 'make pw’ > So, I still the same error > > mpif90 -O3 -g -fopenmp -cpp -fopenmp -D__FFTW3 -D__MPI -D__SCALAPACK > -I/home/chandan_prescience_in/apps/blis/include > -I/home/chandan_prescience_in/apps/libFLAME/include > -I/home/chandan_prescience_in/apps/amd-fftw/double/include > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/FoX/finclude > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/include > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//upflib > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//Modules > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FFTXlib > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//LAXlib > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//UtilXlib > -I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0//FoX/finclude > -I../ELPA/src -c fox_init_module.f90 > F90-F-0004-Corrupt or Old Module file > /home/chandan_prescience_in/softwares/q-e-qe-6.7.0/FoX/finclude/m_common_io.mod > (fox_init_module.f90: 4) > F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation aborted > make[1]: *** [../make.inc:16: fox_init_module.o] Error 1 > make[1]: Leaving directory > '/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/Modules' > make: *** [Makefile:179: mods] Error 1 > > > -- > Chandan Kumar Choudhury, PhD > Senior Scientist (Computational Science) > Prescience.in > > On Mar 11, 2021, at 7:40 PM, Paolo Giannozzi <p.gianno...@gmail.com > <mailto:p.gianno...@gmail.com>> wrote: > > rm FoX/include/delete m_commom_io.mod > Not enough? "make clean", then "make [what-you-need]" > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu > <http://www.max-centre.eu/>) > users mailing list users@lists.quantum-espresso.org > <mailto:users@lists.quantum-espresso.org> > https://lists.quantum-espresso.org/mailman/listinfo/users > <https://lists.quantum-espresso.org/mailman/listinfo/users>
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