[QE-users] Installing QE 670 on AMD EPYC

[Chandan Kumar Choudhury]

Hi Paolo,

Thank you for your suggestion.
Setting FFTW_INCLUDE to the location of fftw3.f03, shows following messages:

 
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/apps/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/apps/q-e-qe-6.7.0/FoX/finclude  -c fft_scalar.ESSL.f90
F90-W-0006-Input file empty (fft_scalar.ESSL.f90)
F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation completed with warnings
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/apps/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/apps/q-e-qe-6.7.0/FoX/finclude  -c fft_scalar.FFTW.f90
F90-W-0006-Input file empty (fft_scalar.FFTW.f90)
F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation completed with warnings
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/apps/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/apps/q-e-qe-6.7.0/FoX/finclude  -c fft_scalar.FFTW3.f90
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/apps/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/apps/q-e-qe-6.7.0/FoX/finclude  -c fft_scalar.SX6.f90
F90-W-0006-Input file empty (fft_scalar.SX6.f90)
F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation completed with warnings
...
...
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/apps/q-e-qe-6.7.0/include -I/home/chandan_prescience_in/apps/q-e-qe-6.7.0/FoX/finclude -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/apps/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

Any suggestions to overcome this one?

Thank you!
--
Chandan Kumar Choudhury, PhD
Post Doctoral Fellow
Prof. O. Kuksenok
Sirrine Hall
Materials Science and Engineering 
Clemson University
Clemson, SC 29634

> On Mar 11, 2021, at 2:17 PM, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 
> On Thu, Mar 11, 2021 at 8:54 AM Chandan Kumar Choudhury <ckchoud at g.clemson.edu <mailto:ckchoud at g.clemson.edu>> wrote:
>  
> F90-F-0906-Can't find include file fftw3.f03 (fft_scalar.FFTW3.f90: 40)
> F90/x86-64 Linux Flang - 1.5 2017-05-01: compilation aborted
> 
> locate file fftw3.f03 in your software, set FFTW_INCLUDE accordingly, or copy the file into the include/ directory
> 
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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