[Pw_forum] QE-GPU compile error.

[Filippo Spiga]

Please try 14.03, tell me if the problem persists.

F

> On Oct 29, 2014, at 6:34 PM, Mateus José Fernandes Martins <mjfmartins at ice.ufjf.br> wrote:
> 
> Now, I try with espresso-5.0.3 and the result was the same error.
> 
> 2014-10-29 14:13 GMT-02:00 Filippo Spiga <spiga.filippo at gmail.com>:
> Which version of QE are you using? Which version of QE-GPU?
> 
> F
> 
> > On Oct 29, 2014, at 2:58 PM, Mateus José Fernandes Martins <mjfmartins at ice.ufjf.br> wrote:
> >
> > Hello QE-users,
> >
> > I am trying to compile the Quantum-Espresso with the GPU, following the script mentioned in this page: https://github.com/fspiga/QE-GPU.  But, the command "make -f pw-gpu Makefile.gpu", after a few minutes of compilation, generates this error:
> >
> > ----------------------------------------------------------------------------------------------------------------------------------
> > make[1]: Entrando no diretório `/opt/espresso-GPU/GPU/PW'
> > test -n "" && ( cd ../.. ; make -w  || exit 1) || :
> > ifort -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 -openmp -nomodule -openmp -fpp -D__INTEL -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP  -I../include -I/opt/espresso-GPU/GPU/..//qe-magma/include -I/opt/espresso-GPU/GPU/..//quark/include -I/opt/espresso-GPU/GPU/..//phiGEMM/include -I/usr/include -I../../iotk/src -I../../PW/src -I../../Modules -I../Modules -I.  -c ../../PW/src/pwscf.f90
> > ifort -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 -openmp -nomodule -openmp -fpp -D__INTEL -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP  -I../include -I/opt/espresso-GPU/GPU/..//qe-magma/include -I/opt/espresso-GPU/GPU/..//quark/include -I/opt/espresso-GPU/GPU/..//phiGEMM/include -I/usr/include -I../../iotk/src -I../../PW/src -I../../Modules -I../Modules -I.  -c addusdens_gpu.f90
> > ifort -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 -openmp -nomodule -openmp -fpp -D__INTEL -D__FFTW -D__CUDA -D__PHIGEMM -D__MAGMA -DHAVE_CUBLAS -D__OPENMP  -I../include -I/opt/espresso-GPU/GPU/..//qe-magma/include -I/opt/espresso-GPU/GPU/..//quark/include -I/opt/espresso-GPU/GPU/..//phiGEMM/include -I/usr/include -I../../iotk/src -I../../PW/src -I../../Modules -I../Modules -I.  -c newq_compute_gpu.f90
> > newq_compute_gpu.f90(30): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [MP_BANDS]
> >   USE mp_bands,             ONLY : intra_bgrp_comm
> > ------^
> > newq_compute_gpu.f90(200): error #6404: This name does not have a type, and must have an explicit type.   [INTRA_BGRP_COMM]
> >   CALL mp_sum( deeq( :, :, :, 1:nspin_mag ), intra_bgrp_comm )
> > ---------------------------------------------^
> > newq_compute_gpu.f90(200): error #6285: There is no matching specific subroutine for this generic subroutine call.   [MP_SUM]
> >   CALL mp_sum( deeq( :, :, :, 1:nspin_mag ), intra_bgrp_comm )
> > -------^
> > newq_compute_gpu.f90(30): error #6580: Name in only-list does not exist.   [INTRA_BGRP_COMM]
> >   USE mp_bands,             ONLY : intra_bgrp_comm
> > -----------------------------------^
> > compilation aborted for newq_compute_gpu.f90 (code 1)
> > make[1]: ** [newq_compute_gpu.o] Erro 1
> > make[1]: Saindo do diretório `/opt/espresso-GPU/GPU/PW'
> > make: ** [pw-gpu] Erro 2
> > ----------------------------------------------------------------------------------------------------------------------------------
> >
> > Can anyone help me?
> >
> > Regards,
> >
> > Mateus
> >
> >
> > --
> > Dr. Mateus José Fernandes Martins
> > Grupo de Eletrônica Orgânica
> > www.ufjf.br/geo
> > Departamento de Física
> > Universidade Federal de Juiz de Fora
> > CEP 36036-330 Juiz de Fora - MG -Brasil
> > Grupo de Físico-Química de Sólidos e Interfaces
> > www.ufjf.br/gfqsi
> > Departamento de Química
> > Universidade Federal de Juiz de Fora
> > CEP 36036-330 Juiz de Fora - MG -Brasil
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> 
> --
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.info ~ skype: filippo.spiga
> 
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
> 
> *****
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> 
> 
> 
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> 
> 
> -- 
> Dr. Mateus José Fernandes Martins
> Grupo de Eletrônica Orgânica
> www.ufjf.br/geo
> Departamento de Física
> Universidade Federal de Juiz de Fora
> CEP 36036-330 Juiz de Fora - MG -Brasil
> Grupo de Físico-Química de Sólidos e Interfaces
> www.ufjf.br/gfqsi
> Departamento de Química
> Universidade Federal de Juiz de Fora
> CEP 36036-330 Juiz de Fora - MG -Brasil
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

*****
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."