[Pw_forum] QE-GPU compile error.

Wed Oct 29 19:00:58 CET 2014

The Quantum-Espresso version is 5.0.2 and the QE-GPU is 14.10.04.

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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-- 
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
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