[Pw_forum] QE-GPU compile error.

Mateus José Fernandes Martins mjfmartins at ice.ufjf.br
Thu Oct 30 16:59:08 CET 2014 

gcc (Ubuntu 4.8.2-19ubuntu1) 4.8.2
Copyright (C) 2013 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.



Bu, in make.sys, the variable CC is icc.

2014-10-30 13:06 GMT-02:00 Filippo Spiga <spiga.filippo at gmail.com>:

> Which GCC have you installed on this system?
>
> $ gcc --version
>
>
> F
>
> On Oct 30, 2014, at 12:05 PM, Mateus José Fernandes Martins <
> mjfmartins at ice.ufjf.br> wrote:
> >
> > Ok, the error is gone. But, the error is
> >
> >
> --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> > ifort -static-intel  -openmp -o pw-gpu.x \
> >        pwscf.o  ../../PW/src/libpw.a libpwgpu.a ../../Modules/libqemod.a
> ../Modules/libqemodgpu.a ../../flib/ptools.a ../../flib/flib.a
> ../../clib/clib.a ../../iotk/src/libiotk.a
> /opt/espresso-5.0.2/GPU/..//qe-magma/lib/libmagma.a
> /opt/espresso-5.0.2/GPU/..//phiGEMM/lib/libphigemm.a    -lmkl_intel_lp64
> -lmkl_intel_thread -lmkl_core   -L/usr/lib64 -lcublas  -lcufft -lcudart
> > ld: /opt/espresso-5.0.2/GPU/..//qe-magma/lib/libmagma.a(zhetrd_hb2st.o):
> referência indefinida ao símbolo '__gxx_personality_v0@@CXXABI_1.3'
> > //usr/lib/x86_64-linux-gnu/libstdc++.so.6: error adding symbols: DSO
> missing from command line
> > make[1]: ** [pw-gpu.x] Erro 1
> > make[1]: Saindo do diretório `/opt/espresso-5.0.2/GPU/PW'
> > make: ** [pw-gpu] Erro 2
> >
> ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> >
> >
> > 2014-10-29 18:01 GMT-02:00 Filippo Spiga <spiga.filippo at gmail.com>:
> > 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
> > >
> > > *****
> > > 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."
> > >
> > >
> > >
> > > _______________________________________________
> > > Pw_forum mailing list
> > > Pw_forum at pwscf.org
> > > http://pwscf.org/mailman/listinfo/pw_forum
> > >
> > >
> > >
> > > --
> > > 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."
> >
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> >
> >
> >
> > --
> > 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."
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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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