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.fili...@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 < > mjfmart...@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@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@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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