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
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