[Pw_forum] QE-GPU compile error.

[Mateus José Fernandes Martins]

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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