[Pw_forum] QE-GPU 14.10.0 with intel compilers

[Dr. NG Siu Pang]

Dear Filippo,

Please forgive me of replying to myself.

I found the solution to by adding the LDFLAGS,

./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort \
--enable-parallel --disable-openmp --without-scalapack \
--enable-cuda --with-gpu-arch=sm_20 --with-cuda-dir=/usr/local/cuda-6.5 \
--with-magma --with-phigemm \
LDFLAGS="-L/usr/lib64/ -lstdc++ -lpthread"

So it says,
The following libraries have been found:
  BLAS_LIBS=/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/..//phiGEMM/lib/libphigemm.a    -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
  LAPACK_LIBS=/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/..//qe-magma/lib/libmagma.a
  FFT_LIBS=
Please check if this is what you expect.

But new errors show,
../../Modules/libqemod.a(dspev_drv.o): In function `pdsyevd_drv':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/dspev_drv.f90:694: undefined reference to `descinit_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/dspev_drv.f90:714: undefined reference to `pdsyevd_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/dspev_drv.f90:724: undefined reference to `pdsyevd_'
../../Modules/libqemod.a(mp_diag.o): In function `mp_start_diag':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:76: undefined reference to `blacs_gridinit_'
../../Modules/libqemod.a(mp_diag.o): In function `clean_ortho_group':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:300: undefined reference to `blacs_gridexit_'
../../Modules/libqemod.a(mp_diag.o): In function `init_ortho_group':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:231: undefined reference to `blacs_get_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:239: undefined reference to `blacs_pnum_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:247: undefined reference to `blacs_gridmap_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:249: undefined reference to `blacs_gridinfo_'
../../Modules/libqemod.a(mp_diag.o): In function `clean_ortho_group':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:300: undefined reference to `blacs_gridexit_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:300: undefined reference to `blacs_gridexit_'
../../Modules/libqemod.a(mp_diag.o): In function `init_ortho_group':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:231: undefined reference to `blacs_get_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:239: undefined reference to `blacs_pnum_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:247: undefined reference to `blacs_gridmap_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/mp_diag.f90:249: undefined reference to `blacs_gridinfo_'
../../Modules/libqemod.a(zhpev_drv.o): In function `pzheevd_drv':
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/zhpev_drv.f90:1504: undefined reference to `descinit_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/zhpev_drv.f90:1523: undefined reference to `pzheevd_'
/home/zgdeng/QE520-GPU/espresso-5.2.0/Modules/zhpev_drv.f90:1536: undefined reference to `pzheevd_'
../Modules/libqemodgpu.a(cuda_env_para.o): In function `paralleldetect_':
/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/Modules/cuda_env_para.f90:49: undefined reference to `_gfortran_compare_string'
/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/Modules/cuda_env_para.f90:27: undefined reference to `_gfortran_os_error'
( cd ../../bin; ln -fs ../GPU/PW/pw-gpu.x . )
make[1]: Leaving directory `/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/PW'

I suppose it uses ifort but how comes gfortran?

Thanks,
Rolly




Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.