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
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