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.
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
