[Pw_forum] QE-GPU 14.10.0 with intel compilers

Dr. NG Siu Pang rollyng at cityu.edu.hk
Sat Oct 31 16:19:11 CET 2015


Dear Filippo and Developers,

Further update to my problem on compiling the QE-GPU 14.10.0 on a standalone GPU server with 8x Tesla C2050s.

I used
./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++" \
DFLAGS="-DMPICH_SKIP_MPICXX"

Then I modified the make.sys file as attached (renamed as make_GPU.sys)

As I compile, it stops and the final error is
...
ifort: command line remark #10010: option '-vec-report0' is deprecated and will be removed in a future release. See '-help deprecated'
/usr/local/cuda-6.5/bin/nvcc -gencode arch=compute_20,code=sm_20  -I../../include -I../include -I/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/..//qe-magma/include -I/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/..//quark/include -I/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/..//phiGEMM/include -I/usr/local/cuda-6.5/include -DMPICH_SKIP_MPICXX -D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI -D__DISABLE_CUDA_NEWD   -c cuda_init.cu
cuda_init.cu(383): error: identifier "ngpus_per_process" is undefined

cuda_init.cu(385): error: identifier "qe_gpu_bonded" is undefined

cuda_init.cu(398): error: identifier "qe_gpu_kernel_launch" is undefined

cuda_init.cu(398): error: identifier "update_gpu_kernel_specs" is undefined

cuda_init.cu(435): warning: variable "lRankThisNode" was declared but never referenced

cuda_init.cu(435): warning: variable "lSizeThisNode" was declared but never referenced

4 errors detected in the compilation of "/tmp/tmpxft_0000411c_00000000-6_cuda_init.cpp1.ii".
make[1]: *** [cuda_init.o] Error 2
make[1]: Leaving directory `/home/zgdeng/QE520-GPU/espresso-5.2.0/GPU/Modules'
make: *** [gpu-mods] Error 2

Could you help?

Thanks very much,
Rolly

PhD, Research Fellow,
Department of Physics and Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax:+852 3442 0538



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