[gmx-users] Intel compiling failed

[Albert]

On 04/05/2013 12:38 PM, Carsten Kutzner wrote:
> Hi Albert,
>
> one reason for the error you see could be that you are using a non-Intel
> MPI compiler wrapper. I think you need to specify MPICC=mpiicc as well.
>
> Carsten


thanks a lot both Carsten and Justin.

I've compiled both fftw and openmpi with intel icc and ifort well. 
However, when I try to compile gromacs, it failed?:


cmake .. -DGMX_MPI=ON -DGMX_GPU=ON -DBUILD_SHARED_LIBS=OFF 
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda 
-DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs-4.6.1 
-DCMAKE_PREFIX_PATH=/home/albert/install/fftw-3.3.3 
-DCMAKE_CXX_COMPILER=/home/albert/install/openmpi-1.6.4/bin/mpiCC 
-DCMAKE_C_COMPILER=/home/albert/install/openmpi-1.6.4/bin/mpicc



[  0%] [  0%] [  0%] [  0%] Building NVCC (Device) object 
src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o
Building NVCC (Device) object 
src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_cudautils.cu.o
Building NVCC (Device) object 
src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_copyrite_gpu.cu.o
Building NVCC (Device) object 
src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o
cc1plus: error: unrecognized command line option '-ip'
cc1plus: error: unrecognized command line option '-ip'
CMake Error at gpu_utils_generated_gpu_utils.cu.o.cmake:198 (message):
   Error generating
/home/albert/install/00-source/gromacs-4.6.1/build/src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o


cc1plus: error: unrecognized command line option '-ip'make[2]: *** 
[src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/./gpu_utils_generated_gpu_utils.cu.o] 
Error 1
cc1plus: error: unrecognized command line option '-ip'
make[1]: *** [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs....

CMake Error at cuda_tools_generated_copyrite_gpu.cu.o.cmake:198 (message):
   Error generating
/home/albert/install/00-source/gromacs-4.6.1/build/src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_copyrite_gpu.cu.o


make[2]: *** 
[src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_copyrite_gpu.cu.o] 
Error 1
make[2]: *** Waiting for unfinished jobs....
CMake Error at cuda_tools_generated_pmalloc_cuda.cu.o.cmake:198 (message):
   Error generating
/home/albert/install/00-source/gromacs-4.6.1/build/src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o


CMake Error at cuda_tools_generated_cudautils.cu.o.cmake:198 (message):
   Error generating
/home/albert/install/00-source/gromacs-4.6.1/build/src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_cudautils.cu.o


make[2]: *** 
[src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_pmalloc_cuda.cu.o] 
Error 1
make[2]: *** 
[src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_cudautils.cu.o] 
Error 1
make[1]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/all] Error 2
make: *** [all] Error 2


best
Albert