[gmx-users] Intel compiling failed

[Carsten Kutzner]

On Apr 5, 2013, at 4:21 PM, Albert <mailmd2011 at gmail.com> wrote:

> 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?:
Hm, this is another issue now. What version of the Intel compiler are you using?
With icc 13.0 it works for me, but I remember having problems with older versions as well.

Carsten

> 
> 
> 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
> -- 
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/grubmueller/kutzner
http://www.mpibpc.mpg.de/grubmueller/sppexa