On Apr 5, 2013, at 4:21 PM, Albert <[email protected]> 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 > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
