You got a warning at configure-time that the nvcc host compiler can't be set because the mpi compiler wrapper are used. Because of this, nvcc is using gcc to compile CPU code whick chokes on the icc flags. You can: - set CUDA_HOST_COMPILER to the mpicc backend, i.e. icc or - let cmake detect MPI and use simply CC=icc CXX=icpc cmake -DGMX_MPI=ON (in this case the normal compiler are used and *if* cmake can detect the MPI libs it will not need the wrappers).
Cheers, -- Szilárd On Fri, Apr 26, 2013 at 6:45 PM, Albert <[email protected]> wrote: > Dear: > > I've installed gromacs-4.6.1 in a GPU workstation with two GTX690. Here is > my step: > > > > ./configure --prefix=/home/albert/install/openmpi-1.4.5 CC=icc CXX=icpc > F77=ifort FC=ifort > make > make install > > > cmake .. -DGMX_MPI=ON -DGMX_GPU=ON -DBUILD_SHARED_LIBS=OFF > -DCUDA_TOOLKIT_ROOT_DIR=/opt/common/cuda-5.0 > -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs-4.6.1 > -DCMAKE_PREFIX_PATH=/opt/intel/mkl/include/fftw > -DCMAKE_CXX_COMPILER=/home/albert/install/openmpi-1.4.5/bin/mpiCC > -DCMAKE_C_COMPILER=/home/albert/install/openmpi-1.4.5/bin/mpicc > > > however, it failed with messages: > > [ 1%] 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’ > CMake Error at gpu_utils_generated_gpu_utils.cu.o.cmake:198 (message): > Error generating > /home/albert/install/source/gromacs-4.6.1/build/src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o > > > make[2]: *** > [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/./gpu_utils_generated_gpu_utils.cu.o] > Error 1 > make[1]: *** [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all] Error 2 > make: *** [all] Error 2 > > > when I try to run make.... > > thank you very much > 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 -- 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
