Hello everybody, Does anyone have any recommendation regarding the installation of gromacs 4.6 on Ubuntu 12.04? I have the nvidia-cuda-toolkit that comes in synaptic (4.0.17-3ubuntu0.1 installed in /usr/lib/nvidia-cuda-toolkit) and the drivers 304.88. Apparently, this is not compatible with gcc-4.5 and higher. When I issue:
$ cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/lib/nvidia-cuda-toolkit -DGMX_BUILD_OWN_FFTW=ON $ make the compilation ends with: In file included from /usr/lib/nvidia-cuda-toolkit/include/cuda_runtime.h:59:0, from <command-line>:0: /usr/include/host_config.h:82:2: error: #error -- unsupported GNU version! gcc 4.5 and up are not supported! If I downgrade to gcc-4.4 this error disappears, but gromacs compilation fails with a different error: cc1plus: error: unrecognized command line option "-fexcess-precision=fast" CMake Error at cuda_tools_generated_pmalloc_cuda.cu.o.cmake:198 (message): Error generating /home/me/Downloads/gromacs-4.6.2/build/src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o make[2]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_pmalloc_cuda.cu.o] Error 1 make[1]: *** [src/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/all] Error 2 make: *** [all] Error 2 Also, I tried the Intel compilers that comes with the non-commercial Intel c++ composer XE (which I believe are recommended). The compilation produces a number of warnings, and then dies with the following error: $ CC=/opt/intel/bin/icc cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/lib/nvidia-cuda-toolkit -DGMX_BUILD_OWN_FFTW=ON [ 63%] Building C object share/template/CMakeFiles/template.dir/template.c.o make[2]: *** No rule to make target `src/gmxlib/libgmx.so.8', needed by `share/template/template'. Stop. make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2 make: *** [all] Error 2 Thanks in advance for your help, Al -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
