Hi, I think this happens either because you have cmake 2.8.10 and the host-compiler gets double-set or because something gets messed up when you use clang/clang++ with gcc as the CUDA host-compiler. Could you provide the exact error output you are getting as well as cmake invocation? As I don't have access to such a machine myself, I'll need some help with figuring out what exactly is causing the trouble.
Btw, the CUDA Mac OS X user guide states that you need to use "The gcc compiler and toolchain installed using Xcode" ( http://docs.nvidia.com/cuda/cuda-getting-started-guide-for-mac-os-x/index.html ). Note that on Intel CPUs, when running on a single node, you'll get much better performance (up to +30%!) if you use only OpenMP-based parallelization - which is the default with up to 16 threads (on Intel). Cheers, -- Szilárd On Fri, Nov 30, 2012 at 11:01 AM, Carlo Camilloni <[email protected] > wrote: > Dear All, > > I have successfully compiled the beta1 of gromacs 4.6 on my macbook pro > with mountain lion. > I used the latest cuda and the clang/clang++ compilers in order to have > access to the AVX instructions. > mdrun works with great performances!! great job! > > two things: > > 1. the compilation was easy but not straightforward: > cmake ../ -DGMX_GPU=ON > -DCMAKE_INSTALL_PREFIX=/Users/carlo/Codes/gromacs-4.6/build-gpu > -DCMAKE_CXX_COMPILER=/usr/bin/clang++ -DCMAKE_C_COMPILER=/usr/bin/clang > -DCUDA_NVCC_HOST_COMPILER=/usr/bin/gcc -DCUDA_PROPAGATE_HOST_FLAGS=OFF > > and then I had to manually edit > src/gmxlib/CMakeFiles/gmx.dir/link.txt > > and change clang to clang++ > (I noted that in many other places it was correctly set, and without this > change I got an error on some c++ related stuff) > > 2. is there any way to have openmp parallelisation on osx? > > Best, > Carlo > > > -- > 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
