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
