the most efficient way is just give up a macOS and switch to a more
reasonable OS like Linux. macOS is definitely a pain in the neck , and
it is completely nightmare to use it for computational work.
On 12/03/2012 04:10 PM, Szilárd Páll wrote:
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
>
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