[gmx-users] Mac Support

[Szilárd Páll]

Hi,

It appears that your clang is still based on an old version that does
not support OpenMP which is been supported since 3.7 (official
versioning, Apple re-versions the clang compilers). Without OpenMP you
can run, but performance won't be very good.

Apple's OpenCL _should_ work in theory, but we don't use it regularly,
so you'll have to try and see.

Let us know how things work out!

Cheers,

--
Szilárd


On Thu, Oct 20, 2016 at 2:39 PM, Reza Esmaeili <goldeagle.93 at gmail.com> wrote:
> Hi.
> I just installed 5.1.4 on macOS Sierra on my iMac with Retina 5K Display (Late 2014) which is equipped with an AMD RADEON M295X 4GB GPU.
> Can I run on the GPU?
> I got these notes during installation. (Full text of the terminal here <https://www.dropbox.com/s/luwrj96bmj6z9el/Terminal%20Saved%20Output1.txt?dl=0>.)
>
> -- Looking for NVIDIA GPUs present in the system
> -- Could not detect NVIDIA GPUs
> -- No compatible CUDA toolkit found (v4.0+), disabling native GPU acceleration
> -- Checking for GCC x86 inline asm
> -- Checking for GCC x86 inline asm - supported
> -- Detecting best SIMD instructions for this CPU
> -- Detected best SIMD instructions for this CPU - AVX2_256
> -- Try OpenMP C flag = [-fopenmp=libomp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [ ]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-fopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [/openmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-Qopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-openmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-xopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [+Oopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-qsmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP C flag = [-mp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-fopenmp=libomp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [ ]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-fopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [/openmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-Qopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-openmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-xopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [+Oopenmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-qsmp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Try OpenMP CXX flag = [-mp]
> -- Performing Test OpenMP_FLAG_DETECTED
> -- Performing Test OpenMP_FLAG_DETECTED - Failed
> -- Could NOT find OpenMP (missing:  OpenMP_C_FLAGS OpenMP_CXX_FLAGS)
> CMake Warning at cmake/gmxManageOpenMP.cmake:78 (message):
>   The compiler you are using does not support OpenMP parallelism.  This might
>   hurt your performance a lot, in particular with GPUs.  Try using a more
>   recent version, or a different compiler.  For now, we are proceeding by
>   turning off OpenMP.
> Call Stack (most recent call first):
>   CMakeLists.txt:276 (include)
> --
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