[gmx-users] Mac Support

[Mark Abraham]

Hi,

Only with the OpenCL support in GROMACS. See those parts of the install
guides. (And get the 2016 release for the better support of that.)

Mark

On Thu, 20 Oct 2016 14:40 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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