[gmx-users] Mac Support

[Felipe Merino]

Hey,
Just a side comment. The error/warning you get at the end of you email 
is because clang won't let you compile with openMP. For Mac you need to 
either disable the option (which I think Cmake did for you) or better 
install gcc and compile with that.

Best
Felipe

On 20/10/16 14:56, Mark Abraham wrote:
> 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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>>
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-- 
Felipe Merino, Dr. rer. nat.
Max Planck Institute for Molecular Physiology
Department of Structural Biochemistry
Otto-Hahn-Str. 11
44227 Dortmund
Phone: +49 231 133 2306