[gmx-users] Mac Support

[Mark Abraham]

Hi,

At least, gcc from macports has (presumably) working binutils for e.g. AVX2
support on my MacBookAir, and obviously has OpenMP, so I assume that will
work also for OpenCL on such a GPU. But confirmation of a working setup
would indeed be great to hear.

Mark

On Thu, Oct 20, 2016 at 4:11 PM Szilárd Páll <pall.szilard at gmail.com> wrote:

> On Thu, Oct 20, 2016 at 3:09 PM, Felipe Merino
> <felipe.merino at mpi-dortmund.mpg.de> wrote:
> > 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.
>
> For several years one had to choose either OpenMP or SIMD support. Has
> the issue been resolved that prevented the use of gcc and sensible
> SIMD support (due to no >=AVX SIMD support in the assembler)?
> --
> Szilárd
>
> > 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)
> >>> --
> >>> Gromacs Users mailing list
> >>>
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> >>> posting!
> >>>
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> >>> send a mail to gmx-users-request at gromacs.org.
> >>>
> >
> >
> > --
> > 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 <+49%20231%201332306>
> >
> >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> >
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> >
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> send a
> > mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
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>
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