[gmx-users] gromacs installation in mac osx 10.8

[Sudip Roy]

Dear All,

    I am trying to install Gromacs 4.6.3 in my Macbook pro retina with 10.8.
It has a GPU (NVIDIA GeForce GT 650M 1024 MB).
 I got really hopeful to use the GPU and the i7 (threaded 8 cores) for calculations.
But I am finding it difficult to install Gromacs
.
Mac osx 10.8 comes with clang compiler (Xcode 4.xx), which has no support for OpenMP.
GNU compiler 4.6, 4.7, 4.8 is not supporting AVX, getting  error

 CMake Error at CMakeLists.txt:833 (message):
  Cannot compile AVX intrinsics.  Consider switching compiler

In the instruction it is given that  for Mac, Intel compiler is the best for performance.
Intel compiler has no non-commercial Mac version.
To use Intel compiler I have to pay.

Now the question, is there any work around for this, can I install 4.6 in my mac os with GPU and OpenMP?
Is anyone tested the Intel compiler in mac osx 10.8 with GPU on.


Thank you.


Regards

Sudip




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