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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