[gmx-users] Tested and most compatible Gromacs version for Mac OS Leopard (10.5)

Mark Abraham mark.j.abraham at gmail.com
Thu Nov 6 13:33:01 CET 2014


In principle, any Gromacs version will work on any Mac OS version, but the
problem lies in getting a compiler toolchain that works correctly. Stock
Apple compilers are based on clang, which doesn't support OpenMP, and would
be outperformed by gcc if the linker in the binutils supported AVX SIMD
(which it doesn't). You can probably build your own gcc toolchain that
works, but the most reliable path is to use the Intel compilers (which are
not free). And it gets more fun if you want CUDA support.


On Thu, Nov 6, 2014 at 11:45 AM, PAVAN PAYGHAN <pavanapex at gmail.com> wrote:

> Dear Gromacs Users,
> Please suggest me latest gromacs version which will suit Mac OS Leopard (on
> Apple cluster) without having any problems.
> Can it be possible to use 5.0 Gromacs series for the same?. I searched in
> net and mailing list didn't found any reliable answer.
> Thanking You in advance.
> Pavan Payghan
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