[gmx-users] how can i install sse4.1 and avx_256

Milan Melicherčík melichercik at nh.cas.cz
Thu Oct 23 13:01:06 CEST 2014

you need to recompile Gromacs with -DGMX_SIMD=AVX_256 flag. Or not set it and 
cmake should detect and use the best version automatically. 


On Thursday 23 October 2014 13:32:31 Yaser Hosseini wrote:
> hi
> Reading file md.tpr, VERSION 4.6.5 (single precision)
> Using 4 MPI threads
> Compiled acceleration: SSE4.1 (Gromacs could use AVX_256 on this machine,
> which is better)
> how can i use this features for better mdrun speed.
> thanke you.

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