[gmx-users] Compiling with ICC: advantages and -if yes- a suitable protocol? (it seems I can't)

Mark Abraham mark.abraham at anu.edu.au
Wed Oct 13 02:51:38 CEST 2010


> >GROMACS performance is dependent on
> >a) non-bonded kernels (which are coded in assembler for the 
> large majority of platforms for which icc exists, and so 
> compiler version is largely irrelevant)
> 
> I use mostly tabulated functions for the model I'm developing...

So does regular PME, and these use the 3xx family of non-bonded kernels.

Mark

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