[gmx-developers] Benchmark simulation

Matthieu.Dreher at imag.fr Matthieu.Dreher at imag.fr
Thu Oct 10 11:17:44 CEST 2013


I'm currently doing some benchmarking with Gromacs 4.6 and I struggle  
a bit to get scalability after 512 cores. As model I have a 5 million  
coarse grain simulation which should be enough to get a good  
scalability for several thousands of cores. I followed all the steps  
described here  
http://www.gromacs.org/Documentation/Performance_checklist but with  
Intel compiler 12.1 and Intel MPI 4.0.3. I was wondering if there was  
a benchmark suite somewhere for comparaison? It seems there was some  
discussion about it  
but I don't know if you actually made the data set available.

Best regards

Dreher Matthieu

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