Re: [gmx-users] Looking for GPU benchmarks

Hi, The short answer is that you need to turn on the new verlet cut-off scheme. You read the following wiki pages: http://www.gromacs.org/Documentation/Acceleration_and_parallelization?highlight=verlet#GPU_acceleration http://www.gromacs.org/Documentation/Cut-off_schemes?highlight=verlet#How_to_u

[gmx-users] Looking for GPU benchmarks

Hi, I have installed the developement version of GROMACS (4.6) that supports multi-GPU. I am not able however to run it since conditions to use GPU are quite complicated to me. I was wondering then, if anyone could provide me with some input files that would allow me to compare performance of s