[gmx-users] Gromacs-4.6 on two Titans GPUs

[James Starlight]

Dear Gromacs Users!

I'd like to compile lattest 4.6 Gromacs with native GPU supporting on my i7
cpu with dual GeForces Titans gpu mounted. With this config I'd like to
perform simulations using cpu as well as both gpus simultaneously.

What flags besides

cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-5.5


should I define to CMAKE for compiling optimized gromacs on such workstation?


Thanks for help

James