[gmx-users] low performance 2 GTX 980+ Intel CPU Core i7-5930K 3.5 GHz (2011-3)

[Albert]

Maybe you can try to compile Gromacs with Nvidia own  cc compiler for 
GPU version.


On 12/30/2014 06:06 PM, Carlos Navarro Retamal wrote:
> >  cmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs5.03 -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-6.5