[gmx-users] gromacs 4.6.4 query

[Chaitali Chandratre]

Dear Sir,

I have question w.r.t gromacs-4.6.4 installation with GPU support.
I have installed non-GPU vesion(for 4.6.4) and it works fine.

But while compiling with gpu (-DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/opt/CUDA-5.5)
It gives compilation error. The node is having gpu card fermi and cuda5.5.

Do I need to set some more things?

Thanks.

-- 
With Regards,
   Chaitali

"I know everything happens for a reason...But sometimes I wish I knew what
the reason was !! "