[gmx-users] To invoke GPU in gromacs version 4.6.4

[Alex]

Well, the info you received is sufficient to figure out what happened. 
Install latest CUDA driver, install the latest version of Gromacs with 
GPU support.

http://www.gromacs.org/Documentation/Installation_Instructions_5.0#typical-gromacs-installation

Files do not get attached here and your mdp is irrelevant in this case 
anyway.

Alex

On 3/6/2017 12:42 AM, vinshal shalini wrote:
>   i am trying to invoke GPU for my final mdrun step using the command
>         mdrun -v -deffnm md -gup_id
>
>      Got the following : GPU ID string set, but mdrun was compiled without
> GPU support.
>
> I have also included cutoff-scheme = Verlet in the md.mdp file. Kindly help
> me to troubleshoot this issue.
>
>
> Thanks
> Shalini.M