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

vinshal shalini vinshal.shalini at gmail.com
Mon Mar 6 08:42:25 CET 2017

 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.


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