[gmx-users] Groms 2019.0, simulations using 2 GPUs: RTX 2080Ti

[Nikhil Maroli]

You can assign part of the core and 1 GPU to one job and another part with
separate command.
For ex.
1. gmx mdrun -ntmpi XX -ntomp YY  -gpu_id K1
2. gmx mdrun -ntmpi XX2 -ntomp YY2 -gpu_id K2

the second part of the question is related to the implementation of such
calculations in GPU< which is not yet implemented