[gmx-users] mdrun-gpu

[Nathalia Garces]

Hello,
I want to know if it is possible to use "mdrun-gpu" with the command
"-multi", meaning to use GPUs using paralell simulation.
When I used it (mdrun-gpu -multi 2 -replex 2 ), it appears me an error shown
bellow
* Fatal error:
This binary is compiled without MPI support, can not do multiple
simulations.*

this bewilder me because I'm not sure I can use gpu and mpi at the same
time.


Thank you for four answer

Nathalia
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