Hello,<br>I want to know if it is possible to use "mdrun-gpu" with the command "-multi", meaning to use GPUs using paralell simulation. <br>When I used it (mdrun-gpu -multi 2 -replex 2 ), it appears me an error shown bellow<br>
<i><b> Fatal error:<br>This binary is compiled without MPI support, can not do multiple simulations.</b></i><br><br>this bewilder me because I'm not sure I can use gpu and mpi at the same time. <br><br><br>Thank you for four answer<br>
<br>Nathalia<br>