natsgarces at gmail.com
Fri Mar 4 18:28:48 CET 2011
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
* Fatal error:
This binary is compiled without MPI support, can not do multiple
this bewilder me because I'm not sure I can use gpu and mpi at the same
Thank you for four answer
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