Dear Amber Users,
I am currently trying to run a T-REMD simulation, with 24 replicas.
I have managed to fun the simulation with sander using the command:
mpirun -n $NSLOTS sander.MPI -O \ -ng 24 group.groupfile
However the run time is too long.
I would like to use pmemd.cuda. When running:
mpirun -n $NSLOTS pmemd.cuda.MPI -O \ -ng 24 group.groupfile
I get an error:
Pseudo-terminal will not be allocated because stdin is not a terminal.
Is anyone able to help with this?
Best wishes,
Juliette
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Received on Fri Mar 18 2022 - 03:00:02 PDT
