Dear all,
i am trying to run a calculation using this:
mpirun -np 4 gmx_mpi mdrun -deffnm md -multidir 0 1 2 3
but I faced this error:
Inconsistency in user input:
The number of ranks (1) is not a multiple of the number of simulations (4)
The machine I’m working with has a single GPU with 24 processors.
I don’t know what the problem is.