def bias(coord, force, extra):
intra = plumed.getComm()
assert isinstance(intra, MPI.Comm)
assert intra.size == 3
assert MPI.COMM_WORLD.allgather(intra.rank) == [0, 1, 2]
inter = plumed.getMultiSimComm()
assert isinstance(inter, MPI.Comm)
assert inter.size == 1
assert inter.rank == 0
assert not intra is inter
force[:] = 0.0
return 0.0
def bias(coord, force, extra):
intra = plumed.getComm()
assert isinstance(intra, MPI.Comm)
assert intra.size == 1
assert intra.rank == 0
inter_comm = plumed.getMultiSimComm()
assert isinstance(inter, MPI.Comm)
assert inter.size == 1
assert inter.rank == 0
assert not intra is inter
force[:] = 0.0
return 0.0
import plumed
from mpi4py import MPI
intra = plumed.getComm()
assert isinstance(intra, MPI.Comm)
assert intra.size == 3
assert MPI.COMM_WORLD.allgather(intra.rank) == [0, 1, 2]
inter = plumed.getMultiSimComm()
assert isinstance(inter, MPI.Comm)
assert inter.size == 1
assert inter.rank == 0
assert not intra is inter
def bias(coord, force, extra):
intra = plumed.getComm()
assert isinstance(intra, MPI.Comm)
assert intra.size == 3
assert MPI.COMM_WORLD.allgather(intra.rank) == [0, 1, 2]
inter = plumed.getMultiSimComm()
assert isinstance(inter, MPI.Comm)
assert inter.size == 1
assert inter.rank == 0
assert not intra is inter
force[:] = 0.0