dtype=np.float64)
else:
send_array = -5 * np.array(np.random.rand(4, velBCncx, velBCncy, velBCncz),
order='F',
dtype=np.float64)
if NPx % 2 != 0 and my_coords[0] == 0:
send_array = np.zeros((4, velBCncx, velBCncy, velBCncz),
order='F',
dtype=np.float64)
cpllib.recv(recv_array, cnstFRegion)
cpllib.send(send_array, velBCRegion)
nsteps = cpllib.get("nsteps_coupled")
for i in xrange(nsteps):
cpllib.recv(recv_array, cnstFRegion)
cpllib.send(send_array, velBCRegion)
cpllib.dump_region(velBCRegion,
send_array,
"md_vels.dat",
realm_comm,
components={
0: None,
1: None,
2: None
},
coords="other")
cpllib.finalize()
velBCRegion = np.copy(olap_limits)
velBCRegion[3] = velBCRegion[2]
velBCPortion = cpllib.my_proc_portion(velBCRegion)
[velBCncx, velBCncy, velBCncz] = cpllib.get_no_cells(velBCPortion)
# Send dummy random stress distribution (constant value of stress = 0) to MD
np.random.seed(1000)
send_array = 5 * np.array(np.random.rand(9, cnstncx, cnstncy, cnstncz), order='F', dtype=np.float64)
# Receive averaged velocities from LAMMPS socket
recv_array = np.zeros((4, velBCncx, velBCncy, velBCncz), order='F',
dtype=np.float64)
cpllib.send(send_array, cnstFRegion)
cpllib.recv(recv_array, velBCRegion)
for step in xrange(nsteps):
print("CFD step: ", step)
cpllib.send(send_array, cnstFRegion)
cpllib.recv(recv_array, velBCRegion)
dx, dy, dz = (Lx / NCx, Ly / NCy, Lz / NCz)
dA = dx * dz
# Dump 1, 4 an 7 components of the stress tensor multiplied by the area of the cell
func = lambda x: x*dA
cpllib.dump_region(cnstFRegion, send_array, "cfd_forces.dat", realm_comm,
components={1:func, 4:func, 7:func}, coords="other")
cpllib.finalize()
dtype=np.float64)
else:
send_array = -5 * np.array(np.random.rand(4, velBCncx, velBCncy, velBCncz),
order='F',
dtype=np.float64)
if NPx % 2 != 0 and my_coords[0] == 0:
send_array = np.zeros((4, velBCncx, velBCncy, velBCncz),
order='F',
dtype=np.float64)
cpllib.recv(recv_array, cnstFRegion)
cpllib.send(send_array, velBCRegion)
nsteps = cpllib.get("nsteps_coupled")
for i in xrange(nsteps):
cpllib.recv(recv_array, cnstFRegion)
cpllib.send(send_array, velBCRegion)
cpllib.dump_region(cnstFRegion,
recv_array,
"md_forces.dat",
realm_comm,
components={
1: None,
4: None,
7: None
},
coords="other")
cpllib.finalize()
