Dear all,
I try to build a bulk transport system with periodic boundary condition by
40 * 40 * 40 sites. It requests over 2 GB memory during transmission
calculation. I curious why it produces so large memory requirement. Since
I'm going to expand the system up to 50 times, I want to know any way to
reduce the memory requirement and increase calculation speed. I'm using
kwant 1.1.2 and MUMPS with default PORD ordering. The system building code
is
syst = kwant.Builder(kwant.TranslationalSymmetry(lat.vec((0, cube.NY,
0)), lat.vec((0, 0, cube.NZ))))
for i in range(cube.NX):
for j in range(cube.NY):
for k in range(cube.NZ):
syst[(lat(i, j, k))] = -cube.data[i, j, k] + 6 * t
syst[lat.neighbors(1)] = -t
lead = kwant.Builder(kwant.TranslationalSymmetry(lat.vec((-1, 0, 0)),
lat.vec((0, cube.NY, 0)), lat.vec((0, 0, cube.NZ))))
lead[lat.shape(lead_shape, (0, 0, 0))] = 6 * t
lead[lat.neighbors(1)] = -t
syst=wraparound(syst)
syst.attach_lead(wraparound(lead,keep=0))
syst.attach_lead(wraparound(lead,keep=0).reversed())
--
Mingkai Li
