Difference between revisions of "ALPS 2 Tutorials:MC-01 Equilibration"
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Script file [http://alps.comp-phys.org/static/tutorials2.1.0/mc-01b-equilibration/tutorial1a.py tutorial1a.py]: | Script file [http://alps.comp-phys.org/static/tutorials2.1.0/mc-01b-equilibration/tutorial1a.py tutorial1a.py]: | ||
| + | |||
| + | import pyalps | ||
| + | |||
| + | parms = []; | ||
| + | for T in [0.7, 0.8, 0.9, 1.0, 1.1, 1.2, 1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2.0]: | ||
| + | parms.append({ | ||
| + | 'LATTICE' : "square lattice", | ||
| + | 'MODEL' : "boson Hubbard", | ||
| + | 'L' : 20, | ||
| + | 'Nmax' : 20, | ||
| + | 't' : 1., | ||
| + | 'U' : 16., | ||
| + | 'mu' : 32., | ||
| + | 'T' : T, | ||
| + | 'THERMALIZATION' : 10000, | ||
| + | 'SWEEPS' : 100000, | ||
| + | 'SKIP' : 400 | ||
| + | }) | ||
| + | |||
| + | input_file = pyalps.writeInputFiles('parm1a',parms) | ||
| + | res = pyalps.runApplication('dwa',input_file) | ||
Revision as of 16:09, 27 August 2013
Contents
Equilibration
Rule of thumb: All Monte Carlo simulations have to be equilibrated before taking measurements.
Example: Quantum Monte Carlo (directed worm algorithm) simulations
As an example, we consider a Quantum Monte Carlo simulation implemented in the directed worm algorithm for boson Hubbard model in square lattice geometry of size 202.
Using command line
The parameter file parm1a:
LATTICE="square lattice"
MODEL="boson Hubbard"
L=20
Nmax=20
t=1.
U=16.
mu=32.
THERMALIZATION=10000
SWEEPS=100000
SKIP=400
{T=1.0}
We first convert the input parameters to XML and then run the application dwa:
parameter2xml parm1a dwa parm1a.in.xml
Using Python
Script file tutorial1a.py:
import pyalps
parms = [];
for T in [0.7, 0.8, 0.9, 1.0, 1.1, 1.2, 1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2.0]:
parms.append({
'LATTICE' : "square lattice",
'MODEL' : "boson Hubbard",
'L' : 20,
'Nmax' : 20,
't' : 1.,
'U' : 16.,
'mu' : 32.,
'T' : T,
'THERMALIZATION' : 10000,
'SWEEPS' : 100000,
'SKIP' : 400
})
input_file = pyalps.writeInputFiles('parm1a',parms)
res = pyalps.runApplication('dwa',input_file)
