Running ALF#
from pprint import pprint # Pretty print
from py_alf import ALF_source, Simulation # Interface with ALF
ALF_source#
Create instance of ALF_source, choosing to checkout the git branch '211-add-nematic-dirac-hamiltonian', since the Nematic Dirac Hamiltonian is not on master.
Reminder: Directory containing the ALF code is taken from environment variable $ALF_DIR, if present.
alf_src = ALF_source(
branch='211-add-nematic-dirac-hamiltonian',
)
Checking out branch 211-add-nematic-dirac-hamiltonian
Your branch is up to date with 'origin/211-add-nematic-dirac-hamiltonian'.
Check available Hamiltonians:
alf_src.get_ham_names()
['Kondo',
'Hubbard',
'Hubbard_Plain_Vanilla',
'tV',
'LRC',
'Z2_Matter',
'Nematic_Dirac']
Print valid parameters and their defaults for Nematic Dirac Hamiltonian:
pprint(alf_src.get_default_params('Nematic_Dirac', include_generic=False))
OrderedDict([('VAR_Nematic_Dirac',
{'Global_J': {'comment': 'J for proposing global updates',
'defined_in_base': False,
'value': 1.0},
'Global_h': {'comment': 'h for proposing global updates',
'defined_in_base': False,
'value': 3.0},
'Global_type': {'comment': 'Type of global update. Possible '
"values: 'Wolff', 'Geo', 'switch', "
"'flip'",
'defined_in_base': False,
'value': ''},
'Ham_J': {'comment': 'Ferromagnetic Ising interaction',
'defined_in_base': False,
'value': 1.0},
'Ham_chem': {'comment': 'Chemical potential',
'defined_in_base': False,
'value': 0.0},
'Ham_h': {'comment': 'Ising transverse field',
'defined_in_base': False,
'value': 3.0},
'Ham_xi': {'comment': 'Coupling strength Ising spins <-> '
'fermions',
'defined_in_base': False,
'value': 1.0},
'Ham_xi2': {'comment': 'Static fermion hopping "distortion"',
'defined_in_base': False,
'value': 0.0},
'L1': {'comment': 'Size of lattice in a1 direction',
'defined_in_base': False,
'value': 4},
'L2': {'comment': 'Size of lattice in a2 direction',
'defined_in_base': False,
'value': 4},
'Model_vers': {'comment': 'Version of model. 1: C_2v model, 2: '
'C_4v model',
'defined_in_base': False,
'value': 1},
'N_SUN': {'comment': 'SU(N) symmetry',
'defined_in_base': True,
'value': 2},
'Phi_1': {'comment': 'Twisted boundary in a1 direction',
'defined_in_base': False,
'value': 0.0},
'Phi_2': {'comment': 'Twisted boundary in a2 direction',
'defined_in_base': False,
'value': 0.0},
'beta': {'comment': 'Reciprocal temperature',
'defined_in_base': False,
'value': 10.0},
'dtau': {'comment': 'Imaginary time step size',
'defined_in_base': False,
'value': 0.1},
'ham_t': {'comment': 'Hopping amplitude of fermions',
'defined_in_base': False,
'value': 1.0},
'init_type': {'comment': 'How to initialize Ising field. '
"Possible values: 'random', 'up', "
"'down', 'updown'",
'defined_in_base': False,
'value': 'random'}})])
Perform simulations#
The loop shown below performs a parameter sweep over transverse field strength \(h \in \{2.5, 3.0, 3.5, 4.0\}\) for system sizes \(L \in \{4, 6, 8, 10\}\). Parallel Tempering is used to run simulations with different \(h\) in parallel. This method is actually intended for addressing ergodicity issues, but in this case it is only used to more conveniently perform a parameter sweep in parallel.
The simulations are set to take \(0.2\), \(1\), \(7\) and \(18\) hours.
for L, time in zip([4, 6, 8, 10], [.2, 1., 7., 18.]):
print(f'====== L={L} ======')
sim = Simulation(
alf_src,
'Nematic_Dirac',
[{
# Model specific parameters
'Model_vers': 1, # C_2v model
'L1': L,
'L2': L,
'beta': L*4.,
'Ham_xi': 0.25,
'Ham_h': h,
# QMC parameters
'Ltau': 1,
'CPU_MAX': time,
'NSweep': 20,
'mpi_per_parameter_set': 1,
# Only put Tempering_calc_det=False if you know what you're doing.
'Tempering_calc_det': False,
} for h in [2.5, 3.0, 3.5, 4.0]],
machine='intel',
mpi=True,
n_mpi=4,
)
if L == 4:
# We only need to compile once
sim.compile()
sim.run()
sim.print_info_file()
Show code cell output
====== L=4 ======
Compiling ALF...
Cleaning up Prog/
Cleaning up Libraries/
Cleaning up Analysis/
Compiling Libraries
Compiling Analysis
Compiling Program
Parsing Hamiltonian parameters
filename: Hamiltonians/Hamiltonian_Kondo_smod.F90
filename: Hamiltonians/Hamiltonian_Hubbard_smod.F90
filename: Hamiltonians/Hamiltonian_Hubbard_Plain_Vanilla_smod.F90
filename: Hamiltonians/Hamiltonian_tV_smod.F90
filename: Hamiltonians/Hamiltonian_LRC_smod.F90
filename: Hamiltonians/Hamiltonian_Z2_Matter_smod.F90
filename: Hamiltonians/Hamiltonian_Nematic_Dirac_smod.F90
Compiling program modules
Link program
Done.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_1" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_2" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_3" for Monte Carlo run.
Create new directory.
Run /home/jschwab/Programs/ALF/Prog/ALF.out
ALF Copyright (C) 2016 - 2022 The ALF project contributors
This Program comes with ABSOLUTELY NO WARRANTY; for details see license.GPL
This is free software, and you are welcome to redistribute it under certain conditions.
No initial configuration
IPL WARN> ipl_option_domain: wrong layout value cache3
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_0/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 4
L2 : 4
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 16.0000000000000
Ham_h : 2.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 814342
Sweeps : 20
Prog will stop after hours: 0.2000
Measure Int. : 1 160
Stabilization,Wrap : 10
Nstm : 16
Ltau : 1
# of interacting Ops per time slice : 16
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 6.060227107560253E-015 6.088633584535194E-014
Precision Phase, Max : 5.002683203420012E-014
Precision tau Mean, Max : 1.690020544403851E-015 5.270363585811199E-014
Acceptance : 0.160595703125000
Effective Acceptance : 0.160595703125000
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 717.772082000000
Effective number of bins : 433
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_1/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 4
L2 : 4
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 16.0000000000000
Ham_h : 3.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 1048
Sweeps : 20
Prog will stop after hours: 0.2000
Measure Int. : 1 160
Stabilization,Wrap : 10
Nstm : 16
Ltau : 1
# of interacting Ops per time slice : 16
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 6.210052811089217E-015 6.062904187183781E-014
Precision Phase, Max : 4.604245719519015E-014
Precision tau Mean, Max : 1.720340174865471E-015 5.106054921761476E-014
Acceptance : 0.246603456986143
Effective Acceptance : 0.246603456986143
Acceptance Tempering : 7.698229407236335E-004
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 717.772105000000
Effective number of bins : 433
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_2/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 4
L2 : 4
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 16.0000000000000
Ham_h : 3.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 452938
Sweeps : 20
Prog will stop after hours: 0.2000
Measure Int. : 1 160
Stabilization,Wrap : 10
Nstm : 16
Ltau : 1
# of interacting Ops per time slice : 16
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 6.289411735318729E-015 6.534363210075338E-014
Precision Phase, Max : 4.267607421960153E-014
Precision tau Mean, Max : 1.767014562755423E-015 6.395020058536687E-014
Acceptance : 0.345798300375289
Effective Acceptance : 0.345798300375289
Acceptance Tempering : 5.966127790608160E-003
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 717.772088000000
Effective number of bins : 433
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=4_L2=4_beta=16.0_xi=0.25_h=2.5/Temp_3/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 4
L2 : 4
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 16.0000000000000
Ham_h : 4.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 790789
Sweeps : 20
Prog will stop after hours: 0.2000
Measure Int. : 1 160
Stabilization,Wrap : 10
Nstm : 16
Ltau : 1
# of interacting Ops per time slice : 16
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 6.129852540959058E-015 6.607806788158521E-014
Precision Phase, Max : 3.214417830310617E-014
Precision tau Mean, Max : 1.794537902798076E-015 6.445202485122815E-014
Acceptance : 0.431498380665416
Effective Acceptance : 0.431498380665416
Acceptance Tempering : 5.196304849884526E-003
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 717.772095000000
Effective number of bins : 433
====== L=6 ======
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_1" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_2" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_3" for Monte Carlo run.
Create new directory.
Run /home/jschwab/Programs/ALF/Prog/ALF.out
ALF Copyright (C) 2016 - 2022 The ALF project contributors
This Program comes with ABSOLUTELY NO WARRANTY; for details see license.GPL
This is free software, and you are welcome to redistribute it under certain conditions.
No initial configuration
IPL WARN> ipl_option_domain: wrong layout value cache3
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_0/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 6
L2 : 6
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 24.0000000000000
Ham_h : 2.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 814342
Sweeps : 20
Prog will stop after hours: 1.0000
Measure Int. : 1 240
Stabilization,Wrap : 10
Nstm : 24
Ltau : 1
# of interacting Ops per time slice : 36
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 5.079588956049492E-015 7.036393392470011E-014
Precision Phase, Max : 2.201297643697778E-013
Precision tau Mean, Max : 1.436037514615229E-015 6.737596634944313E-014
Acceptance : 0.168743817943370
Effective Acceptance : 0.168743817943370
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 3583.62417500000
Effective number of bins : 293
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_1/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 6
L2 : 6
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 24.0000000000000
Ham_h : 3.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 1048
Sweeps : 20
Prog will stop after hours: 1.0000
Measure Int. : 1 240
Stabilization,Wrap : 10
Nstm : 24
Ltau : 1
# of interacting Ops per time slice : 36
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 4.937830075016206E-015 7.128786529892615E-014
Precision Phase, Max : 1.954855198315653E-013
Precision tau Mean, Max : 1.418045306354381E-015 7.786591406294897E-014
Acceptance : 0.264509217782202
Effective Acceptance : 0.264509217782202
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 3583.62589900000
Effective number of bins : 293
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_2/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 6
L2 : 6
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 24.0000000000000
Ham_h : 3.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 452938
Sweeps : 20
Prog will stop after hours: 1.0000
Measure Int. : 1 240
Stabilization,Wrap : 10
Nstm : 24
Ltau : 1
# of interacting Ops per time slice : 36
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 4.665532297485520E-015 7.974600032716861E-014
Precision Phase, Max : 2.598934811204975E-013
Precision tau Mean, Max : 1.431401729663272E-015 7.256607708059763E-014
Acceptance : 0.377507130103653
Effective Acceptance : 0.377507130103653
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 3583.62490200000
Effective number of bins : 293
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=6_L2=6_beta=24.0_xi=0.25_h=2.5/Temp_3/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 6
L2 : 6
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 24.0000000000000
Ham_h : 4.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 790789
Sweeps : 20
Prog will stop after hours: 1.0000
Measure Int. : 1 240
Stabilization,Wrap : 10
Nstm : 24
Ltau : 1
# of interacting Ops per time slice : 36
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 4.630288793710716E-015 8.384443256897307E-014
Precision Phase, Max : 1.987184929460109E-013
Precision tau Mean, Max : 1.446965975466240E-015 7.633254941067997E-014
Acceptance : 0.452306302142586
Effective Acceptance : 0.452306302142586
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 3583.62498100000
Effective number of bins : 293
====== L=8 ======
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_1" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_2" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_3" for Monte Carlo run.
Create new directory.
Run /home/jschwab/Programs/ALF/Prog/ALF.out
ALF Copyright (C) 2016 - 2022 The ALF project contributors
This Program comes with ABSOLUTELY NO WARRANTY; for details see license.GPL
This is free software, and you are welcome to redistribute it under certain conditions.
No initial configuration
IPL WARN> ipl_option_domain: wrong layout value cache3
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_0/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 8
L2 : 8
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 32.0000000000000
Ham_h : 2.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 814342
Sweeps : 20
Prog will stop after hours: 7.0000
Measure Int. : 1 320
Stabilization,Wrap : 10
Nstm : 32
Ltau : 1
# of interacting Ops per time slice : 64
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 8.529121289734605E-015 1.670614252208085E-010
Precision Phase, Max : 1.335613378575227E-011
Precision tau Mean, Max : 1.440812160317906E-015 1.192057750682371E-012
Acceptance : 0.172196251190270
Effective Acceptance : 0.172196251190270
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 25124.9372690000
Effective number of bins : 361
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_1/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 8
L2 : 8
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 32.0000000000000
Ham_h : 3.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 1048
Sweeps : 20
Prog will stop after hours: 7.0000
Measure Int. : 1 320
Stabilization,Wrap : 10
Nstm : 32
Ltau : 1
# of interacting Ops per time slice : 64
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 4.077112736848348E-015 8.296038236796278E-014
Precision Phase, Max : 5.405534531036484E-013
Precision tau Mean, Max : 1.358606976543293E-015 9.229709527615350E-014
Acceptance : 0.272447415085050
Effective Acceptance : 0.272447415085050
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 25124.9488980000
Effective number of bins : 361
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_2/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 8
L2 : 8
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 32.0000000000000
Ham_h : 3.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 452938
Sweeps : 20
Prog will stop after hours: 7.0000
Measure Int. : 1 320
Stabilization,Wrap : 10
Nstm : 32
Ltau : 1
# of interacting Ops per time slice : 64
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.977430421948663E-015 8.827673582474309E-014
Precision Phase, Max : 4.006193603732553E-013
Precision tau Mean, Max : 1.360325358384710E-015 1.268431648988199E-013
Acceptance : 0.390314376704250
Effective Acceptance : 0.390314376704250
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 25124.9393830000
Effective number of bins : 361
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=8_L2=8_beta=32.0_xi=0.25_h=2.5/Temp_3/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 8
L2 : 8
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 32.0000000000000
Ham_h : 4.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 790789
Sweeps : 20
Prog will stop after hours: 7.0000
Measure Int. : 1 320
Stabilization,Wrap : 10
Nstm : 32
Ltau : 1
# of interacting Ops per time slice : 64
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.900478281881780E-015 9.945055768032217E-014
Precision Phase, Max : 4.144278783301008E-013
Precision tau Mean, Max : 1.292814853241355E-015 7.733758481094849E-014
Acceptance : 0.456342540117512
Effective Acceptance : 0.456342540117512
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 25124.9369700000
Effective number of bins : 361
====== L=10 ======
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_1" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_2" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_3" for Monte Carlo run.
Create new directory.
Run /home/jschwab/Programs/ALF/Prog/ALF.out
ALF Copyright (C) 2016 - 2022 The ALF project contributors
This Program comes with ABSOLUTELY NO WARRANTY; for details see license.GPL
This is free software, and you are welcome to redistribute it under certain conditions.
No initial configuration
IPL WARN> ipl_option_domain: wrong layout value cache3
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_0/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 10
L2 : 10
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 40.0000000000000
Ham_h : 2.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 814342
Sweeps : 20
Prog will stop after hours: 18.0000
Measure Int. : 1 400
Stabilization,Wrap : 10
Nstm : 40
Ltau : 1
# of interacting Ops per time slice : 100
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.914992716676156E-015 8.332596551572000E-013
Precision Phase, Max : 1.054082815114239E-011
Precision tau Mean, Max : 1.504341325245022E-015 1.002344586897882E-013
Acceptance : 0.173738514933628
Effective Acceptance : 0.173738514933628
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 64554.3506670000
Effective number of bins : 226
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_1/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 10
L2 : 10
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 40.0000000000000
Ham_h : 3.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 1048
Sweeps : 20
Prog will stop after hours: 18.0000
Measure Int. : 1 400
Stabilization,Wrap : 10
Nstm : 40
Ltau : 1
# of interacting Ops per time slice : 100
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.747010744549161E-015 9.528984625702556E-014
Precision Phase, Max : 1.167397035310225E-012
Precision tau Mean, Max : 1.494616403689913E-015 9.332361708385707E-014
Acceptance : 0.276813965707965
Effective Acceptance : 0.276813965707965
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 64554.3520960000
Effective number of bins : 226
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_2/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 10
L2 : 10
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 40.0000000000000
Ham_h : 3.50000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 452938
Sweeps : 20
Prog will stop after hours: 18.0000
Measure Int. : 1 400
Stabilization,Wrap : 10
Nstm : 40
Ltau : 1
# of interacting Ops per time slice : 100
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.721673501694443E-015 1.110278326237014E-013
Precision Phase, Max : 9.607639642077940E-013
Precision tau Mean, Max : 1.460101702147435E-015 1.017804153052843E-013
Acceptance : 0.396371573561947
Effective Acceptance : 0.396371573561947
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 64554.3472140000
Effective number of bins : 226
===== /home/jonas/dissertation/jb/appendix_nematic_pyalf/ALF_data/temper_Nematic_Dirac_Model_vers=1_L1=10_L2=10_beta=40.0_xi=0.25_h=2.5/Temp_3/info =====
=====================================
Model is : Nematic_Dirac 1
Global_type :
L1 : 10
L2 : 10
N_SUN : 2
ham_t : 1.00000000000000
dtau : 0.100000000000000
beta : 40.0000000000000
Ham_h : 4.00000000000000
Ham_J : 1.00000000000000
Ham_xi : 0.250000000000000
Ham_xi2 : 0.000000000000000E+000
Ham_chem : 0.000000000000000E+000
Global_J : 1.00000000000000
Global_h : 3.00000000000000
Phi_1 : 0.000000000000000E+000
Phi_2 : 0.000000000000000E+000
init_type : random
No initial configuration, Seed_in 790789
Sweeps : 20
Prog will stop after hours: 18.0000
Measure Int. : 1 400
Stabilization,Wrap : 10
Nstm : 40
Ltau : 1
# of interacting Ops per time slice : 100
Default sequential updating
Number of mpi-processes : 1
This executable represents commit 26b4ef84 of branch 211-add-nematic-dirac-hamiltonian.
# of exchange steps 6
Tempering frequency 10
Tempering Calc_det F
Precision Green Mean, Max : 3.674318440396770E-015 1.294442442769868E-013
Precision Phase, Max : 6.661972599133641E-013
Precision tau Mean, Max : 1.398274167642114E-015 1.022430202100960E-013
Acceptance : 0.457360553097345
Effective Acceptance : 0.457360553097345
Acceptance Tempering : 0.000000000000000E+000
Acceptance_Glob : 0.000000000000000E+000
Mean Phase diff Glob : 0.000000000000000E+000
Max Phase diff Glob : 0.000000000000000E+000
Average cluster size : 0.000000000000000E+000
Average accepted cluster size: 0.000000000000000E+000
CPU Time : 64554.3543860000
Effective number of bins : 226
The text printed through these simulations is very long and has therefore been hidden, but it can be viewed in the website version of this document.
The info files produced by ALF show a “Precision Green” and “Precision Phase” of order \(10^{-14}\) which is very good and much smaller than \(10^{-8}\). In fact one might consider increasing the stabilization interval Nwrap to speed up the simulation.
The produced QMC data will be postprocessed in the next section.
Prepare directories for simulation#
pyALF can also be use to prepare simulation directories without executing ALF, for example to copy the prepared directories to another machine or execute ALF in another way like a scheduler.
The following example prepares the directory for_hpc with subdirectories L{L}/h{h}.
for L in [4, 6, 8, 10]:
for h in [2.5, 3.0, 3.5, 4.0]:
sim = Simulation(
alf_src,
'Nematic_Dirac',
{
# Model specific parameters
'Model_vers': 1, # C_2v model
'L1': L,
'L2': L,
'beta': L*4.,
'Ham_xi': 0.25,
'Ham_h': h,
# QMC parameters
'Ltau': 1,
'CPU_MAX': 24,
'NSweep': 20,
'mpi_per_parameter_set': 1,
# Only put Tempering_calc_det=False if you know what you're doing.
'Tempering_calc_det': False,
},
machine='intel',
mpi=True,
n_mpi=4,
sim_root='for_hpc',
sim_dir=f'L{L}/h{h}'
)
sim.run(only_prep=True)
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L4/h2.5" for Monte Carlo run.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L4/h3.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L4/h3.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L4/h4.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L6/h2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L6/h3.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L6/h3.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L6/h4.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L8/h2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L8/h3.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L8/h3.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L8/h4.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L10/h2.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L10/h3.0" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L10/h3.5" for Monte Carlo run.
Create new directory.
Prepare directory "/home/jonas/dissertation/jb/appendix_nematic_pyalf/for_hpc/L10/h4.0" for Monte Carlo run.
Create new directory.
!tree for_hpc
for_hpc
├── L10
│ ├── h2.5
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.0
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.5
│ │ ├── parameters
│ │ └── seeds
│ └── h4.0
│ ├── parameters
│ └── seeds
├── L4
│ ├── h2.5
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.0
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.5
│ │ ├── parameters
│ │ └── seeds
│ └── h4.0
│ ├── parameters
│ └── seeds
├── L6
│ ├── h2.5
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.0
│ │ ├── parameters
│ │ └── seeds
│ ├── h3.5
│ │ ├── parameters
│ │ └── seeds
│ └── h4.0
│ ├── parameters
│ └── seeds
└── L8
├── h2.5
│ ├── parameters
│ └── seeds
├── h3.0
│ ├── parameters
│ └── seeds
├── h3.5
│ ├── parameters
│ └── seeds
└── h4.0
├── parameters
└── seeds
20 directories, 32 files