def check_value_scalar(self, string, should_be, significance=8, debug=False):
import pyalps
val=pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y[0].mean
err=pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y[0].error
if debug:
print('\n')
print(string+': '+str(val)+' +- '+str(err)+'\t'+str(abs(should_be-val)/max([err,1e-6])))
print('\n')
self.assertLess(abs(should_be-val)/max([err,1e-6]),significance)
def get_vector_data(result_files, what):
'''read data from a VectorObservable into a multidimensional numpy array,
discarding all info except "mean" and "error".
'''
from pyalps.alea import MCScalarData as msd
data_set = pyalps.loadMeasurements(result_files, what=what)
return np.array([[msd(i.mean, i.error) for i in j[0].y] for j in data_set])
def get_scalar_data(result_files, what):
'''read data from a ScalarObservable into a numpy array,
discarding all info except "mean" and "error"
'''
from pyalps.alea import MCScalarData as msd
data_set = pyalps.loadMeasurements(result_files, what=what)
return np.array([msd(i[0].y[0].mean, i[0].y[0].error) for i in data_set])
def read_results_from_file(path, prefix, X, Y, ForEach=None):
"""
Input
------------------
path: path to result files
prefix: prefix filenames (ending out.h5), if ending with a dot (.), only one simulation is assumed
else the separate simulation are identified and merged.
X : string, name of parameter
Y : string, name of observable
returns
-----------------
pyalps X-Y-props list
"""
if prefix[-1]=='.':
dataset= pyalps.loadMeasurements(pyalps.getResultFiles(dirname=path,prefix=prefix),Y)
if ForEach==None:
return pyalps.collectXY(dataset, x=X, y=Y)
else:
return pyalps.collectXY(dataset, x=X, y=Y, foreach=[ForEach])
else:
raise ValueError("Not yet implemented for multiple runs.")
def ReadResults(path, prefix, X, Y):
"""
Input
------------------
path: path to result files
prefix: prefix filenames (ending out.h5), if ending with a dot (.), only one simulation is assumed
else the separate simulation are identified and merged.
X : string, name of parameter
Y : string, name of observable
returns
-----------------
pyalps X-Y-props list
"""
if prefix[-1]=='.':
dataset= pyalps.loadMeasurements(pyalps.getResultFiles(dirname=path,prefix=filename),args.Y)
return pyalps.collectXY(dataset, x=X, y=Y, foreach=['IncNo'])
else:
all_prefixes=[]
for f in os.listdir(path):
if fnmatch.fnmatch(f, prefix+'*.out.h5'):
before_first_dot=f.split('.')[0]+'.'
if before_first_dot not in all_prefixes:
all_prefixes.append(before_first_dot)
datasetsXY = []
for pre in all_prefixes:
tmp_dset= pyalps.loadMeasurements(pyalps.getResultFiles(dirname=path,prefix=pre),args.Y)
datasetsXY.append( pyalps.collectXY(tmp_dset, x=X, y=Y, foreach=['IncNo']) )
for i,dxy in enumerate(datasetsXY[0]): #Take the 1st dataset as reference
rIncNo = dxy.props['IncNo']
for dslist in datasetsXY[1:]:
for dxy2nd in dslist:
if rIncNo == dxy2nd.props['IncNo']:
datasetsXY[0][i] = pyalps.mergeDataSets([datasetsXY[0][i], dxy2nd])
return datasetsXY[0]
def detectDataType(fname):
fname = pyalps.make_list(fname)
# Monte Carlo results
try:
data = pyalps.loadMeasurements(fname)
if len(data[0]) == 0:
raise RuntimeError
for task in data:
for obs in task:
tmp = obs.y[0].error
except (RuntimeError, AttributeError, IndexError):
pass
else:
return compareMC
# mixed type (QWL)
try:
data = pyalps.loadMeasurements(fname)
if len(data[0]) == 0:
raise RuntimeError
except (RuntimeError, AttributeError, IndexError):
pass
else:
return compareMixed
# Epsilon-precise results
try:
data = pyalps.loadEigenstateMeasurements(fname)
except RuntimeError:
pass
else:
return compareEpsilon
raise Exception("Measurement data type couldn't be detected")
name.append(['Energy_normalized','energynormalized'])
name.append(['Specific Heat','specheat'])
name.append(['Specific Heat Conventional','specheatconv'])
name.append(['Specific Heat by FT','specheatft'])
name.append(['Magnetic Susceptibility connected','magsuscon'])
name.append(['Magnetic Susceptibility connected for Scaling','magsusconsca'])
name.append(['Magnetic Susceptibility disconnected','magsusdis'])
name.append(['Magnetic Susceptibility disconnected for Scaling','magsusdissca'])
name.append(['Binder Ratio of Magnetization connected','bindercon'])
name.append(['Binder Ratio of Magnetization disconnected','binderdis'])
name.append(['Binder Ratio of Magnetization 1 connected','binder1con'])
name.append(['Binder Ratio of Magnetization 1 disconnected','binder1dis'])
name.append(['Specific Heat connected','specheatcon'])
for i in range(0,len(name)):
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='LRSW_params'),name[i][0])
for item in pyalps.flatten(data):
item.props['L'] = int(item.props['L'])
graph = pyalps.collectXY(data,x='T',y=name[i][0],foreach=['L'])
graph.sort(key=lambda item: item.props['L'])
f1 = open(name[i][1]+'.plt','w')
f1.write(pyalps.plot.makeGnuplotPlot(graph))
f1.close()
f2 = open(name[i][1]+'.dat','w')
for j in graph:
L=j.props['L']
for k in range(0,len(j.x)):
f2.write(str(L)+' '+str(j.x[k])+' '+str(j.y[k].mean)+' '+str(j.y[k].error)+'\n')
f2.close()
print 'finished to output ' + name[i][1] + '.plt and ' + name[i][1] + '.dat'
import pyalps
import matplotlib.pyplot as plt
import pyalps.plot
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='params'),(['Value']))
value = pyalps.collectXY(data,x='T', y='Value')
plt.figure()
pyalps.plot.plot(value)
plt.xlabel('T')
plt.ylabel('Value')
plt.title('Test Plot')
plt.show()
#prepare the input parameters
parms = [{
'LATTICE': "square lattice",
'MODEL': "spin",
'MEASURE[Correlations]': True,
'MEASURE[Structure Factor]': True,
'MEASURE[Green Function]': True,
'local_S': 0.5,
'T': 0.3,
'J': 1,
'THERMALIZATION': 10000,
'SWEEPS': 500000,
'L': 4,
'h': 0.1
}]
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm4', parms)
res = pyalps.runApplication('dirloop_sse', input_file, Tmin=5)
#load the magnetization and collect it as function of field h
data = pyalps.loadMeasurements(pyalps.getResultFiles())
# print all measurements
for s in pyalps.flatten(data):
if len(s.x) == 1:
print(s.props['observable'], ' : ', s.y[0])
else:
for (x, y) in zip(s.x, s.y):
print(s.props['observable'], x, ' : ', y)
'MAXSTATES' : 100
} ]
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm_spin_one_half',parms)
res = pyalps.runApplication('dmrg',input_file,writexml=True)
#load all measurements for all states
data = pyalps.loadEigenstateMeasurements(pyalps.getResultFiles(prefix='parm_spin_one_half'))
# print properties of the eigenvector:
for s in data[0]:
print(s.props['observable'], ' : ', s.y[0])
# load and plot iteration history
iter = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm_spin_one_half'),
what=['Iteration Energy','Iteration Truncation Error'])
plt.figure()
pyalps.plot.plot(iter[0][0])
plt.title('Iteration history of ground state energy (S=1/2)')
plt.ylim(-15,0)
plt.ylabel('$E_0$')
plt.xlabel('iteration')
plt.figure()
pyalps.plot.plot(iter[0][1])
plt.title('Iteration history of truncation error (S=1/2)')
plt.yscale('log')
plt.ylabel('error')
plt.xlabel('iteration')
def runmain():
ts = np.linspace(0.01, 0.08, 15).tolist()
mus = np.linspace(0, 1, 101).tolist()
# mus = np.linspace(0, 1, 51).tolist()
# mus = np.linspace(0, 0.25, 15).tolist()
# ts = [0.01]
# mus = [mus[1]]
# mus = mus[0:10]
# ts = [ts[0]]
ts = np.linspace(0, 0.01, 11).tolist()
# mus = [0.5]
# ts = [np.linspace(0.01, 0.3, 10).tolist()[2]]
# ts = [0.3]
# ts = np.linspace(0.3, 0.3, 1).tolist()
dims = [len(ts), len(mus)]
ndims = dims + [numsites]
finished = np.empty(dims, dtype=bool)
E0res = np.empty(dims, dtype=object)
fsres = np.empty(dims, dtype=object)
nres = np.empty(dims, dtype=object)
n2res = np.empty(dims, dtype=object)
kres = np.empty(dims, dtype=object)
nires = np.empty(ndims, dtype=object)
ninres = np.empty(ndims, dtype=object)
kires = np.empty(ndims, dtype=object)
start = datetime.datetime.now()
with concurrent.futures.ThreadPoolExecutor(max_workers=numthreads) as executor:
futures = [executor.submit(runmc, i, tmu[0][0], tmu[0][1], tmu[1][0], tmu[1][1]) for i, tmu in
enumerate(zip(itertools.product(ts, mus), itertools.product(range(0, len(ts)), range(0, len(mus)))))]
for future in gprogress(concurrent.futures.as_completed(futures), size=len(futures)):
pass
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix=filenameprefix), measurements)
for d in data:
it = int(d[0].props['it'])
imu = int(d[0].props['imu'])
outfile = d[0].props['filename'][0:-12] + 'out.xml'
tree = ET.parse(outfile)
root = tree.getroot()
finished[it][imu] = root[0].attrib['status'] == 'finished'
for s in d:
for case in switch(s.props['observable']):
if case('Energy'):
E0res[it][imu] = s.y[0]
break
if case('Stiffness'):
fsres[it][imu] = L * s.y[0]
break
if case('Density'):
nres[it][imu] = s.y[0]
break
if case('Density^2'):
n2res[it][imu] = s.y[0]
break
if case('Local Density'):
nires[it][imu] = s.y
break
if case('Local Density * Global Density'):
ninres[it][imu] = s.y
break
kres[it][imu] = beta * (n2res[it][imu] - numsites * (nres[it][imu] ** 2))
kires[it][imu] = beta * (ninres[it][imu] - nires[it][imu] * nres[it][imu])
end = datetime.datetime.now()
resi = sys.argv[1]
if sys.platform == 'darwin':
resfile = '/Users/Abuenameh/Documents/Simulation Results/BH-MC/res.' + str(resi) + '.txt'
elif sys.platform == 'linux2':
resfile = '/home/ubuntu/Dropbox/Amazon EC2/Simulation Results/BH-MC/res.' + str(resi) + '.txt'
resf = open(resfile, 'w')
res = ''
res += 'finished[{0}]={1};\n'.format(resi, mathformat(finished))
res += 'delta[{0}]={1};\n'.format(resi, delta)
# res += 'dres[{0}]={1};\n'.format(resi, d)
res += 'Lres[{0}]={1};\n'.format(resi, L)
res += 'Tres[{0}]={1};\n'.format(resi, T)
res += 'thermres[{0}]={1};\n'.format(resi, thermalization)
res += 'sweepsres[{0}]={1};\n'.format(resi, sweeps)
res += 'limitres[{0}]={1};\n'.format(resi, limit)
res += 'nmax[{0}]={1};\n'.format(resi, nmax)
res += 'nures[{0}]={1};\n'.format(resi, mathformat(nu))
res += 'mures[{0}]={1};\n'.format(resi, mathformat(mus))
res += 'tres[{0}]={1};\n'.format(resi, mathformat(ts))
res += 'E0res[{0}]={1:mean};\n'.format(resi, mathformat(E0res))
res += 'E0reserr[{0}]={1:error};\n'.format(resi, mathformat(E0res))
res += 'fsres[{0}]={1:mean};\n'.format(resi, mathformat(fsres))
res += 'fsreserr[{0}]={1:error};\n'.format(resi, mathformat(fsres))
res += 'nres[{0}]={1:mean};\n'.format(resi, mathformat(nres))
res += 'nreserr[{0}]={1:error};\n'.format(resi, mathformat(nres))
res += 'n2res[{0}]={1:mean};\n'.format(resi, mathformat(n2res))
res += 'n2reserr[{0}]={1:error};\n'.format(resi, mathformat(n2res))
res += 'kres[{0}]={1:mean};\n'.format(resi, mathformat(kres))
res += 'kreserr[{0}]={1:error};\n'.format(resi, mathformat(kres))
res += 'nires[{0}]={1:mean};\n'.format(resi, mathformat(nires))
res += 'nireserr[{0}]={1:error};\n'.format(resi, mathformat(nires))
res += 'ninres[{0}]={1:mean};\n'.format(resi, mathformat(ninres))
res += 'ninreserr[{0}]={1:error};\n'.format(resi, mathformat(ninres))
res += 'kires[{0}]={1:mean};\n'.format(resi, mathformat(kires))
res += 'kireserr[{0}]={1:error};\n'.format(resi, mathformat(kires))
res += 'runtime[{0}]=\"{1}\";\n'.format(resi, end - start)
resf.write(res)
# print '{0}'.format(mathformat(finished))
# print '{0}'.format(mathformat(E0res))
# print '{0}'.format(mathformat(fsres))
# print '{0}'.format(mathformat(kres))
# print '{0}'.format(mathformat(nres))
# print '{0}'.format(mathformat(n2res))
gtk.main_quit()
# SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
# FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
# ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# ****************************************************************************
# Please run the two other tutorials before running this one.
# This tutorial relies on the results created in those tutorials
import pyalps
import matplotlib.pyplot as plt
import pyalps.plot
# load all files
data = pyalps.loadMeasurements(pyalps.getResultFiles(),'Magnetization Density')
#flatten the hierarchical structure
data = pyalps.flatten(data)
#load the magnetization and collect it as function of field h
magnetization = pyalps.collectXY(data,x='h',y='Magnetization Density',foreach=['LATTICE'])
#make plot
plt.figure()
pyalps.plot.plot(magnetization)
plt.xlabel('Field $h$')
plt.ylabel('Magnetization $m$')
plt.ylim(0.0,0.5)
plt.legend()
plt.show()
val_list = val_list + no_error_val
label = args.label
if not pq in val_list:
cmd.write('The physical quantity you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
if not label in no_error_val:
cmd.write('The label you inputted do not exist or cannot use.\n')
cmd.write('You should choose this list, ' + str(no_error_val) + '\n')
sys.exit(1)
cmd.write('Start Z-Hypothesis for beta_1 written in ALPS wiki.\n')
data = pyalps.loadMeasurements(read_file, args.y)
css = pyalps.checkSteadyState(data, confidenceInterval=args.gamma)
if args.debug:
cmd.write(str(css))
stat_list = []
tf = 0
lb = ['# ' + label]
i = 0
z0_wiki = norm.ppf(0.5+0.5*args.gamma)
for ds in css:
qs = ds.props['checkSteadyState']
qs = qs['statistics']
if qs['z'] <= z0_wiki:
tf = 1
else:
FILENAME=sys.argv[-1]
ar=pyalps.h5.archive(FILENAME,'r')
try:
CLONE_NR=re.match('.*clone(.*)\..*',sys.argv[-1]).group(1)
except:
print('Regex failed...')
exit()
data= ar['simulation/realizations/0/clones/'+str(CLONE_NR)+'/results/']
spins =data['Last Configuration']['mean']['value']
coords =data['Coordinates']['mean']['value']
is_deleted=data['Is Deleted']['mean']['value']
T=ar['parameters/T']
if SSF:
FILENAME=sys.argv[-1]
data=pyalps.ResultsToXY(pyalps.loadMeasurements([FILENAME],['Last Configuration']),x='EXMC: Temperature',y='Last Configuration')[0]
spins=data.y
if EXMC:
FILENAME=sys.argv[-2]
ar=pyalps.h5.archive(FILENAME,'r')
data= ar['simulation/realizations/0/clones/0/results/sections/'+sys.argv[-1]]
T =data['EXMC: Temperature']['mean']['value']
spins =data['Last Configuration']['mean']['value']
coords =data['Coordinates']['mean']['value']
is_deleted=data['Is Deleted']['mean']['value']
if ('--save' in sys.argv):
SAVE=True
SAVENAME=FILENAME[:-3]
if(EXMC):
SAVENAME=SAVENAME+'.sector'+((sys.argv[-1]).rjust(4,str(0)))
print('Accepted moves:', sim.accepted)
analysis = analyzer.Analyzer(model=model)
#==============================================================================
# DATA ANALYSIS
#==============================================================================
#how to calculate the Binder Ratio within Python:
resultsDir = data_directory
dataLocationPattern = data_directory+str(model)
infiles=pyalps.getResultFiles(pattern=dataLocationPattern)
data = pyalps.loadMeasurements(pyalps.getResultFiles(pattern=dataLocationPattern+'*'),['E','m^2', 'm^4'])
m2 = pyalps.collectXY(data,x='BETA',y='m^2',foreach=['L'])
m4 = pyalps.collectXY(data,x='BETA',y='m^4',foreach=['L'])
E = pyalps.collectXY(data,x='BETA',y='E',foreach=['L'])
m2plot = []
eplot = []
u4=[]
for i in range(len(m2)):
d = pyalps.DataSet()
d.propsylabel='U4'
d.props = m2[i].props
d.x= m2[i].x
d.y = m4[i].y/m2[i].y/m2[i].y
u4.append(d)
'Number of Clusters' : 'cluster',
}
xnames = [ 'L', ]
foreachs = [ ['T'], ]
fe_types = [ [np.float], ]
def extract(data, xname, names, foreach, fe_types):
if np.isscalar(foreach):
foreach = [foreach]
if np.isscalar(fe_types):
fe_types = [fetypes]
for name in names:
for obs in pyalps.collectXY(data, xname, name, foreach=foreach):
vals = [ typ(obs.props[sym]) for sym, typ in zip(foreach, fe_types) ]
filename = names[name]
for sym, val in zip(foreach, vals):
filename += '-{}{}'.format(sym,val)
filename += '.dat'
with open(filename, 'w') as f:
f.write(plot.convertToText([obs]).replace(' +/- ', ' '))
result_files = pyalps.getResultFiles(prefix='params')
data = pyalps.loadMeasurements(result_files, names.keys())
for xname, fe, fet in zip(xnames, foreachs, fe_types):
extract(data, xname, names, fe, fet)
'THERMALIZATION': 5000,
'SWEEPS' : 50000,
'ALGORITHM' : "loop",
# 'MEASURE[Winding Number]': 1,
# 'MEASURE_CORRELATIONS[Diagonal spin correlations]':"Sz",
}
)
#write the input file and run the simulation
input_file = pyalps.writeInputFiles(os.path.join(os.getcwd(), temp, timestamp, lattice_name), parms)
pyalps.runApplication('loop', input_file, writexml=True)
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix=lattice_name))
results = 'results'
try:
os.mkdir(results)
except:
pass
file_name = os.path.join(results, lattice_name + "_beta_{beta}_Nx_{Nx}_Ny_{Ny}_J_{J}_J1_{J1}.xml".format(beta=beta,
Nx=Nx,
Ny=Ny,
J=J,
J1=J1))
d_xml = data2xml.DataToXML(data=data, looper=True, lattice=LATTICE_LIBRARY)
]:
parms.append({
'LATTICE': "ladder",
'T': t,
'J0': -1,
'J1': -1,
'THERMALIZATION': 10000,
'SWEEPS': 500000,
'UPDATE': "cluster",
'MODEL': "Heisenberg",
'L': 60
})
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm2b', parms)
pyalps.runApplication('spinmc', input_file, Tmin=5)
#load the susceptibility and collect it as function of temperature T
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm2b'),
'Susceptibility')
susceptibility = pyalps.collectXY(data, x='T', y='Susceptibility')
#make plot
plt.figure()
pyalps.plot.plot(susceptibility)
plt.xlabel('Temperature $T/J$')
plt.ylabel('Susceptibility $\chi J$')
plt.ylim(0, 0.22)
plt.title('Heisenberg ladder')
plt.show()
input_file = pyalps.writeInputFiles('parm',parms)
#pyalps.runApplication('mc++',input_file,Tmin=5)
# use the following instead if you have MPI
pyalps.runApplication('mc++',input_file,Tmin=5,MPI=1)
def f_alpha(Le, Lo, b=2, d=2):
return 2-d*log(b)/log(Le)
def f_beta(Le, Lo, b=2, d=2):
return (d*log(b)-log(Lo))/log(Le)
def f_gamma(Le, Lo, b=2, d=2):
return log(b)/log(Le)*(2*log(Lo)/log(b)-d)
def f_nu(Le, Lo, b=2, d=2):
return log(b)/log(Le)
#load the susceptibility and collect it as function of temperature T
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),['M', 'c_V', 'BinderCumulant', 'susceptibility'])
Tc0=2.269
Tc_min=2
Tc_max=2.5
le0=2
le_min=1.
le_max=10
lo0=3.66802
lo_min=1
lo_max=15
alpha0=f_alpha(le0,lo0,d=2)
beta0 =f_beta(le0,lo0,d=2)
gamma0=f_gamma(le0,lo0,d=2)
nu0 =f_nu(le0,lo0,d=2)
def check_data_length(self,string,should_be, output=False):
import pyalps
l=len(pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y)
self.assertEqual(l,should_be)
parms.append({
'LATTICE': "ladder",
'MODEL': "spin",
'local_S': 0.5,
'T': 0.08,
'J0': 1,
'J1': 1,
'THERMALIZATION': 1000,
'SWEEPS': 10000,
'L': 20,
'h': h
})
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm3b', parms)
res = pyalps.runApplication('dirloop_sse', input_file, Tmin=5)
#load the magnetization and collect it as function of field h
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm3b'),
'Magnetization Density')
magnetization = pyalps.collectXY(data, x='h', y='Magnetization Density')
#make plot
plt.figure()
pyalps.plot.plot(magnetization)
plt.xlabel('Field $h$')
plt.ylabel('Magnetization $m$')
plt.ylim(0.0, 0.5)
plt.title('Quantum Heisenberg ladder')
plt.show()
def check_has_observable(self,string, output=False):
import pyalps
self.assertGreater(len(pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0]), 0)
})
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm1', parms)
pyalps.runApplication('spinmc', input_file, Tmin=5, writexml=True)
#get the list of result files
result_files = pyalps.getResultFiles(prefix='parm1')
print("Loading results from the files: ", result_files)
#print the observables stored in those files:
print("The files contain the following mesurements:", end=' ')
print(pyalps.loadObservableList(result_files))
#load a selection of measurements:
data = pyalps.loadMeasurements(result_files,
['|Magnetization|', 'Magnetization^2'])
#make a plot for the magnetization: collect Magnetziation as function of T
plotdata = pyalps.collectXY(data, 'T', '|Magnetization|')
plt.figure()
pyalps.plot.plot(plotdata)
plt.xlim(0, 3)
plt.ylim(0, 1)
plt.title('Ising model')
plt.show()
# convert the data to text file for plotting using another tool
print(pyalps.plot.convertToText(plotdata))
# convert the data to grace file for plotting using xmgrace
print(pyalps.plot.makeGracePlot(plotdata))
# SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
# FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
# ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# ****************************************************************************
# Please run all four other tutorials before running this one.
# This tutorial relies on the results created in those tutorials
import pyalps
import matplotlib.pyplot as plt
import pyalps.plot
# load all files
data = pyalps.loadMeasurements(pyalps.getResultFiles(), 'Susceptibility')
#flatten the hierarchical structure
data = pyalps.flatten(data)
# collect the susceptibility
susceptibility = pyalps.collectXY(data,
x='T',
y='Susceptibility',
foreach=['MODEL', 'LATTICE'])
# assign labels to the data depending on the properties
for s in susceptibility:
# print s.props
if s.props['LATTICE'] == 'chain lattice':
s.props['label'] = "chain"
# Write into XML input file:
input_file = pyalps.writeInputFiles('mc01b',parms)
# and run the application spinmc:
pyalps.runApplication('spinmc', input_file, Tmin=10, writexml=True)
# We first get the list of all hdf5 result files via:
files = pyalps.getResultFiles(prefix='mc01b')
# and then extract, say the timeseries of the |Magnetization| measurements:
ts_M = pyalps.loadTimeSeries(files[0], '|Magnetization|');
# We can then visualize graphically:
import matplotlib.pyplot as plt
plt.plot(ts_M)
plt.show()
# ALPS Python provides a convenient tool to check whether a measurement observable(s) has (have) reached steady state equilibrium.
#
# Here is one example:
print pyalps.checkSteadyState(outfile=files[0], observable='|Magnetization|', confidenceInterval=0.95)
print
# and another one:
observables = pyalps.loadMeasurements(files, ['|Magnetization|', 'Energy'])
observables = pyalps.checkSteadyState(observables, confidenceInterval=0.95)
for o in observables:
print '{}:\t{}'.format(o.props['observable'], o.props['checkSteadyState'])
def check_value_vector(self, string, index, should_be, significance=8):
import pyalps
val=pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y.mean[index]
err=pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y.error[index]
self.assertLess(abs(should_be-val)/max(err,1e-6),significance)
# Preparing and running the simulation using Python
import pyalps
parms = [{
'LATTICE': 'inhomogeneous simple cubic lattice',
'L': 120,
'MODEL': 'boson Hubbard',
'Nmax': 20,
't': 1.,
'U': 8.11,
'mu':
'4.05 - (0.0073752*(x-(L-1)/2.)*(x-(L-1)/2.) + 0.0036849*(y-(L-1)/2.)*(y-(L-1)/2.) + 0.0039068155*(z-(L-1)/2.)*(z-(L-1)/2.))',
'T': 1.,
'THERMALIZATION': 1500,
'SWEEPS': 7000,
'SKIP': 50,
'MEASURE[Local Density]': 1
}]
input_file = pyalps.writeInputFiles('parm2a', parms)
res = pyalps.runApplication('dwa', input_file)
# Evaluating and plotting in Python
import pyalps
import pyalps.plot as aplt
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm2a'),
'Local Density')
aplt.plot3D(data, centeredAtOrigin=True)
def check_no_double_values(self,string, output=False):
import pyalps
from numpy import diff, sort
val=pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),[string])[0][0].y
if len(val)>1:
self.assertGreater(min(diff(sort(abs(val)))),1e-10)
input_file = pyalps.writeInputFiles('parm1',parms)
# The queue is loaded from a configuration file which should either be located in the execution directory or in ~/.batchq/configuration
q = load_queue(LSFBSub, "brutus")
desc = runApplicationBackground('spinmc',input_file,Tmin=5,writexml=True, queue = q, force_resubmit = False )
if not desc.finished():
print "Your simulations has not yet ended, please run this command again later."
else:
if desc.failed():
print "Your submission has failed"
sys.exit(-1)
result_files = pyalps.getResultFiles(prefix='parm1')
print result_files
print pyalps.loadObservableList(result_files)
data = pyalps.loadMeasurements(result_files,['|Magnetization|','Magnetization^2'])
print data
plotdata = pyalps.collectXY(data,'T','|Magnetization|')
plt.figure()
pyalps.plot.plot(plotdata)
plt.xlim(0,3)
plt.ylim(0,1)
plt.title('Ising model')
plt.show()
print pyalps.plot.convertToText(plotdata)
print pyalps.plot.makeGracePlot(plotdata)
print pyalps.plot.makeGnuplotPlot(plotdata)
binder = pyalps.DataSet()
binder.props = pyalps.dict_intersect([d[0].props for d in data])
binder.x = [d[0].props['T'] for d in data]
binder.y = [d[1].y[0]/(d[0].y[0]*d[0].y[0]) for d in data]
'J0' : 1 ,
'J1' : 1,
'J2' : j2,
'THERMALIZATION' : 5000,
'SWEEPS' : 50000,
'MODEL' : "spin",
'L' : 8,
'W' : 4
}
)
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('mc08a',parms)
pyalps.runApplication('loop',input_file)
data = pyalps.loadMeasurements(pyalps.getResultFiles(pattern='mc08a.task*.out.h5'),['Staggered Susceptibility','Susceptibility'])
susc1=pyalps.collectXY(data,x='T',y='Susceptibility', foreach=['J2'])
lines = []
for data in susc1:
pars = [fw.Parameter(1), fw.Parameter(1)]
data.y= data.y[data.x < 1]
data.x= data.x[data.x < 1]
f = lambda self, x, pars: (pars[0]()/np.sqrt(x))*np.exp(-pars[1]()/x)
fw.fit(None, f, pars, [v.mean for v in data.y], data.x)
prefactor = pars[0].get()
gap = pars[1].get()
print prefactor,gap
lines += plt.plot(data.x, f(None, data.x, pars))
lines[-1].set_label('$J_2=%.4s$: $\chi = \frac{%.4s}{T}\exp(\frac{-%.4s}{T})$' % (data.props['J2'], prefactor,gap))
cmd.write('no_error_val is ' + str(no_error_val) + '\n')
cmd.write('x_val is ' + x_val + '\n')
cmd.write('y_val is ' + y_val + '\n')
if not x_val in val_list:
cmd.write('The X-value you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
elif not y_val in val_list:
cmd.write('The Y-value you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
#XML data file -> gnuplot-form text
cmd.write('Start to convert the files XML to gnuplot-form.\n')
data = pyalps.loadMeasurements(read_file, y_val)
data = pyalps.flatten(data)
xy_data = pyalps.collectXY(data, x_val, y_val)
gnu_xy_data = pyalps.plot.makeGnuplotPlot(xy_data)
if args.debug:
cmd.write(str(gnu_xy_data))
cmd.write('Finish to convert the files XML to gnuplot-form.\n')
#gnuplot-form text -> csv-form text
cmd.write('Start to convert the files gnuplot-form to CSV.\n')
temp_file = '__tmp_replace__.dat'
f = open(temp_file, 'w')
f.write(gnu_xy_data)
f.close()
head_x = x_val
plt.figure()
plt.xlabel(r'$\tau$')
plt.ylabel(r'$G_{flavor=0}(\tau)$')
plt.title('Simulation at ' +
r'$\beta = {beta}$'.format(beta=common_props['BETA']))
pyalps.plot.plot(sim)
plt.legend()
plt.show()
#################################################
## Display final occupation <n_{flavor=0}>
#################################################
## load the final iteration of G_{flavor=0}(tau)
data_G_tau = pyalps.loadMeasurements(res_files,
respath='/simulation/results/G_tau',
what=listobs,
verbose=False)
print("Occupation in the last iteration at flavor=0")
for d in pyalps.flatten(data_G_tau):
# obtain occupation using relation: <n_{flavor=0}> = -<G_{flavor=0}(tau=beta)>
d.y = np.array([-d.y[-1]])
print("n_0(beta =", d.props['BETA'], ") =", d.y[0])
d.x = np.array([0])
d.props['observable'] = 'occupation'
occupation = pyalps.collectXY(data_G_tau, 'BETA', 'occupation')
for d in occupation:
d.props['line'] = "scatter"
plt.figure()
print '# L:', L, 'N:', N
# Scan beta range [0,1] in steps of 0.1
for beta in [0., .1, .2, .3, .4, .5, .6, .7, .8, .9, 1.]:
for l in [4, 6, 8]:
print '-----------'
print 'beta =', beta
sim = Simulation(beta, l)
sim.run(N / 2, N)
sim.save('ising.L_' + str(l) + 'beta_' + str(beta) + '.h5')
#how to calculate the Binder Ratio within Python:
infiles = pyalps.getResultFiles(pattern='ising.L')
data = pyalps.loadMeasurements(pyalps.getResultFiles(pattern='ising.L*'),
['E', 'm^2', 'm^4'])
m2 = pyalps.collectXY(data, x='BETA', y='m^2', foreach=['L'])
m4 = pyalps.collectXY(data, x='BETA', y='m^4', foreach=['L'])
u = []
for i in range(len(m2)):
d = pyalps.DataSet()
d.propsylabel = 'U4'
d.props = m2[i].props
d.x = m2[i].x
d.y = m4[i].y / m2[i].y / m2[i].y
u.append(d)
plt.figure()
pyalps.plot.plot(u)
plt.xlabel('Inverse Temperature $\\beta$')
cmd.write('no_error_val is ' + str(no_error_val) + '\n')
cmd.write('x_val is ' + x_val + '\n')
cmd.write('y_val is ' + y_val + '\n')
if not x_val in val_list:
cmd.write('The X-value you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
elif not y_val in val_list:
cmd.write('The Y-value you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
#XML data file -> gnuplot-form text
cmd.write('Start to convert the files XML to gnuplot-form.\n')
data = pyalps.loadMeasurements(read_file, y_val)
data = pyalps.flatten(data)
xy_data = pyalps.collectXY(data, x_val, y_val)
gnu_xy_data = pyalps.plot.makeGnuplotPlot(xy_data)
if args.debug:
cmd.write(str(gnu_xy_data))
cmd.write('Finish to convert the files XML to gnuplot-form.\n')
#gnuplot-form text -> csv-form text
cmd.write('Start to convert the files gnuplot-form to CSV.\n')
temp_file = '__tmp_replace__.dat'
f = open(temp_file, 'w')
f.write(gnu_xy_data)
f.close()
head_x = x_val
'UPDATE' : "cluster",
'MODEL' : "Ising",
'L' : l
}
)
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm7a',parms)
pyalps.runApplication('spinmc',input_file,Tmin=5)
# use the following instead if you have MPI
#pyalps.runApplication('spinmc',input_file,Tmin=5,MPI=2)
pyalps.evaluateSpinMC(pyalps.getResultFiles(prefix='parm7a'))
#load the susceptibility and collect it as function of temperature T
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm7a'),['|Magnetization|', 'Connected Susceptibility', 'Specific Heat', 'Binder Cumulant', 'Binder Cumulant U2'])
magnetization_abs = pyalps.collectXY(data,x='T',y='|Magnetization|',foreach=['L'])
connected_susc = pyalps.collectXY(data,x='T',y='Connected Susceptibility',foreach=['L'])
spec_heat = pyalps.collectXY(data,x='T',y='Specific Heat',foreach=['L'])
binder_u4 = pyalps.collectXY(data,x='T',y='Binder Cumulant',foreach=['L'])
binder_u2 = pyalps.collectXY(data,x='T',y='Binder Cumulant U2',foreach=['L'])
#make plots
plt.figure()
pyalps.plot.plot(magnetization_abs)
plt.xlabel('Temperature $T$')
plt.ylabel('Magnetization $|m|$')
plt.title('2D Ising model')
plt.figure()
pyalps.plot.plot(connected_susc)
val_list = val_list + no_error_val
label = args.label
if not pq in val_list:
cmd.write('The physical quantity you inputted do not exist.\n')
cmd.write('You should choose this list, ' + str(val_list) + '\n')
sys.exit(1)
if not label in no_error_val:
cmd.write('The label you inputted do not exist or cannot use.\n')
cmd.write('You should choose this list, ' + str(no_error_val) + '\n')
sys.exit(1)
cmd.write('Start Z-Hypothesis for beta_1 written in ALPS wiki.\n')
data = pyalps.loadMeasurements(read_file, args.y)
css = pyalps.checkSteadyState(data, confidenceInterval=args.gamma)
if args.debug:
cmd.write(str(css))
stat_list = []
tf = 0
lb = ['# ' + label]
i = 0
z0_wiki = norm.ppf(0.5 + 0.5 * args.gamma)
for ds in css:
qs = ds.props['checkSteadyState']
qs = qs['statistics']
if qs['z'] <= z0_wiki:
tf = 1
else:
return x_values, y_values, y_errors
parser = argparse.ArgumentParser(description='Evaluate Renyi entropies for range of L', epilog='(C) Johannes Helmes 2014')
parser.add_argument('--infile','-i', help='Prefix of result files',required=True)
parser.add_argument('--foreach','-f',default='h',help='Parameter name, (default h)')
parser.add_argument('--steps','-s',nargs=2,type=int,help='Number of increment steps to complete U and O, (default=1/2 1)')
parser.add_argument('--plot','-p',action='store_true')
parser.add_argument('--verbose','-v',action='store_true')
args=parser.parse_args()
REntropy={}
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix=args.infile),['EG'])
if args.verbose:
print data
renyi_dataG = pyalps.collectXY(data, x='IncNo', y='EG', foreach=[args.foreach])
if args.verbose:
print renyi_dataG
if (args.steps!=None):
IncNosIItoU=range(args.steps[0])
IncNosUtoO=range(args.steps[0],args.steps[1])
#IncNos = [%.1f % i for i in range(args.IncNoRange[0], args.IncNoRange[1])]
print IncNosIItoU, IncNosUtoO
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
# FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT
# SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
# FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
# ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
# DEALINGS IN THE SOFTWARE.
#
# ****************************************************************************
import pyalps
import pyalps.plot as alpsplot
import matplotlib.pyplot as pyplot
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm9a'), [
'Specific Heat', 'Magnetization Density^2', 'Binder Ratio of Magnetization'
])
for item in pyalps.flatten(data):
item.props['L'] = int(item.props['L'])
magnetization2 = pyalps.collectXY(data,
x='T',
y='Magnetization Density^2',
foreach=['L'])
magnetization2.sort(key=lambda item: item.props['L'])
specificheat = pyalps.collectXY(data, x='T', y='Specific Heat', foreach=['L'])
specificheat.sort(key=lambda item: item.props['L'])
binderratio = pyalps.collectXY(data,
x='T',
'THERMALIZATION' : 500,
'U' : u,
'J' : j,
't0' : 0.5,
't1' : 1
}
)
# For more precise calculations we propose to enhance the SWEEPS
#write the input file and run the simulation
for p in parms:
input_file = pyalps.writeParameterFile('parm_u_'+str(p['U'])+'_j_'+str(p['J']),p)
res = pyalps.runDMFT(input_file)
listobs = ['0', '2'] # flavor 0 is SYMMETRIZED with 1, flavor 2 is SYMMETRIZED with 3
data = pyalps.loadMeasurements(pyalps.getResultFiles(pattern='parm_u_*h5'), respath='/simulation/results/G_tau', what=listobs, verbose=True)
for d in pyalps.flatten(data):
d.x = d.x*d.props["BETA"]/float(d.props["N"])
d.y = -d.y
d.props['label'] = r'$U=$'+str(d.props['U'])+'; flavor='+str(d.props['observable'][len(d.props['observable'])-1])
plt.figure()
plt.yscale('log')
plt.xlabel(r'$\tau$')
plt.ylabel(r'$G_{flavor}(\tau)$')
plt.title('DMFT-05: Orbitally Selective Mott Transition on the Bethe lattice')
pyalps.plot.plot(data)
plt.legend()
plt.show()
def compareMC(testfiles, reffiles, tol_factor='auto', whatlist=None):
""" Compare results of Monte Carlo Simulations
returns True if test succeeded"""
if tol_factor == 'auto':
tol_factor = 2.0
testdata = pyalps.loadMeasurements(testfiles)
refdata = pyalps.loadMeasurements(reffiles)
if len(testdata) != len(refdata):
raise Exception(
"Comparison Error: test and reference data differ in number of tasks"
)
# File level
compare_list = []
for testtask, reftask in zip(testdata, refdata):
testfile = testtask[0].props['filename']
reffile = reftask[0].props['filename']
# Ensure we compare equivalent tasks
if len(testtask) != len(reftask):
raise Exception("Comparison Error: test and reference data have \
different number of observables\n\
(Have both reference and test data been evaluated?)")
# Observables
# Select only observables from whatlist if specified
if whatlist:
notfoundtest = [
w for w in whatlist
if w not in [o.props['observable'] for o in testtask]
]
if notfoundtest:
print(
"The following observables specified for comparison\nhave not been found in test results:"
)
print("File:", testfile)
print(notfoundtest)
sys.exit(1)
notfoundref = [
w for w in whatlist
if w not in [o.props['observable'] for o in reftask]
]
if notfoundref:
print(
"The following observables specified for comparison\nhave not been found in reference results:"
)
print("File:", reffile)
print(notfoundref)
sys.exit(1)
testtask = [
o for o in testtask if o.props['observable'] in whatlist
]
reftask = [o for o in reftask if o.props['observable'] in whatlist]
#print("\ncomparing file " + testfile + " against file " + reffile)
compare_obs = []
for testobs, refobs in zip(testtask, reftask):
# Scalar observables
if pyalps.size(testobs.y[0]) == 1:
testerr = testobs.y[0].error
referr = refobs.y[0].error
tol = np.sqrt(testerr**2 + referr**2) * tol_factor
diff = np.abs(testobs.y[0].mean - refobs.y[0].mean)
compare_obs.append(obsdict(tol, diff, testobs.props))
# Array valued observables
else:
tol_list = []
diff_list = []
for (ty, ry) in zip(testobs.y[0], refobs.y[0]):
tol_list.append(
np.sqrt(ty.error**2 + ry.error**2) * tol_factor)
diff_list.append(np.abs(ty - ry))
maxdiff = max(diff_list)
tol = tol_list[diff_list.index(maxdiff)] * tol_factor
compare_obs.append(obsdict(tol, maxdiff, testobs.props))
compare_list.append(compare_obs)
#writeTest2stdout(compare_list) # or a file, if that has been specified
succeed_list = [
obs['passed'] for obs_list in compare_list for obs in obs_list
]
return False not in succeed_list, compare_list
'J0': 1,
'J1': 1,
'J2': j2,
'THERMALIZATION': 5000,
'SWEEPS': 50000,
'MODEL': "spin",
'L': l,
'W': l / 2
})
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('mc08b', parms)
pyalps.runApplication('loop', input_file)
data = pyalps.loadMeasurements(
pyalps.getResultFiles(pattern='mc08b.task*.out.h5'),
['Binder Ratio of Staggered Magnetization', 'Stiffness'])
binder = pyalps.collectXY(data,
x='J2',
y='Binder Ratio of Staggered Magnetization',
foreach=['L'])
stiffness = pyalps.collectXY(data, x='J2', y='Stiffness', foreach=['L'])
for q in stiffness:
q.y = q.y * q.props['L']
#make plot
plt.figure()
pyalps.plot.plot(stiffness)
plt.xlabel(r'$J2$')
import sys, os
import numpy as np
import matplotlib.pyplot as plt
import pyalps
from pyalps.plot import plot
files = pyalps.getResultFiles(dirname='data')
data = pyalps.loadMeasurements(files , ['|m|','m^2', 'Connected Susceptibility', 'Binder Cumulant U2'])
for d in pyalps.flatten(data):
d.props['M/L'] = d.props['M'] / d.props['L']
m = pyalps.collectXY(data, 'Jx', '|m|', foreach=['L', 'M'])
chi = pyalps.collectXY(data, 'Jx', 'Connected Susceptibility', foreach=['L', 'M'])
binder = pyalps.collectXY(data, 'Jx', 'Binder Cumulant U2', foreach=['L', 'M'])
for d in pyalps.flatten(m):
d.x = np.exp(2.*d.props['Jy'])*d.x
plt.figure()
plot(m)
plt.xlabel('$J/\\Gamma$')
plt.ylabel('magnetization')
plt.legend(loc='best', frameon=False)
for d in pyalps.flatten(chi):
d.x = np.exp(2.*d.props['Jy'])*d.x
plt.figure()
plot(chi)
def compareMixed(testfiles, reffiles, tol_factor='auto', whatlist=None):
""" Compare results of QWL, DMRG (ALPS)
returns True if test succeeded"""
if tol_factor == 'auto':
tol_factor = 2.0
testdata = pyalps.loadMeasurements(testfiles)
refdata = pyalps.loadMeasurements(reffiles)
if len(testdata) != len(refdata):
raise Exception(
"Comparison Error: test and reference data differ in number of tasks"
)
# This is needed by the dmrg example
try:
testeig = pyalps.loadEigenstateMeasurements(testfiles)
refeig = pyalps.loadEigenstateMeasurements(reffiles)
for ttask, rtask, teig, reig in zip(testdata, refdata, testeig,
refeig):
ttask += teig
rtask += reig
except RuntimeError:
pass
# File level
compare_list = []
for testtask, reftask in zip(testdata, refdata):
testfile = testtask[0].props['filename']
reffile = reftask[0].props['filename']
# Ensure we compare equivalent tasks
if len(testtask) != len(reftask):
raise Exception("Comparison Error: test and reference data have \
different number of observables\n")
# Observables
# Select only observables from whatlist if specified
if whatlist:
notfoundtest = [
w for w in whatlist
if w not in [o.props['observable'] for o in testtask]
]
if notfoundtest:
print(
"The following observables specified for comparison\nhave not been found in test results:"
)
print("File:", testfile)
print(notfoundtest)
sys.exit(1)
notfoundref = [
w for w in whatlist
if w not in [o.props['observable'] for o in reftask]
]
if notfoundref:
print(
"The following observables specified for comparison\nhave not been found in reference results:"
)
print("File:", reffile)
print(notfoundref)
sys.exit(1)
testtask = [
o for o in testtask if o.props['observable'] in whatlist
]
reftask = [o for o in reftask if o.props['observable'] in whatlist]
#print("\ncomparing file " + testfile + " against file " + reffile)
compare_obs = []
for testobs, refobs in zip(testtask, reftask):
# MC if it succeeds
try:
# Scalar observables
if pyalps.size(testobs.y) == 1:
testerr = testobs.y[0].error
referr = refobs.y[0].error
tol = np.sqrt(testerr**2 + referr**2) * tol_factor
diff = np.abs(testobs.y[0].mean - refobs.y[0].mean)
compare_obs.append(obsdict(tol, diff, testobs.props))
# Array valued observables
else:
tol_list = []
diff_list = []
for (ty, ry) in zip(testobs.y, refobs.y):
tol_list.append(
np.sqrt(ty.error**2 + ry.error**2) * tol_factor)
diff_list.append(np.abs(ty - ry))
maxdiff = max(diff_list)
tol = tol_list[diff_list.index(maxdiff)] * tol_factor
compare_obs.append(obsdict(tol, maxdiff, testobs.props))
# Epsilon otherwise
except AttributeError:
# Scalar observables
if pyalps.size(testobs.y) == 1:
tol = max(10e-12,
np.abs(refobs.y[0]) * 10e-12) * tol_factor
diff = np.abs(testobs.y[0] - refobs.y[0])
compare_obs.append(obsdict(tol, diff, testobs.props))
# Array valued observables
else:
tol_list = []
diff_list = []
for (ty, ry) in zip(testobs.y, refobs.y):
tol_list.append(max(10e-12, ry * 10e-12))
diff_list.append(np.abs(ty - ry))
maxdiff = max(diff_list)
tol = tol_list[diff_list.index(maxdiff)] * tol_factor
compare_obs.append(obsdict(tol, maxdiff, testobs.props))
compare_list.append(compare_obs)
#writeTest2stdout(compare_list) # or a file, if that has been specified
succeed_list = [
obs['passed'] for obs_list in compare_list for obs in obs_list
]
return False not in succeed_list, compare_list
def get_vector_mean(result_files, what):
'''read only means from a VectorObservable into a multidimensional numpy array.
'''
data_set = pyalps.loadMeasurements(result_files, what=what)
return np.array([i[0].y.mean for i in data_set])
def createTest(script, inputs=None, outputs=None, prefix=None, refdir='./ref'):
""" Create reference data, .testin.xml file and execute_test.py
inputs are:
-----------
script: computes results to be tested
inputs: Optional list of input files if the application(s)
called in 'script' rely on them and the input files are in the
same directory as 'script'. If you specified
relative paths to another directory, it won't work.
outputs or prefix: outputs of script can either be specified with
a complete list of output files or as a prefix
creates a script called apptest_name_of_script.py, which can be used to execute the test
"""
if outputs is not None and prefix is not None:
raise Exception("Cannot both define outputs and prefix")
elif outputs is None and prefix is None:
raise Exception("Script output has to be specified")
script = os.path.expandvars(script)
scriptdir = os.path.dirname(script)
if not os.path.exists(refdir): recursive_mkdir(refdir)
# Copy input files to refdir to allow execution of script there
if inputs is not None:
for f in inputs:
if not os.path.expandvars(os.path.dirname(f)) == scriptdir:
print(
"Input files to %s should be in the same directory as %s" %
(script, script))
sys.exit(1)
shutil.copy(f, refdir)
# execute given script in refdir ( creates reference data )
pardir = os.getcwd()
os.chdir(refdir)
cmdline = [sys.executable, os.path.join(pardir, script)]
pyalps.executeCommand(cmdline)
if inputs is not None:
for f in inputs:
os.remove(f)
os.chdir(pardir)
if prefix is None:
reffiles = [os.path.join(refdir, os.path.basename(f)) for f in outputs]
else:
reffiles = pyalps.getResultFiles(prefix=prefix, dirname=refdir)
if not reffiles:
print(
"Reference files not found. (If you use 'loop' or 'dmrg', try to delete old result files.)"
)
sys.exit(1)
# acquire a list of all observables
allobs = []
try:
eigenstatedata = pyalps.loadEigenstateMeasurements(reffiles)
except RuntimeError:
pass
else:
try:
allobs += [o.props['observable'] for o in eigenstatedata[0][0]]
# DMRG eigenstate data has one level of nesting less
except TypeError:
allobs += [o.props['observable'] for o in eigenstatedata[0]]
try:
mcdata = pyalps.loadMeasurements(reffiles)
except RuntimeError:
pass
else:
allobs += [o.props['observable'] for o in mcdata[0]]
allobs = list(set(allobs))
scriptname = os.path.basename(script)
scriptname = os.path.splitext(scriptname)[0]
scriptname_prefixed = 'apptest_%s.py' % scriptname
# Write .xml test-input file
refparms = {
"TESTNAME": scriptname,
"TOLERANCE": "auto",
"WRITE_RESULTS_TO_FILE": "yes",
"SAVE_OUT_IF_FAIL": "yes"
}
testinputfile = writeTestInputFile(script, inputs, refparms, reffiles,
allobs)
pyalps.tools.copyStylesheet(pardir)
# Write .py test-start script
f = open(scriptname_prefixed, 'w')
f.write('#!/usr/bin/env python\n\n')
f.write('import sys\n')
f.write('from pyalps import apptest\n')
f.write(
'# Explicitly specify "compMethod=..." and "outputs=..." if needed\n')
f.write(
"ret = apptest.runTest( '%s', outputs='auto', compMethod='auto', pyexec='auto' )\n"
% testinputfile)
f.write('if not ret: sys.exit(1)\n')
f.close()
os.chmod(scriptname_prefixed, 0o755)
'THERMALIZATION' : 50000,
'SWEEPS' : 15000,
'UPDATE' : "ssf",
'cutoff_distance': 3.0,
'L' : l,
'structure_factor': True,
'Targeted Acceptance Ratio': 0.4,
'Each_Measurement': 15
}
)
#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm',parms)
if RUN_SIMULATION:
pyalps.runApplication('mc++',input_file,Tmin=5,MPI=1)
if ANALYZE:
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm'),['|Structure Factor|^2'])
def Get_0k_range(L):
return range(0,L*L,L)
def Get_k0_range(L):
return range(0,L,1)
def Get_kk_range(L):
return range(0,L*L,L+1)
def Get_0k_data(data,L):
return data.flatten()[Get_0k_range(L)]
def Get_k0_data(data,L):
return data.flatten()[Get_k0_range(L)]
def Get_kk_data(data,L):
return data.flatten()[Get_kk_range(L)]
data = pyalps.collectXY(data,x='T',y='|Structure Factor|^2')[0]
'U': 1.0,
'Nmax': 2,
'THERMALIZATION': 100000,
'SWEEPS': 2000000,
'SKIP': 500,
'MEASURE[Winding Number]': 1
})
input_file = pyalps.writeInputFiles('parm1b', parms)
res = pyalps.runApplication('dwa', input_file, Tmin=5, writexml=True)
# Evaluating the simulation and preparing plots using Python
import pyalps
import matplotlib.pyplot as plt
import pyalps.plot as aplt
data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='parm1b'),
'Stiffness')
rhos = pyalps.collectXY(data, x='t', y='Stiffness', foreach=['L'])
for rho in rhos:
rho.y = rho.y * float(rho.props['L'])
plt.figure()
aplt.plot(rhos)
plt.xlabel('Hopping $t/U$')
plt.ylabel('$\\rho _sL$')
plt.legend()
plt.title('Scaling plot for Bose-Hubbard model')
plt.show()
LVsT =np.zeros([2,mcrg_iteration_depth,num_max_reduction_types, num_max_interactions, num_T]) # (odd|even), iteration, reduction technique, interaction set
PlotT =np.zeros([2,mcrg_iteration_depth,num_max_reduction_types, num_max_interactions, num_T]) # (odd|even), iteration, reduction technique, interaction set
counter_matrix=np.zeros([2,mcrg_iteration_depth,num_max_reduction_types, num_max_interactions]) # (odd|even), iteration, reduction technique, interaction set
for f in filenames:
filename=f
if filename[-4:]=='.xml':
filename=filename[:-4]+'.h5'
T=pyalps.loadProperties([filename])[0]['T']
reduction_type =pyalps.loadProperties([filename])[0]['MCRG Reduction Technique']
interaction_set=pyalps.loadProperties([filename])[0]['MCRG Interactions']
add_to_reduction_dict(reduction_type)
add_to_interaction_dict(interaction_set)
print(index_reduction_type(reduction_type),reduction_type, index_interaction_set(interaction_set), interaction_set ,f)
for type_of_interaction in ['e', 'o']:
for it in range(1,mcrg_iteration_depth+1):
data = (pyalps.loadMeasurements([filename], ['MCRG S_alpha'+str(it-1),'MCRG S_alpha'+str(it),'MCRG S_alpha'+str(it-1)+' S_beta'+str(it),'MCRG S_alpha'+str(it)+' S_beta'+str(it)]))
mean_sasb_n= LoadMean(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it) +' S_beta'+str(it))
mean_sasb_nm1=LoadMean(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it-1)+' S_beta'+str(it))
mean_sa_n= LoadMean(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it) )
mean_sa_nm1= LoadMean(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it-1))
#jknf_sasb_n= LoadJackknife(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it) +' S_beta'+str(it))
#jknf_sasb_nm1=LoadJackknife(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it-1)+' S_beta'+str(it))
#jknf_sa_n= LoadJackknife(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it) )
#jknf_sa_nm1= LoadJackknife(filename,'MCRG' + type_of_interaction+ ' S_alpha'+str(it-1))
#print(reduction_type)
#print(EV(mean_sasb_n, mean_sasb_nm1, mean_sa_n, mean_sa_nm1, debug1=False, debug2=False))
lambda_ = EV(mean_sasb_n, mean_sasb_nm1, mean_sa_n, mean_sa_nm1, debug1=False, debug2=False)[0]
lambda_ = RawSanitize(lambda_)
counter=int(counter_matrix[int('e'==type_of_interaction),it-1, index_reduction_type(reduction_type), index_interaction_set(interaction_set)])
