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beta version of the openQCD.py input method

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jkuhl-uni 2021-12-15 12:00:11 +01:00
parent 66cdd46a92
commit efa8d8a91d
1 changed files with 114 additions and 36 deletions
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146
pyerrors/input/openQCD.py
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@ -345,27 +345,71 @@ def _read_array_openQCD2(fp):
return {'d': d, 'n': n, 'size': size, 'arr': arr} return {'d': d, 'n': n, 'size': size, 'arr': arr}
def read_qtop(path, prefix, version = "1.2",**kwargs): def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
"""Read qtop format from given folder structure. """Read qtop format from given folder structure.
Parameters Parameters
---------- ----------
target -- specifies the topological sector to be reweighted to (default 0) path:
full -- if true read the charge instead of the reweighting factor. path of the measurement files
prefix:
prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat
c:
???
dtr_cnfg:
???
target: int
specifies the topological sector to be reweighted to (default 0)
full: bool
if true read the charge instead of the reweighting factor.
version: str
version string of the openQCD (sfqcd) version used to create the ensemble
steps: int
step size of measurements
L: int
spatial length of the lattice in L/a. HAS to be set if version != sfqcd, since openQCD does not provide this in the header
r_start: list
offset of the first ensemble, making it easier to match later on with other Obs
r_stop: list
last ensemble that needs to be read
r_meas_start: list
offset of the first measured ensemble, if there is any
files: list
specify the exact files that need to be read from path, pratical if e.g. only one replicum is needed
names: list
Alternative labeling for replicas/ensembles. Has to have the appropriate length
""" """
dtr_cnfg = 4 #dtr_cnfg = 4# was ist das denn hier?
L = 20 #one could read L from the header in case of sfQCD
c = 0.35 #c = 0.35
known_versions = ["1.0","1.2","1.4","1.6","2.0", "sfqcd"]
version = "1.2"
if "version" in kwargs:
version = kwargs.get("version")
if not version in known_versions:
raise Exception("Unknown openQCD version.")
target = 0 target = 0
full = False full = False
if "steps" in kwargs:
steps = kwargs.get("steps")
else:
steps = 1
if 'target' in kwargs: if 'target' in kwargs:
target = kwargs.get('target') target = kwargs.get('target')
if version == "sfqcd":
if "L" in kwargs:
supposed_L = kwargs.get("L")
else:
if not "L" in kwargs:
raise Exception("This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'.")
else:
L = kwargs.get("L")
if kwargs.get('full'): if kwargs.get('full'):
full = True full = True
r_start = 1
r_meas_start = 1
if "r_meas_start" in kwargs:
r_meas_start = kwargs.get("r_meas_start")
if "r_start" in kwargs: if "r_start" in kwargs:
r_start = kwargs.get("r_start") r_start = kwargs.get("r_start")
if "r_stop" in kwargs: if "r_stop" in kwargs:
@ -392,39 +436,60 @@ def read_qtop(path, prefix, version = "1.2",**kwargs):
for rep,file in enumerate(files): for rep,file in enumerate(files):
with open(path+"/"+file, "rb") as fp: with open(path+"/"+file, "rb") as fp:
#this, for now, is only for version 1.2 #this, for now, is for version 1.2,1.4,1.6 and 2.0, but needs to be tested for the last 3, isncethe doc says its the same
#header #header
t = fp.read(12) t = fp.read(12)
header = struct.unpack('iii', t) header = struct.unpack('<iii', t)
dn = header[0] dn = header[0] # step size in integration steps "dnms"
nn = header[1] nn = header[1] # number of measurements, so "ntot"/dn
tmax = header[2] tmax = header[2]# lattice T/a
print('dn:', dn) #hier fehlen die L/a Angaben im header von Simon
#also muss man L nur für den fall von Fabian setzen
if version == "sfqcd":
t = fp.read(12)
Ls = struct.unpack('<iii', t)
if(Ls[0] == Ls[1] and Ls[1] == Ls[2]):
L = Ls[0]
if not (supposed_L == L):
raise Exception("It seems the length given in the header and by you contradict each other")
else:
raise Exception("Found more than one spatial length in header!")
print('dnms:', dn)
print('nn:', nn) print('nn:', nn)
print('tmax:', tmax) print('tmax:', tmax)
t = fp.read(8) t = fp.read(8) #header4 wird mit 16 bytes ausgelesen... cmax fehlt also als Angabe
eps = struct.unpack('d', t)[0] eps = struct.unpack('d', t)[0]# das hier ist vllt. tol
print('eps:', eps) print('eps:', eps)
Q = [] Q = []
i = 1
i = r_meas_start*steps
while 0 < 1: while 0 < 1:
t = fp.read(4) t = fp.read(4) #int nt
if(len(t) < 4): if(len(t) < 4):
break break
nc = struct.unpack('i',t)[0] nc = struct.unpack('i',t)[0]
#print(nc)
if(nc != i): if(nc != i):
print("WARNING: possible missing config:" +str(i)) print(nc)
#raise Exception('Config missing?') raise Exception('Config ' + str(i) + ' missing?')
else: else:
t = fp.read(8 * tmax * (nn + 1)) t = fp.read(8 * tmax * (nn + 1))#wegwerfen, Wsl
t = fp.read(8 * tmax * (nn + 1)) t = fp.read(8 * tmax * (nn + 1))#wegwerfen, Ysl
t = fp.read(8 * tmax * (nn + 1)) t = fp.read(8 * tmax * (nn + 1))#NICHT wegwerfen, das ist Qsl, das, was wirr wollen
#unpack the array of Qtops, on each timeslice t=0,...,tmax-1 and the
#measurement number in = 0...nn (see README.qcd1)
tmpd = struct.unpack('d' * tmax * (nn + 1), t) tmpd = struct.unpack('d' * tmax * (nn + 1), t)
Q.append(tmpd) Q.append(tmpd)
i += 1 i += 1*steps
#print(tmp) #print(tmp)
#set step by reading all entries, then set stepsize, then check if everything is there
#make a dtr_config param, which is checked against difference...
#difference != step
#len(set(difference)) == 1
#!!!also implement the idl stuff for everything...
print(len(Q))
print('max_t:', dn * (nn) * eps) print('max_t:', dn * (nn) * eps)
t_aim = (c * L) ** 2 / 8 t_aim = (c * L) ** 2 / 8
@ -437,6 +502,8 @@ def read_qtop(path, prefix, version = "1.2",**kwargs):
Q_sum = [] Q_sum = []
for i, item in enumerate(Q): for i, item in enumerate(Q):
Q_sum.append([sum(item[current:current + tmax]) for current in range(0, len(item), tmax)]) Q_sum.append([sum(item[current:current + tmax]) for current in range(0, len(item), tmax)])
print(len(Q_sum))
print(len(Q_sum[0]))
Q_round = [] Q_round = []
for i in range(len(Q) // dtr_cnfg): for i in range(len(Q) // dtr_cnfg):
Q_round.append(round(Q_sum[dtr_cnfg * i][index_aim])) Q_round.append(round(Q_sum[dtr_cnfg * i][index_aim]))
@ -445,27 +512,38 @@ def read_qtop(path, prefix, version = "1.2",**kwargs):
tmp = [] tmp = []
for q in Q_round: for q in Q_round:
#floats = list(map(float, line.split()))
if full: if full:
tmp.append(q) #round(Q_sum[dtr_cnfg * i][index_aim]) tmp.append(q)
else: else:
if int(q) == target: #round(Q_sum[dtr_cnfg * i][index_aim]) if int(q) == target:
tmp.append(1.0) tmp.append(1.0)
else: else:
tmp.append(0.0) tmp.append(0.0)
truncated_file = file[:-7] #as seen in previous examples, this could lead to some weird behaviour... maybe -7 fixes this. truncated_file = file[:-7] #as seen in previous examples, this could lead to some weird behaviour... maybe -7 fixes this.
print(truncated_file) print(truncated_file)
idx = truncated_file.index('r') try:
idx = truncated_file.index('r')
except:
if not "names" in kwargs:
raise Exception("Automatic recognition of replicum failed, please enter the key word 'names'.")
#print(truncated_file[idx:]) #print(truncated_file[idx:])
# this might be a quite fishy way to find out which replicum we are actually talking about... # this might be a quite fishy way to find out which replicum we are actually talking about...
if "r_start" in kwargs: if "r_start" in kwargs:
tmp = tmp[r_start[int(truncated_file[idx+1:])-1]:] tmp = tmp[r_start[int(truncated_file[idx+1:])-1]:]
if "r_stop" in kwargs: if "r_stop" in kwargs:
tmp = tmp[:r_stop[int(truncated_file[idx+1:])-1]] tmp = tmp[:r_stop[int(truncated_file[idx+1:])-1]]
if "ens_name" in kwargs:
rep_names.append(truncated_file[:idx] + '|' + truncated_file[idx:]) ens_name = kwargs.get("ens_name")
else:
ens_name = truncated_file[:idx]
#keyword "names" prevails over "ens_name"
if not "names" in kwargs:
rep_names.append(truncated_file[:idx] + '|' + truncated_file[idx:])
else:
names = kwargs.get("names")
rep_names = names
deltas.append(np.array(tmp)) deltas.append(np.array(tmp))