def file_names(stage, s=0, p=0):
""" Returns a dictionary of file names corresponding to each stage of the program """
# Get the correct names for p, s
sname, pname = ini.naming_system(s, p)
if stage in ('input', 'output'):
leaf = pname[0] + sname[0] + ".out"
elif stage == 'scomb':
leaf = pname[0] + sname[1] + ".out"
else:
error(this_file, "Invalid argument: " + stage)
cuts = "cuts" + leaf
accepts = "accepts" + leaf
dmu = "dmu" + leaf
dmu_acc = "dmu_acc" + leaf
dE = "dE" + leaf
dE_acc = "dE_acc" + leaf
minimat = "minimat" + leaf
round_trips = "round_trips" + leaf
return_dict = {'cu': cuts, 'ac': accepts, \
'dm': dmu, 'dma': dmu_acc, \
'de': dE, 'dea': dE_acc, \
'rt': round_trips}
if TRAP == True:
return_dict['mm'] = minimat
return return_dict
def file_names(stage, s=0, p=0):
""" Retuns a dictionary of file names corresponding to each stage of the program """
# Get the correct names for p, s
sname, pname = ini.naming_system(s, p)
if stage == 'input':
# Input file names include appropriate '_pY_sX'
disp_in = "disp" + pname[0] + sname[0] + ".out"
weights_in = "weights_TM" + pname[1] + sname[0] + ".out" # pcomb: combined within each subdom
hist_in = "hist_TM" + pname[0] + sname[0] + ".out"
Cmat_in = "Cmat_TM" + pname[0] + sname[0] + ".out"
return {'d': disp_in, 'w': weights_in, 'h': hist_in, 'c': Cmat_in}
elif stage == 'output':
# Output file names include appropriate '_pY_sX'
disp_out = "disp" + pname[0] + sname[0] + ".out"
weights_out = "weights_TM" + pname[0] + sname[0] + ".out"
hist_out = "hist_TM" + pname[0] + sname[0] + ".out"
Cmat_out = "Cmat_TM" + pname[0] + sname[0] + ".out"
eigvec_out = "eigvec_TM" + pname[0] + sname[0] + ".out"
series_out = "series_TM" + pname[0] + sname[0] + ".out"
return {'d': disp_out, 'w': weights_out, 'h': hist_out, \
'c': Cmat_out, 's': series_out}
elif stage == 'pcomb':
# After combined over processors
weights_pcomb = "weights_TM" + pname[1] + sname[0] + ".out"
hist_pcomb = "hist_TM" + pname[1] + sname[0] + ".out"
Cmat_pcomb = "Cmat_TM" + pname[1] + sname[0] + ".out"
eigvec_pcomb = "eigvec_TM" + pname[1] + sname[0] + ".out"
series_pcomb = "series_TM" + pname[1] + sname[0] + ".out"
return {'w': weights_pcomb, 'h': hist_pcomb, \
'c': Cmat_pcomb, 's': series_pcomb}
elif stage == 'scomb':
# After subdomain join
weights_scomb = "weights_TM" + pname[1] + sname[1] + ".out"
hist_scomb = "hist_TM" + pname[1] + sname[1] + ".out"
Cmat_scomb = "Cmat_TM" + pname[1] + sname[1] + ".out"
eigvec_scomb = "eigvec_TM" + pname[1] + sname[1] + ".out"
return {'w': weights_scomb, 'h': hist_scomb, 'c': Cmat_scomb}
elif stage == 'dF':
# dF estimate
dF_file = "deltaF_TM.out"
return dF_file
else:
error(this_file, "Invalid argument: "+stage)
def file_names(stage, s=0, p=0):
""" Retuns a dictionary of file names corresponding to each stage of the program """
# Get the correct names for p, s
sname, pname = ini.naming_system(s, p)
if stage == 'input':
# Input file names include appropriate '_pY_sX'
disp_in = "disp" + pname[0] + sname[0] + ".out"
weights_in = ini.rename_inputs(params_weights_file, sname[0], '')
hist_in = "hist_MC" + pname[0] + sname[0] + ".out" # same as output
return {'d': disp_in, 'w': weights_in, 'h': hist_in}
elif stage == 'output':
# Out file names include appropriate '_pY_sX'
disp_out = "disp" + pname[0] + sname[0] + ".out"
hist_out = "hist_MC" + pname[0] + sname[0] + ".out"
series_out = "series_MC" + pname[0] + sname[0] + ".out"
return {'d': disp_out, 'h': hist_out, 's': series_out}
elif stage == 'pcomb':
# After combined over processors
hist_pcomb = "hist_MC" + pname[1] + sname[0] + ".out"
series_pcomb = "series_MC" + pname[1] + sname[0] + ".out"
return {'h': hist_pcomb, 's': series_pcomb}
elif stage == 'unfld':
# After unfolding
hist_unfld = "hist_MC" + "_unfld" + sname[0] + ".out"
series_unfld = "series_MC" + "_unfld" + sname[0] + ".out"
return {'h': hist_unfld, 's': series_unfld}
elif stage == 'scomb':
# After subdomain join
hist_scomb = "hist_MC" + "_unfld" + sname[1] + ".out"
return {'h': hist_scomb}
elif stage == 'dF':
# dF estimate
dF_file = "deltaF_MC.out"
return dF_file
else:
error(this_file, "Invalid argument: " + stage)
def file_names(stage, s=0, p=0):
""" Retuns a dictionary of file names corresponding to each stage of the program """
# Get the correct names for p, s
sname, pname = ini.naming_system(s, p)
if stage == 'input':
# Input file names include appropriate '_pY_sX'
disp_in = "disp" + sname[0] + ".out"
weights_in = ini.rename_inputs(params_weights_file, sname[0], '')
return {'d': disp_in, 'w': weights_in}
elif stage == 'output':
# Output file names include appropriate '_pY_sX'
disp_out = "disp" + sname[0] + ".out"
weights_out = "weights_WL" + sname[
0] + ".out" # probably don't need pname
hist_out = "hist_WL" + sname[0] + ".out"
series_out = "series_WL" + sname[0] + ".out"
return {
'd': disp_out,
'w': weights_out,
'h': hist_out,
's': series_out
}
elif stage == 'scomb':
# After subdomain join
weights_scomb = "weights_WL" + sname[1] + ".out"
hist_scomb = "hist_WL" + sname[1] + ".out"
return {'w': weights_scomb, 'h': hist_scomb}
elif stage == 'dF':
# dF estimate
dF_file = "deltaF_WL.out"
return dF_file
else:
error(this_file, "Invalid argument: " + stage)
def gen_input_files():
""" If starting a new fixed-weights simulation, empty files will need
to be created to be imported during the first loop iteration. """
if algorithm not in ('multicanonical', 'transition'):
return
print ""
for p in range(Np):
# Map to subdomain index
s = ini.map_proc_to_subdom(p)
# Input files as decided by program
input_files = alg.file_names('input', s, p)
sname, pname = ini.naming_system(s, p)
# User input files from params
params_input_files = {'d': None,
'w': params_weights_file,
'h': params_hist_file,
'c': params_Cmat_file,
's': params_series_file,}
# Check if we need to add '_pY_sX'
params_weights_file_alt = ini.rename_inputs(params_weights_file, sname[0], '')
params_hist_file_alt = ini.rename_inputs(params_hist_file, sname[0], pname[0])
params_Cmat_file_alt = ini.rename_inputs(params_Cmat_file, sname[0], pname[0])
params_series_file_alt = ini.rename_inputs(params_series_file, sname[0], pname[0])
params_input_files_alt = {'d': None,
'w': params_weights_file_alt,
'h': params_hist_file_alt,
'c': params_Cmat_file_alt,
's': params_series_file_alt}
# Correct sizes
size = ini.get_size(s)
start_files = {'d': np.zeros((Natoms, 3)),
'w': np.zeros(size), 'h': np.zeros(size),
'c': np.zeros((size,size)), 's': [np.ones(5)*-1,]}
for key in params_input_files.keys():
# If an input file has been given in params.py
if params_input_files[key] != None:
# If the default input file doesn't yet exist,
# We need to save a copy of the params file to this name
if os.path.exists(input_files[key]) == False:
# First check for the params file modified by '_pY_sX'
if os.path.exists(params_input_files_alt[key]) == True:
tmp = np.loadtxt(params_input_files_alt[key])
print " Copying %s -> %s" %(params_input_files_alt[key], input_files[key])
np.savetxt(input_files[key], tmp)
# Then check for the exact file name given in params.py
elif os.path.exists(params_input_files[key]) == True:
tmp = np.loadtxt(params_input_files[key])
print " Copying %s -> %s" %(params_input_files[key], input_files[key])
np.savetxt(input_files[key], tmp)
# Error if params file hasn't been found
else:
error(this_file, " Neither files %s or %s not found." %(params_input_files_alt[key],params_input_files[key]))
# If the default input file does exist, leave it alone
else:
print " File %s exists and will be read as input" %input_files[key]
print ""
print "File check completed. "
return