Merge remote-tracking branch 'remotes/origin/noPostResults' into development
This commit is contained in:
Franz Roters
commit
034367fa6a
|
|
@ -499,18 +499,6 @@ GridSolver:
|
|||
- master
|
||||
- release
|
||||
|
||||
Processing:
|
||||
stage: createDocumentation
|
||||
script:
|
||||
- cd $DAMASKROOT/processing/pre
|
||||
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
|
||||
- cd $DAMASKROOT/processing/post
|
||||
- rm vtk2ang.py DAD*.py
|
||||
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
##################################################################################################
|
||||
backupData:
|
||||
stage: saveDocumentation
|
||||
|
|
@ -521,7 +509,6 @@ backupData:
|
|||
- mv $TESTROOT/performance/time.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||
- mv $TESTROOT/performance/memory.png $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||
- mv $DAMASKROOT/PRIVATE/documenting/DAMASK_* $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||
- mv $DAMASKROOT/processing $BACKUP/${CI_PIPELINE_ID}_${CI_COMMIT_SHA}/
|
||||
only:
|
||||
- development
|
||||
|
||||
|
|
|
|||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit 524e86c117d816e3bd873eed7663e258a6f2e139
|
||||
Subproject commit 62842dec152d30213cc586852b0825ad264fb56b
|
||||
|
|
@ -1,3 +1,3 @@
|
|||
thermal conduction
|
||||
initialT 300.0
|
||||
t0 270.0
|
||||
(output) temperature
|
||||
|
|
|
|||
|
|
@ -6,7 +6,7 @@
|
|||
mech none # isostrain 1 grain
|
||||
|
||||
thermal adiabatic # thermal strain (stress) induced mass transport
|
||||
initialT 300.0
|
||||
t0 330.0
|
||||
(output) temperature
|
||||
|
||||
#-------------------#
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -145,7 +145,6 @@ for name in filenames:
|
|||
config_header += ['<microstructure>']
|
||||
for i in range(np.nanmax(microstructure)):
|
||||
config_header += ['[{}{}]'.format(label,i+1),
|
||||
'crystallite 1',
|
||||
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(phase[i],i+1),
|
||||
]
|
||||
|
||||
|
|
|
|||
|
|
@ -126,15 +126,12 @@ for i in range(3,np.max(microstructure)):
|
|||
|
||||
config_header = ['<microstructure>',
|
||||
'[canal]',
|
||||
'crystallite 1',
|
||||
'(constituent)\tphase 1\ttexture 1\tfraction 1.0',
|
||||
'[interstitial]',
|
||||
'crystallite 1',
|
||||
'(constituent)\tphase 2\ttexture 2\tfraction 1.0'
|
||||
]
|
||||
for i in range(3,np.max(microstructure)):
|
||||
config_header += ['[Point{}]'.format(i-2),
|
||||
'crystallite 1',
|
||||
'(constituent)\tphase 3\ttexture {}\tfraction 1.0'.format(i)
|
||||
]
|
||||
|
||||
|
|
|
|||
|
|
@ -290,7 +290,6 @@ for name in filenames:
|
|||
config_header += ['<microstructure>']
|
||||
for ID in grainIDs:
|
||||
config_header += ['[Grain{}]'.format(ID),
|
||||
'crystallite 1',
|
||||
'(constituent)\tphase {}\ttexture {}\tfraction 1.0'.format(options.phase,ID)
|
||||
]
|
||||
|
||||
|
|
|
|||
|
|
@ -19,7 +19,7 @@ def integerFactorization(i):
|
|||
return j
|
||||
|
||||
def binAsBins(bin,intervals):
|
||||
"""Explode compound bin into 3D bins list"""
|
||||
"""Explode compound bin into 3D bins list."""
|
||||
bins = [0]*3
|
||||
bins[0] = (bin//(intervals[1] * intervals[2])) % intervals[0]
|
||||
bins[1] = (bin//intervals[2]) % intervals[1]
|
||||
|
|
@ -27,17 +27,17 @@ def binAsBins(bin,intervals):
|
|||
return bins
|
||||
|
||||
def binsAsBin(bins,intervals):
|
||||
"""Implode 3D bins into compound bin"""
|
||||
"""Implode 3D bins into compound bin."""
|
||||
return (bins[0]*intervals[1] + bins[1])*intervals[2] + bins[2]
|
||||
|
||||
def EulersAsBins(Eulers,intervals,deltas,center):
|
||||
"""Return list of Eulers translated into 3D bins list"""
|
||||
"""Return list of Eulers translated into 3D bins list."""
|
||||
return [int((euler+(0.5-center)*delta)//delta)%interval \
|
||||
for euler,delta,interval in zip(Eulers,deltas,intervals) \
|
||||
]
|
||||
|
||||
def binAsEulers(bin,intervals,deltas,center):
|
||||
"""Compound bin number translated into list of Eulers"""
|
||||
"""Compound bin number translated into list of Eulers."""
|
||||
Eulers = [0.0]*3
|
||||
Eulers[2] = (bin%intervals[2] + center)*deltas[2]
|
||||
Eulers[1] = (bin//intervals[2]%intervals[1] + center)*deltas[1]
|
||||
|
|
@ -45,7 +45,7 @@ def binAsEulers(bin,intervals,deltas,center):
|
|||
return Eulers
|
||||
|
||||
def directInvRepetitions(probability,scale):
|
||||
"""Calculate number of samples drawn by direct inversion"""
|
||||
"""Calculate number of samples drawn by direct inversion."""
|
||||
nDirectInv = 0
|
||||
for bin in range(len(probability)): # loop over bins
|
||||
nDirectInv += int(round(probability[bin]*scale)) # calc repetition
|
||||
|
|
@ -56,7 +56,7 @@ def directInvRepetitions(probability,scale):
|
|||
|
||||
# ----- efficient algorithm ---------
|
||||
def directInversion (ODF,nSamples):
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||
nOptSamples = max(ODF['nNonZero'],nSamples) # random subsampling if too little samples requested
|
||||
|
||||
nInvSamples = 0
|
||||
|
|
@ -118,7 +118,7 @@ def directInversion (ODF,nSamples):
|
|||
# ----- trial and error algorithms ---------
|
||||
|
||||
def MonteCarloEulers (ODF,nSamples):
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||
countMC = 0
|
||||
maxdV_V = max(ODF['dV_V'])
|
||||
orientations = np.zeros((nSamples,3),'f')
|
||||
|
|
@ -141,7 +141,7 @@ def MonteCarloEulers (ODF,nSamples):
|
|||
|
||||
|
||||
def MonteCarloBins (ODF,nSamples):
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||
countMC = 0
|
||||
maxdV_V = max(ODF['dV_V'])
|
||||
orientations = np.zeros((nSamples,3),'f')
|
||||
|
|
@ -163,7 +163,7 @@ def MonteCarloBins (ODF,nSamples):
|
|||
|
||||
|
||||
def TothVanHoutteSTAT (ODF,nSamples):
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)"""
|
||||
"""ODF contains 'dV_V' (normalized to 1), 'center', 'intervals', 'limits' (in radians)."""
|
||||
orientations = np.zeros((nSamples,3),'f')
|
||||
reconstructedODF = np.zeros(ODF['nBins'],'f')
|
||||
unitInc = 1.0/nSamples
|
||||
|
|
@ -211,10 +211,6 @@ parser.add_option('-p','--phase',
|
|||
dest = 'phase',
|
||||
type = 'int', metavar = 'int',
|
||||
help = 'phase index to be used [%default]')
|
||||
parser.add_option('--crystallite',
|
||||
dest = 'crystallite',
|
||||
type = 'int', metavar = 'int',
|
||||
help = 'crystallite index to be used [%default]')
|
||||
parser.add_option('-r', '--rnd',
|
||||
dest = 'randomSeed',
|
||||
type = 'int', metavar = 'int', \
|
||||
|
|
@ -223,7 +219,6 @@ parser.set_defaults(randomSeed = None,
|
|||
number = 500,
|
||||
algorithm = 'IA',
|
||||
phase = 1,
|
||||
crystallite = 1,
|
||||
ang = True,
|
||||
)
|
||||
|
||||
|
|
@ -240,7 +235,7 @@ if filenames == []: filenames = [None]
|
|||
for name in filenames:
|
||||
try:
|
||||
table = damask.ASCIItable(name = name, buffered = False, readonly=True)
|
||||
except:
|
||||
except IOError:
|
||||
continue
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
|
|
@ -351,7 +346,6 @@ for name in filenames:
|
|||
|
||||
for i,ID in enumerate(range(nSamples)):
|
||||
materialConfig += ['[Grain%s]'%(str(ID+1).zfill(formatwidth)),
|
||||
'crystallite %i'%options.crystallite,
|
||||
'(constituent) phase %i texture %s fraction 1.0'%(options.phase,str(ID+1).rjust(formatwidth)),
|
||||
]
|
||||
|
||||
|
|
|
|||
|
|
@ -78,13 +78,11 @@ def rcbOrientationParser(content,idcolumn):
|
|||
damask.util.croak('You might not have chosen the correct column for the grain IDs! '+
|
||||
'Please check the "--id" option.')
|
||||
raise
|
||||
except:
|
||||
raise
|
||||
|
||||
return grains
|
||||
|
||||
def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
||||
"""Parser for TSL-OIM reconstructed boundary files"""
|
||||
"""Parser for TSL-OIM reconstructed boundary files."""
|
||||
# find bounding box
|
||||
boxX = [1.*sys.maxint,-1.*sys.maxint]
|
||||
boxY = [1.*sys.maxint,-1.*sys.maxint]
|
||||
|
|
@ -99,8 +97,6 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
|||
damask.util.croak('You might not have chosen the correct column for the segment end points! '+
|
||||
'Please check the "--segment" option.')
|
||||
raise
|
||||
except:
|
||||
raise
|
||||
(x[0],y[0]) = (M[0]*x[0]+M[1]*y[0],M[2]*x[0]+M[3]*y[0]) # apply transformation to coordinates
|
||||
(x[1],y[1]) = (M[0]*x[1]+M[1]*y[1],M[2]*x[1]+M[3]*y[1]) # to get rcb --> Euler system
|
||||
boxX[0] = min(boxX[0],x[0],x[1])
|
||||
|
|
@ -728,7 +724,7 @@ def image(name,imgsize,marginX,marginY,rcData):
|
|||
|
||||
# -------------------------
|
||||
def inside(x,y,points):
|
||||
"""Tests whether point(x,y) is within polygon described by points"""
|
||||
"""Tests whether point(x,y) is within polygon described by points."""
|
||||
inside = False
|
||||
npoints=len(points)
|
||||
(x1,y1) = points[npoints-1] # start with last point of points
|
||||
|
|
@ -750,7 +746,7 @@ def inside(x,y,points):
|
|||
|
||||
# -------------------------
|
||||
def fftbuild(rcData,height,xframe,yframe,grid,extrusion):
|
||||
"""Build array of grain numbers"""
|
||||
"""Build array of grain numbers."""
|
||||
maxX = -1.*sys.maxint
|
||||
maxY = -1.*sys.maxint
|
||||
for line in rcData['point']: # find data range
|
||||
|
|
@ -883,7 +879,7 @@ try:
|
|||
boundaryFile = open(args[0])
|
||||
boundarySegments = boundaryFile.readlines()
|
||||
boundaryFile.close()
|
||||
except:
|
||||
except IOError:
|
||||
damask.util.croak('unable to read boundary file "{}".'.format(args[0]))
|
||||
raise
|
||||
|
||||
|
|
@ -941,19 +937,15 @@ if any(output in options.output for output in ['spectral','mentat']):
|
|||
|
||||
for i,grain in enumerate(rcData['grainMapping']):
|
||||
config+=['[grain{}]'.format(grain),
|
||||
'crystallite\t1',
|
||||
'(constituent)\tphase 1\ttexture {}\tfraction 1.0'.format(i+1)]
|
||||
if (options.xmargin > 0.0):
|
||||
config+=['[x-margin]',
|
||||
'crystallite\t1',
|
||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||
if (options.ymargin > 0.0):
|
||||
config+=['[y-margin]',
|
||||
'crystallite\t1',
|
||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||
if (options.xmargin > 0.0 and options.ymargin > 0.0):
|
||||
config+=['[xy-margin]',
|
||||
'crystallite\t1',
|
||||
'(constituent)\tphase 2\ttexture {}\tfraction 1.0\n'.format(len(rcData['grainMapping'])+1)]
|
||||
|
||||
if (options.xmargin > 0.0 or options.ymargin > 0.0):
|
||||
|
|
|
|||
|
|
@ -363,7 +363,7 @@ class DADF5():
|
|||
f[k]
|
||||
path.append(k)
|
||||
except KeyError as e:
|
||||
print('unable to locate geometry dataset: {}'.format(str(e)))
|
||||
pass
|
||||
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
|
||||
for oo in self.iter_visible(o):
|
||||
for pp in self.iter_visible(p):
|
||||
|
|
@ -372,7 +372,7 @@ class DADF5():
|
|||
f[k]
|
||||
path.append(k)
|
||||
except KeyError as e:
|
||||
print('unable to locate {} dataset: {}'.format(o,str(e)))
|
||||
pass
|
||||
return path
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -203,7 +203,7 @@ class Table():
|
|||
'' if info is None else ': {}'.format(info),
|
||||
))
|
||||
|
||||
self.shapes[label_new] = self.shapes.pop(label_old)
|
||||
self.shapes = {(label if label is not label_old else label_new):self.shapes[label] for label in self.shapes}
|
||||
|
||||
|
||||
def sort_by(self,labels,ascending=True):
|
||||
|
|
@ -234,8 +234,9 @@ class Table():
|
|||
Filename or file for reading.
|
||||
|
||||
"""
|
||||
seen = set()
|
||||
labels = []
|
||||
for l in self.shapes:
|
||||
for l in [x for x in self.data.columns if not (x in seen or seen.add(x))]:
|
||||
if(self.shapes[l] == (1,)):
|
||||
labels.append('{}'.format(l))
|
||||
elif(len(self.shapes[l]) == 1):
|
||||
|
|
|
|||
|
|
@ -221,263 +221,6 @@ class return_message():
|
|||
return srepr(self.message)
|
||||
|
||||
|
||||
def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
|
||||
col_deriv=0, ftol=1.49012e-8, xtol=1.49012e-8,
|
||||
gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None):
|
||||
from scipy.optimize import _minpack
|
||||
"""
|
||||
Non-linear least square fitting (Levenberg-Marquardt method) with
|
||||
bounded parameters.
|
||||
the codes of transformation between int <-> ext refers to the work of
|
||||
Jonathan J. Helmus: https://github.com/jjhelmus/leastsqbound-scipy
|
||||
other codes refer to the source code of minpack.py:
|
||||
|
||||
An internal parameter list is used to enforce contraints on the fitting
|
||||
parameters. The transfomation is based on that of MINUIT package.
|
||||
please see: F. James and M. Winkler. MINUIT User's Guide, 2004.
|
||||
|
||||
bounds : list
|
||||
(min, max) pairs for each parameter, use None for 'min' or 'max'
|
||||
when there is no bound in that direction.
|
||||
For example: if there are two parameters needed to be fitting, then
|
||||
bounds is [(min1,max1), (min2,max2)]
|
||||
|
||||
This function is based on 'leastsq' of minpack.py, the annotation of
|
||||
other parameters can be found in 'least_squares.py'.
|
||||
"""
|
||||
|
||||
def _check_func(checker, argname, thefunc, x0, args, numinputs,
|
||||
output_shape=None):
|
||||
from numpy import shape
|
||||
"""The same as that of minpack.py"""
|
||||
res = np.atleast_1d(thefunc(*((x0[:numinputs],) + args)))
|
||||
if (output_shape is not None) and (shape(res) != output_shape):
|
||||
if (output_shape[0] != 1):
|
||||
if len(output_shape) > 1:
|
||||
if output_shape[1] == 1:
|
||||
return shape(res)
|
||||
msg = "%s: there is a mismatch between the input and output " \
|
||||
"shape of the '%s' argument" % (checker, argname)
|
||||
func_name = getattr(thefunc, '__name__', None)
|
||||
if func_name:
|
||||
msg += " '%s'." % func_name
|
||||
else:
|
||||
msg += "."
|
||||
raise TypeError(msg)
|
||||
if np.issubdtype(res.dtype, np.inexact):
|
||||
dt = res.dtype
|
||||
else:
|
||||
dt = dtype(float)
|
||||
return shape(res), dt
|
||||
|
||||
def _int2extGrad(p_int, bounds):
|
||||
"""Calculate the gradients of transforming the internal (unconstrained) to external (constrained) parameter."""
|
||||
grad = np.empty_like(p_int)
|
||||
for i, (x, bound) in enumerate(zip(p_int, bounds)):
|
||||
lower, upper = bound
|
||||
if lower is None and upper is None: # No constraints
|
||||
grad[i] = 1.0
|
||||
elif upper is None: # only lower bound
|
||||
grad[i] = x/np.sqrt(x*x + 1.0)
|
||||
elif lower is None: # only upper bound
|
||||
grad[i] = -x/np.sqrt(x*x + 1.0)
|
||||
else: # lower and upper bounds
|
||||
grad[i] = (upper - lower)*np.cos(x)/2.0
|
||||
return grad
|
||||
|
||||
def _int2extFunc(bounds):
|
||||
"""Transform internal parameters into external parameters."""
|
||||
local = [_int2extLocal(b) for b in bounds]
|
||||
|
||||
def _transform_i2e(p_int):
|
||||
p_ext = np.empty_like(p_int)
|
||||
p_ext[:] = [i(j) for i, j in zip(local, p_int)]
|
||||
return p_ext
|
||||
return _transform_i2e
|
||||
|
||||
def _ext2intFunc(bounds):
|
||||
"""Transform external parameters into internal parameters."""
|
||||
local = [_ext2intLocal(b) for b in bounds]
|
||||
|
||||
def _transform_e2i(p_ext):
|
||||
p_int = np.empty_like(p_ext)
|
||||
p_int[:] = [i(j) for i, j in zip(local, p_ext)]
|
||||
return p_int
|
||||
return _transform_e2i
|
||||
|
||||
def _int2extLocal(bound):
|
||||
"""Transform a single internal parameter to an external parameter."""
|
||||
lower, upper = bound
|
||||
if lower is None and upper is None: # no constraints
|
||||
return lambda x: x
|
||||
elif upper is None: # only lower bound
|
||||
return lambda x: lower - 1.0 + np.sqrt(x*x + 1.0)
|
||||
elif lower is None: # only upper bound
|
||||
return lambda x: upper + 1.0 - np.sqrt(x*x + 1.0)
|
||||
else:
|
||||
return lambda x: lower + ((upper - lower)/2.0)*(np.sin(x) + 1.0)
|
||||
|
||||
def _ext2intLocal(bound):
|
||||
"""Transform a single external parameter to an internal parameter."""
|
||||
lower, upper = bound
|
||||
if lower is None and upper is None: # no constraints
|
||||
return lambda x: x
|
||||
elif upper is None: # only lower bound
|
||||
return lambda x: np.sqrt((x - lower + 1.0)**2 - 1.0)
|
||||
elif lower is None: # only upper bound
|
||||
return lambda x: np.sqrt((x - upper - 1.0)**2 - 1.0)
|
||||
else:
|
||||
return lambda x: np.arcsin((2.0*(x - lower)/(upper - lower)) - 1.0)
|
||||
|
||||
i2e = _int2extFunc(bounds)
|
||||
e2i = _ext2intFunc(bounds)
|
||||
|
||||
x0 = np.asarray(x0).flatten()
|
||||
n = len(x0)
|
||||
|
||||
if len(bounds) != n:
|
||||
raise ValueError('the length of bounds is inconsistent with the number of parameters ')
|
||||
|
||||
if not isinstance(args, tuple):
|
||||
args = (args,)
|
||||
|
||||
shape, dtype = _check_func('leastsq', 'func', func, x0, args, n)
|
||||
m = shape[0]
|
||||
|
||||
if n > m:
|
||||
raise TypeError('Improper input: N=%s must not exceed M=%s' % (n, m))
|
||||
if epsfcn is None:
|
||||
epsfcn = np.finfo(dtype).eps
|
||||
|
||||
def funcWarp(x, *args):
|
||||
return func(i2e(x), *args)
|
||||
|
||||
xi0 = e2i(x0)
|
||||
|
||||
if Dfun is None:
|
||||
if maxfev == 0:
|
||||
maxfev = 200*(n + 1)
|
||||
retval = _minpack._lmdif(funcWarp, xi0, args, full_output, ftol, xtol,
|
||||
gtol, maxfev, epsfcn, factor, diag)
|
||||
else:
|
||||
if col_deriv:
|
||||
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (n, m))
|
||||
else:
|
||||
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (m, n))
|
||||
if maxfev == 0:
|
||||
maxfev = 100*(n + 1)
|
||||
|
||||
def DfunWarp(x, *args):
|
||||
return Dfun(i2e(x), *args)
|
||||
|
||||
retval = _minpack._lmder(funcWarp, DfunWarp, xi0, args, full_output, col_deriv,
|
||||
ftol, xtol, gtol, maxfev, factor, diag)
|
||||
|
||||
errors = {0: ["Improper input parameters.", TypeError],
|
||||
1: ["Both actual and predicted relative reductions "
|
||||
"in the sum of squares\n are at most %f" % ftol, None],
|
||||
2: ["The relative error between two consecutive "
|
||||
"iterates is at most %f" % xtol, None],
|
||||
3: ["Both actual and predicted relative reductions in "
|
||||
"the sum of squares\n are at most %f and the "
|
||||
"relative error between two consecutive "
|
||||
"iterates is at \n most %f" % (ftol, xtol), None],
|
||||
4: ["The cosine of the angle between func(x) and any "
|
||||
"column of the\n Jacobian is at most %f in "
|
||||
"absolute value" % gtol, None],
|
||||
5: ["Number of calls to function has reached "
|
||||
"maxfev = %d." % maxfev, ValueError],
|
||||
6: ["ftol=%f is too small, no further reduction "
|
||||
"in the sum of squares\n is possible.""" % ftol,
|
||||
ValueError],
|
||||
7: ["xtol=%f is too small, no further improvement in "
|
||||
"the approximate\n solution is possible." % xtol,
|
||||
ValueError],
|
||||
8: ["gtol=%f is too small, func(x) is orthogonal to the "
|
||||
"columns of\n the Jacobian to machine "
|
||||
"precision." % gtol, ValueError],
|
||||
'unknown': ["Unknown error.", TypeError]}
|
||||
|
||||
info = retval[-1] # The FORTRAN return value
|
||||
|
||||
if info not in [1, 2, 3, 4] and not full_output:
|
||||
if info in [5, 6, 7, 8]:
|
||||
np.warnings.warn(errors[info][0], RuntimeWarning)
|
||||
else:
|
||||
try:
|
||||
raise errors[info][1](errors[info][0])
|
||||
except KeyError:
|
||||
raise errors['unknown'][1](errors['unknown'][0])
|
||||
|
||||
mesg = errors[info][0]
|
||||
x = i2e(retval[0])
|
||||
|
||||
if full_output:
|
||||
grad = _int2extGrad(retval[0], bounds)
|
||||
retval[1]['fjac'] = (retval[1]['fjac'].T / np.take(grad,
|
||||
retval[1]['ipvt'] - 1)).T
|
||||
cov_x = None
|
||||
if info in [1, 2, 3, 4]:
|
||||
from numpy.dual import inv
|
||||
from numpy.linalg import LinAlgError
|
||||
perm = np.take(np.eye(n), retval[1]['ipvt'] - 1, 0)
|
||||
r = np.triu(np.transpose(retval[1]['fjac'])[:n, :])
|
||||
R = np.dot(r, perm)
|
||||
try:
|
||||
cov_x = inv(np.dot(np.transpose(R), R))
|
||||
except LinAlgError as inverror:
|
||||
print(inverror)
|
||||
pass
|
||||
return (x, cov_x) + retval[1:-1] + (mesg, info)
|
||||
else:
|
||||
return (x, info)
|
||||
|
||||
def _general_function(params, ydata, xdata, function):
|
||||
return function(xdata, *params) - ydata
|
||||
def _weighted_general_function(params, ydata, xdata, function, weights):
|
||||
return (function(xdata, *params) - ydata)*weights
|
||||
|
||||
def curve_fit_bound(f, xdata, ydata, p0=None, sigma=None, bounds=None, **kw):
|
||||
"""Similar as 'curve_fit' in minpack.py."""
|
||||
if p0 is None:
|
||||
# determine number of parameters by inspecting the function
|
||||
import inspect
|
||||
args, varargs, varkw, defaults = inspect.getargspec(f)
|
||||
if len(args) < 2:
|
||||
msg = "Unable to determine number of fit parameters."
|
||||
raise ValueError(msg)
|
||||
if 'self' in args:
|
||||
p0 = [1.0] * (len(args)-2)
|
||||
else:
|
||||
p0 = [1.0] * (len(args)-1)
|
||||
|
||||
if np.isscalar(p0):
|
||||
p0 = np.array([p0])
|
||||
|
||||
args = (ydata, xdata, f)
|
||||
if sigma is None:
|
||||
func = _general_function
|
||||
else:
|
||||
func = _weighted_general_function
|
||||
args += (1.0/np.asarray(sigma),)
|
||||
|
||||
return_full = kw.pop('full_output', False)
|
||||
res = leastsqBound(func, p0, args=args, bounds = bounds, full_output=True, **kw)
|
||||
(popt, pcov, infodict, errmsg, ier) = res
|
||||
|
||||
if ier not in [1, 2, 3, 4]:
|
||||
msg = "Optimal parameters not found: " + errmsg
|
||||
raise RuntimeError(msg)
|
||||
|
||||
if (len(ydata) > len(p0)) and pcov is not None:
|
||||
s_sq = (func(popt, *args)**2).sum()/(len(ydata)-len(p0))
|
||||
pcov = pcov * s_sq
|
||||
else:
|
||||
pcov = np.inf
|
||||
|
||||
return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov)
|
||||
|
||||
|
||||
class ThreadPool:
|
||||
"""Pool of threads consuming tasks from a queue."""
|
||||
|
||||
|
|
|
|||
|
|
@ -15,6 +15,7 @@ setuptools.setup(
|
|||
packages=setuptools.find_packages(),
|
||||
include_package_data=True,
|
||||
install_requires = [
|
||||
"pandas",
|
||||
"scipy",
|
||||
"h5py",
|
||||
"vtk"
|
||||
|
|
|
|||
|
|
@ -65,11 +65,13 @@ class TestTable:
|
|||
default.add('nine',d,'random data')
|
||||
assert np.allclose(d,default.get('nine'))
|
||||
|
||||
def test_rename_equivalent(self,default):
|
||||
v = default.get('v')
|
||||
default.rename('v','u')
|
||||
u = default.get('u')
|
||||
assert np.all(v == u)
|
||||
def test_rename_equivalent(self):
|
||||
x = np.random.random((5,13))
|
||||
t = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
s = t.get('s')
|
||||
t.rename('s','u')
|
||||
u = t.get('u')
|
||||
assert np.all(s == u)
|
||||
|
||||
def test_rename_gone(self,default):
|
||||
default.rename('v','V')
|
||||
|
|
|
|||
|
|
@ -65,7 +65,6 @@ subroutine CPFEM_initAll
|
|||
call constitutive_init
|
||||
call crystallite_init
|
||||
call homogenization_init
|
||||
call materialpoint_postResults
|
||||
call CPFEM_init
|
||||
|
||||
end subroutine CPFEM_initAll
|
||||
|
|
|
|||
|
|
@ -143,9 +143,6 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
|
|||
outdatedByNewInc, &
|
||||
outdatedFFN1, &
|
||||
lastStep
|
||||
use homogenization, only: &
|
||||
materialpoint_sizeResults, &
|
||||
materialpoint_results
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
|
|
@ -332,7 +329,7 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
|
|||
ddsdde(6,:) = ddsdde_h(5,:)
|
||||
end if
|
||||
|
||||
statev = materialpoint_results(1:min(nstatv,materialpoint_sizeResults),npt,mesh_FEasCP('elem', noel))
|
||||
statev = 0
|
||||
|
||||
if (terminallyIll) pnewdt = 0.5_pReal ! force cutback directly ?
|
||||
!$ call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value
|
||||
|
|
|
|||
23
src/IO.f90
23
src/IO.f90
|
|
@ -32,8 +32,7 @@ module IO
|
|||
IO_intValue, &
|
||||
IO_lc, &
|
||||
IO_error, &
|
||||
IO_warning, &
|
||||
IO_intOut
|
||||
IO_warning
|
||||
#if defined(Marc4DAMASK) || defined(Abaqus)
|
||||
public :: &
|
||||
IO_open_inputFile, &
|
||||
|
|
@ -542,26 +541,6 @@ pure function IO_lc(string)
|
|||
end function IO_lc
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns format string for integer values without leading zeros
|
||||
!> @details deprecated, use '(i0)' format specifier
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function IO_intOut(intToPrint)
|
||||
|
||||
integer, intent(in) :: intToPrint
|
||||
character(len=41) :: IO_intOut
|
||||
integer :: N_digits
|
||||
character(len=19) :: width ! maximum digits for 64 bit integer
|
||||
character(len=20) :: min_width ! longer for negative values
|
||||
|
||||
N_digits = 1 + int(log10(real(max(abs(intToPrint),1))))
|
||||
write(width, '(I19.19)') N_digits
|
||||
write(min_width, '(I20.20)') N_digits + merge(1,0,intToPrint < 0)
|
||||
IO_intOut = 'I'//trim(min_width)//'.'//trim(width)
|
||||
|
||||
end function IO_intOut
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
|
||||
!> in ABAQUS either time step is reduced or execution terminated
|
||||
|
|
|
|||
|
|
@ -37,7 +37,6 @@ module constitutive
|
|||
|
||||
integer, public, protected :: &
|
||||
constitutive_plasticity_maxSizeDotState, &
|
||||
constitutive_source_maxSizePostResults, &
|
||||
constitutive_source_maxSizeDotState
|
||||
|
||||
public :: &
|
||||
|
|
@ -50,7 +49,6 @@ module constitutive
|
|||
constitutive_SandItsTangents, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_postResults, &
|
||||
constitutive_results
|
||||
|
||||
contains
|
||||
|
|
@ -61,17 +59,9 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine constitutive_init
|
||||
|
||||
integer, parameter :: FILEUNIT = 204
|
||||
integer :: &
|
||||
o, & !< counter in output loop
|
||||
ph, & !< counter in phase loop
|
||||
s, & !< counter in source loop
|
||||
ins !< instance of plasticity/source
|
||||
|
||||
integer, dimension(:,:), pointer :: thisSize
|
||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: knownSource
|
||||
s !< counter in source loop
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialized plasticity
|
||||
|
|
@ -101,58 +91,10 @@ subroutine constitutive_init
|
|||
if (any(phase_kinematics == KINEMATICS_slipplane_opening_ID)) call kinematics_slipplane_opening_init
|
||||
if (any(phase_kinematics == KINEMATICS_thermal_expansion_ID)) call kinematics_thermal_expansion_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for constitutive output
|
||||
call IO_write_jobFile(FILEUNIT,'outputConstitutive')
|
||||
PhaseLoop: do ph = 1,material_Nphase
|
||||
activePhase: if (any(material_phaseAt == ph)) then
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_phase(ph))//']'
|
||||
|
||||
SourceLoop: do s = 1, phase_Nsources(ph)
|
||||
knownSource = .true. ! assume valid
|
||||
sourceType: select case (phase_source(s,ph))
|
||||
case (SOURCE_damage_isoBrittle_ID) sourceType
|
||||
ins = source_damage_isoBrittle_instance(ph)
|
||||
outputName = SOURCE_damage_isoBrittle_label
|
||||
thisOutput => source_damage_isoBrittle_output
|
||||
thisSize => source_damage_isoBrittle_sizePostResult
|
||||
case (SOURCE_damage_isoDuctile_ID) sourceType
|
||||
ins = source_damage_isoDuctile_instance(ph)
|
||||
outputName = SOURCE_damage_isoDuctile_label
|
||||
thisOutput => source_damage_isoDuctile_output
|
||||
thisSize => source_damage_isoDuctile_sizePostResult
|
||||
case (SOURCE_damage_anisoBrittle_ID) sourceType
|
||||
ins = source_damage_anisoBrittle_instance(ph)
|
||||
outputName = SOURCE_damage_anisoBrittle_label
|
||||
thisOutput => source_damage_anisoBrittle_output
|
||||
thisSize => source_damage_anisoBrittle_sizePostResult
|
||||
case (SOURCE_damage_anisoDuctile_ID) sourceType
|
||||
ins = source_damage_anisoDuctile_instance(ph)
|
||||
outputName = SOURCE_damage_anisoDuctile_label
|
||||
thisOutput => source_damage_anisoDuctile_output
|
||||
thisSize => source_damage_anisoDuctile_sizePostResult
|
||||
case default sourceType
|
||||
knownSource = .false.
|
||||
end select sourceType
|
||||
if (knownSource) then
|
||||
write(FILEUNIT,'(a)') '(source)'//char(9)//trim(outputName)
|
||||
OutputSourceLoop: do o = 1,size(thisOutput(:,ins))
|
||||
if(len_trim(thisOutput(o,ins)) > 0) &
|
||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
|
||||
enddo OutputSourceLoop
|
||||
endif
|
||||
enddo SourceLoop
|
||||
endif activePhase
|
||||
enddo PhaseLoop
|
||||
close(FILEUNIT)
|
||||
endif mainProcess
|
||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
|
||||
|
||||
constitutive_plasticity_maxSizeDotState = 0
|
||||
constitutive_source_maxSizeDotState = 0
|
||||
constitutive_source_maxSizePostResults = 0
|
||||
|
||||
PhaseLoop2:do ph = 1,material_Nphase
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -169,11 +111,8 @@ subroutine constitutive_init
|
|||
plasticState(ph)%sizeDotState)
|
||||
constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, &
|
||||
maxval(sourceState(ph)%p(:)%sizeDotState))
|
||||
constitutive_source_maxSizePostResults = max(constitutive_source_maxSizePostResults, &
|
||||
maxval(sourceState(ph)%p(:)%sizePostResults))
|
||||
enddo PhaseLoop2
|
||||
|
||||
|
||||
end subroutine constitutive_init
|
||||
|
||||
|
||||
|
|
@ -639,51 +578,6 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
|
|||
end subroutine constitutive_collectDeltaState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function constitutive_postResults(S, Fi, ipc, ip, el)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ipc, & !< component-ID of integration point
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
constitutive_postResults
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
Fi !< intermediate deformation gradient
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
S !< 2nd Piola Kirchhoff stress
|
||||
integer :: &
|
||||
startPos, endPos
|
||||
integer :: &
|
||||
i, of, instance !< counter in source loop
|
||||
|
||||
constitutive_postResults = 0.0_pReal
|
||||
|
||||
|
||||
endPos = 0
|
||||
|
||||
SourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
|
||||
startPos = endPos + 1
|
||||
endPos = endPos + sourceState(material_phaseAt(ipc,el))%p(i)%sizePostResults
|
||||
of = material_phasememberAt(ipc,ip,el)
|
||||
sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
|
||||
case (SOURCE_damage_isoBrittle_ID) sourceType
|
||||
constitutive_postResults(startPos:endPos) = source_damage_isoBrittle_postResults(material_phaseAt(ipc,el),of)
|
||||
case (SOURCE_damage_isoDuctile_ID) sourceType
|
||||
constitutive_postResults(startPos:endPos) = source_damage_isoDuctile_postResults(material_phaseAt(ipc,el),of)
|
||||
case (SOURCE_damage_anisoBrittle_ID) sourceType
|
||||
constitutive_postResults(startPos:endPos) = source_damage_anisoBrittle_postResults(material_phaseAt(ipc,el),of)
|
||||
case (SOURCE_damage_anisoDuctile_ID) sourceType
|
||||
constitutive_postResults(startPos:endPos) = source_damage_anisoDuctile_postResults(material_phaseAt(ipc,el),of)
|
||||
end select sourceType
|
||||
|
||||
enddo SourceLoop
|
||||
|
||||
end function constitutive_postResults
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes constitutive results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -108,7 +108,6 @@ module crystallite
|
|||
crystallite_stressTangent, &
|
||||
crystallite_orientations, &
|
||||
crystallite_push33ToRef, &
|
||||
crystallite_postResults, &
|
||||
crystallite_results
|
||||
|
||||
contains
|
||||
|
|
@ -119,7 +118,6 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine crystallite_init
|
||||
|
||||
integer, parameter :: FILEUNIT=434
|
||||
logical, dimension(:,:), allocatable :: devNull
|
||||
integer :: &
|
||||
c, & !< counter in integration point component loop
|
||||
|
|
@ -233,13 +231,6 @@ subroutine crystallite_init
|
|||
#endif
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for crystallite output
|
||||
if (worldrank == 0) then
|
||||
call IO_write_jobFile(FILEUNIT,'outputCrystallite')
|
||||
write(FILEUNIT,'(/,a,/)') '[not supported anymore]'
|
||||
close(FILEUNIT)
|
||||
endif
|
||||
call config_deallocate('material.config/phase')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -732,37 +723,6 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
|
|||
end function crystallite_push33ToRef
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return results of particular grain
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function crystallite_postResults(ipc, ip, el)
|
||||
|
||||
integer, intent(in):: &
|
||||
el, & !< element index
|
||||
ip, & !< integration point index
|
||||
ipc !< grain index
|
||||
|
||||
real(pReal), dimension(1+ &
|
||||
1+sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
|
||||
crystallite_postResults
|
||||
integer :: &
|
||||
c
|
||||
|
||||
|
||||
crystallite_postResults = 0.0_pReal
|
||||
crystallite_postResults(1) = 0.0_pReal ! header-like information (length)
|
||||
c = 1
|
||||
|
||||
crystallite_postResults(c+1) = real(sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults),pReal) ! size of constitutive results
|
||||
c = c + 1
|
||||
if (size(crystallite_postResults)-c > 0) &
|
||||
crystallite_postResults(c+1:size(crystallite_postResults)) = &
|
||||
constitutive_postResults(crystallite_S(1:3,1:3,ipc,ip,el), crystallite_Fi(1:3,1:3,ipc,ip,el), &
|
||||
ipc, ip, el)
|
||||
|
||||
end function crystallite_postResults
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes crystallite results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -11,12 +11,11 @@ module damage_local
|
|||
use source_damage_isoDuctile
|
||||
use source_damage_anisoBrittle
|
||||
use source_damage_anisoDuctile
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
damage_local_sizePostResult
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
damage_local_output
|
||||
integer, dimension(:), allocatable, target, public :: &
|
||||
|
|
@ -42,7 +41,7 @@ module damage_local
|
|||
public :: &
|
||||
damage_local_init, &
|
||||
damage_local_updateState, &
|
||||
damage_local_postResults
|
||||
damage_local_Results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -66,7 +65,6 @@ subroutine damage_local_init
|
|||
maxNinstance = count(damage_type == DAMAGE_local_ID)
|
||||
if (maxNinstance == 0) return
|
||||
|
||||
allocate(damage_local_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
|
||||
allocate(damage_local_output (maxval(homogenization_Noutput),maxNinstance))
|
||||
damage_local_output = ''
|
||||
allocate(damage_local_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
|
||||
|
|
@ -90,7 +88,6 @@ subroutine damage_local_init
|
|||
case ('damage')
|
||||
damage_local_output(i,damage_typeInstance(h)) = outputs(i)
|
||||
damage_local_Noutput(instance) = damage_local_Noutput(instance) + 1
|
||||
damage_local_sizePostResult(i,damage_typeInstance(h)) = 1
|
||||
prm%outputID = [prm%outputID , damage_ID]
|
||||
end select
|
||||
|
||||
|
|
@ -106,7 +103,6 @@ subroutine damage_local_init
|
|||
! allocate state arrays
|
||||
sizeState = 1
|
||||
damageState(homog)%sizeState = sizeState
|
||||
damageState(homog)%sizePostResults = sum(damage_local_sizePostResult(:,instance))
|
||||
allocate(damageState(homog)%state0 (sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
allocate(damageState(homog)%subState0(sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
allocate(damageState(homog)%state (sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
|
|
@ -211,35 +207,30 @@ end subroutine damage_local_getSourceAndItsTangent
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of damage results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function damage_local_postResults(ip,el)
|
||||
subroutine damage_local_results(homog,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(sum(damage_local_sizePostResult(:,damage_typeInstance(material_homogenizationAt(el))))) :: &
|
||||
damage_local_postResults
|
||||
integer, intent(in) :: homog
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: o, instance
|
||||
|
||||
integer :: instance, homog, offset, o, c
|
||||
|
||||
homog = material_homogenizationAt(el)
|
||||
offset = damageMapping(homog)%p(ip,el)
|
||||
instance = damage_typeInstance(homog)
|
||||
associate(prm => param(instance))
|
||||
c = 0
|
||||
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
|
||||
case (damage_ID)
|
||||
damage_local_postResults(c+1) = damage(homog)%p(offset)
|
||||
c = c + 1
|
||||
call results_writeDataset(group,damage(homog)%p,'phi',&
|
||||
'damage indicator','-')
|
||||
end select
|
||||
enddo outputsLoop
|
||||
|
||||
end associate
|
||||
#endif
|
||||
|
||||
end subroutine damage_local_results
|
||||
|
||||
end function damage_local_postResults
|
||||
|
||||
end module damage_local
|
||||
|
|
|
|||
|
|
@ -14,12 +14,11 @@ module damage_nonlocal
|
|||
use source_damage_isoDuctile
|
||||
use source_damage_anisoBrittle
|
||||
use source_damage_anisoDuctile
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
damage_nonlocal_sizePostResult
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
damage_nonlocal_output
|
||||
integer, dimension(:), allocatable, target, public :: &
|
||||
|
|
@ -45,7 +44,7 @@ module damage_nonlocal
|
|||
damage_nonlocal_getDiffusion33, &
|
||||
damage_nonlocal_getMobility, &
|
||||
damage_nonlocal_putNonLocalDamage, &
|
||||
damage_nonlocal_postResults
|
||||
damage_nonlocal_Results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -55,7 +54,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine damage_nonlocal_init
|
||||
|
||||
integer :: maxNinstance,homog,instance,o,i
|
||||
integer :: maxNinstance,homog,instance,i
|
||||
integer :: sizeState
|
||||
integer :: NofMyHomog, h
|
||||
integer(kind(undefined_ID)) :: &
|
||||
|
|
@ -69,7 +68,6 @@ subroutine damage_nonlocal_init
|
|||
maxNinstance = count(damage_type == DAMAGE_nonlocal_ID)
|
||||
if (maxNinstance == 0) return
|
||||
|
||||
allocate(damage_nonlocal_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
|
||||
allocate(damage_nonlocal_output (maxval(homogenization_Noutput),maxNinstance))
|
||||
damage_nonlocal_output = ''
|
||||
allocate(damage_nonlocal_Noutput (maxNinstance), source=0)
|
||||
|
|
@ -92,7 +90,6 @@ subroutine damage_nonlocal_init
|
|||
case ('damage')
|
||||
damage_nonlocal_output(i,damage_typeInstance(h)) = outputs(i)
|
||||
damage_nonlocal_Noutput(instance) = damage_nonlocal_Noutput(instance) + 1
|
||||
damage_nonlocal_sizePostResult(i,damage_typeInstance(h)) = 1
|
||||
prm%outputID = [prm%outputID , damage_ID]
|
||||
end select
|
||||
|
||||
|
|
@ -107,7 +104,6 @@ subroutine damage_nonlocal_init
|
|||
! allocate state arrays
|
||||
sizeState = 1
|
||||
damageState(homog)%sizeState = sizeState
|
||||
damageState(homog)%sizePostResults = sum(damage_nonlocal_sizePostResult(:,instance))
|
||||
allocate(damageState(homog)%state0 (sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
allocate(damageState(homog)%subState0(sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
allocate(damageState(homog)%state (sizeState,NofMyHomog), source=damage_initialPhi(homog))
|
||||
|
|
@ -247,35 +243,29 @@ end subroutine damage_nonlocal_putNonLocalDamage
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of damage results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function damage_nonlocal_postResults(ip,el)
|
||||
subroutine damage_nonlocal_results(homog,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
el !< element
|
||||
real(pReal), dimension(sum(damage_nonlocal_sizePostResult(:,damage_typeInstance(material_homogenizationAt(el))))) :: &
|
||||
damage_nonlocal_postResults
|
||||
integer, intent(in) :: homog
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: o, instance
|
||||
|
||||
integer :: &
|
||||
instance, homog, offset, o, c
|
||||
|
||||
homog = material_homogenizationAt(el)
|
||||
offset = damageMapping(homog)%p(ip,el)
|
||||
instance = damage_typeInstance(homog)
|
||||
associate(prm => param(instance))
|
||||
c = 0
|
||||
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
|
||||
case (damage_ID)
|
||||
damage_nonlocal_postResults(c+1) = damage(homog)%p(offset)
|
||||
c = c + 1
|
||||
call results_writeDataset(group,damage(homog)%p,'phi',&
|
||||
'damage indicator','-')
|
||||
end select
|
||||
enddo outputsLoop
|
||||
|
||||
end associate
|
||||
end function damage_nonlocal_postResults
|
||||
#endif
|
||||
|
||||
end subroutine damage_nonlocal_results
|
||||
|
||||
end module damage_nonlocal
|
||||
|
|
|
|||
|
|
@ -15,11 +15,7 @@ program DAMASK_spectral
|
|||
use config
|
||||
use debug
|
||||
use math
|
||||
use mesh_grid
|
||||
use CPFEM2
|
||||
use FEsolving
|
||||
use numerics
|
||||
use homogenization
|
||||
use material
|
||||
use spectral_utilities
|
||||
use grid_mech_spectral_basic
|
||||
|
|
@ -80,12 +76,6 @@ program DAMASK_spectral
|
|||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
||||
type(tLoadCase) :: newLoadCase
|
||||
type(tSolutionState), allocatable, dimension(:) :: solres
|
||||
integer(MPI_OFFSET_KIND) :: fileOffset
|
||||
integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
|
||||
integer, parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
|
||||
integer, parameter :: maxRealOut = maxByteOut/pReal
|
||||
integer(pLongInt), dimension(2) :: outputIndex
|
||||
PetscErrorCode :: ierr
|
||||
procedure(grid_mech_spectral_basic_init), pointer :: &
|
||||
mech_init
|
||||
procedure(grid_mech_spectral_basic_forward), pointer :: &
|
||||
|
|
@ -280,10 +270,8 @@ program DAMASK_spectral
|
|||
enddo
|
||||
if (any(newLoadCase%stress%maskLogical .eqv. &
|
||||
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
|
||||
if (any(newLoadCase%stress%maskLogical .and. &
|
||||
transpose(newLoadCase%stress%maskLogical) .and. &
|
||||
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
|
||||
errorID = 838 ! no rotation is allowed by stress BC
|
||||
if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) &
|
||||
.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
|
||||
write(6,'(2x,a)') 'stress / GPa:'
|
||||
do i = 1, 3; do j = 1, 3
|
||||
if(newLoadCase%stress%maskLogical(i,j)) then
|
||||
|
|
@ -335,26 +323,10 @@ program DAMASK_spectral
|
|||
! write header of output file
|
||||
if (worldrank == 0) then
|
||||
writeHeader: if (interface_restartInc < 1) then
|
||||
open(newunit=fileUnit,file=trim(getSolverJobName())//&
|
||||
'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
|
||||
write(fileUnit) 'workingdir:', 'n/a'
|
||||
write(fileUnit) 'geometry:', trim(geometryFile)
|
||||
write(fileUnit) 'grid:', grid
|
||||
write(fileUnit) 'size:', geomSize
|
||||
write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
|
||||
write(fileUnit) 'loadcases:', size(loadCases)
|
||||
write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
|
||||
write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
|
||||
write(fileUnit) 'logscales:', loadCases%logscale
|
||||
write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
||||
write(fileUnit) 'startingIncrement:', interface_restartInc ! start with writing out the previous inc
|
||||
write(fileUnit) 'eoh'
|
||||
close(fileUnit) ! end of header
|
||||
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
|
||||
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
|
||||
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
|
||||
write(6,'(/,a)') ' header of result and statistics file written out'
|
||||
write(6,'(/,a)') ' header of statistics file written out'
|
||||
flush(6)
|
||||
else writeHeader
|
||||
open(newunit=statUnit,file=trim(getSolverJobName())//&
|
||||
|
|
@ -362,40 +334,11 @@ program DAMASK_spectral
|
|||
endif writeHeader
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare MPI parallel out (including opening of file)
|
||||
allocate(outputSize(worldsize), source = 0_MPI_OFFSET_KIND)
|
||||
outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND)
|
||||
call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
|
||||
if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_allreduce')
|
||||
call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
|
||||
MPI_MODE_WRONLY + MPI_MODE_APPEND, &
|
||||
MPI_INFO_NULL, &
|
||||
fileUnit, &
|
||||
ierr)
|
||||
if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_open')
|
||||
call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header
|
||||
if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_get_position')
|
||||
fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me)
|
||||
call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||
if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_seek')
|
||||
|
||||
writeUndeformed: if (interface_restartInc < 1) then
|
||||
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
|
||||
call CPFEM_results(0,0.0_pReal)
|
||||
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex = int([(i-1)*((maxRealOut)/materialpoint_sizeResults)+1, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
|
||||
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
||||
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
|
||||
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
||||
if (ierr /= 0) call IO_error(error_ID=894, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
endif writeUndeformed
|
||||
|
||||
|
||||
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
|
||||
time0 = time ! load case start time
|
||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||
|
|
@ -519,7 +462,6 @@ program DAMASK_spectral
|
|||
write(6,'(/,a)') ' cutting back '
|
||||
else ! no more options to continue
|
||||
call IO_warning(850)
|
||||
call MPI_File_close(fileUnit,ierr)
|
||||
close(statUnit)
|
||||
call quit(0) ! quit
|
||||
endif
|
||||
|
|
@ -537,19 +479,6 @@ program DAMASK_spectral
|
|||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
|
||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||
flush(6)
|
||||
call materialpoint_postResults()
|
||||
call MPI_File_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||
if (ierr /= 0) call IO_error(894, ext_msg='MPI_file_seek')
|
||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex=int([(i-1)*((maxRealOut)/materialpoint_sizeResults)+1, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
|
||||
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
|
||||
int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
|
||||
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='MPI_file_write')
|
||||
enddo
|
||||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
call CPFEM_results(totalIncsCounter,time)
|
||||
endif
|
||||
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
|
||||
|
|
@ -566,7 +495,6 @@ program DAMASK_spectral
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! report summary of whole calculation
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
call MPI_file_close(fileUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
call quit(0) ! no complains ;)
|
||||
|
|
|
|||
|
|
@ -476,8 +476,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax
|
||||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
|
|
|
|||
|
|
@ -440,8 +440,7 @@ subroutine formResidual(in, F, &
|
|||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
|
|
|
|||
|
|
@ -509,8 +509,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
|
|
|
|||
|
|
@ -23,7 +23,6 @@ module homogenization
|
|||
use damage_local
|
||||
use damage_nonlocal
|
||||
use results
|
||||
use HDF5_utilities
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -36,12 +35,6 @@ module homogenization
|
|||
materialpoint_P !< first P--K stress of IP
|
||||
real(pReal), dimension(:,:,:,:,:,:), allocatable, public :: &
|
||||
materialpoint_dPdF !< tangent of first P--K stress at IP
|
||||
real(pReal), dimension(:,:,:), allocatable, public :: &
|
||||
materialpoint_results !< results array of material point
|
||||
integer, public, protected :: &
|
||||
materialpoint_sizeResults, &
|
||||
thermal_maxSizePostResults, &
|
||||
damage_maxSizePostResults
|
||||
|
||||
real(pReal), dimension(:,:,:,:), allocatable :: &
|
||||
materialpoint_subF0, & !< def grad of IP at beginning of homogenization increment
|
||||
|
|
@ -126,7 +119,6 @@ module homogenization
|
|||
public :: &
|
||||
homogenization_init, &
|
||||
materialpoint_stressAndItsTangent, &
|
||||
materialpoint_postResults, &
|
||||
homogenization_results
|
||||
|
||||
contains
|
||||
|
|
@ -137,14 +129,6 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_init
|
||||
|
||||
integer, parameter :: FILEUNIT = 200
|
||||
integer :: e,i,p
|
||||
integer, dimension(:,:), pointer :: thisSize
|
||||
integer, dimension(:) , pointer :: thisNoutput
|
||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: valid
|
||||
|
||||
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
|
||||
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
|
||||
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init
|
||||
|
|
@ -157,80 +141,6 @@ subroutine homogenization_init
|
|||
if (any(damage_type == DAMAGE_local_ID)) call damage_local_init
|
||||
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for homogenization output
|
||||
mainProcess: if (worldrank == 0) then
|
||||
call IO_write_jobFile(FILEUNIT,'outputHomogenization')
|
||||
do p = 1,size(config_homogenization)
|
||||
if (any(material_homogenizationAt == p)) then
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_homogenization(p))//']'
|
||||
write(FILEUNIT,'(a)') '(type) n/a'
|
||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||
|
||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||
valid = .true. ! assume valid
|
||||
select case(thermal_type(p)) ! split per thermal type
|
||||
case (THERMAL_isothermal_ID)
|
||||
outputName = THERMAL_isothermal_label
|
||||
thisNoutput => null()
|
||||
thisOutput => null()
|
||||
thisSize => null()
|
||||
case (THERMAL_adiabatic_ID)
|
||||
outputName = THERMAL_adiabatic_label
|
||||
thisNoutput => thermal_adiabatic_Noutput
|
||||
thisOutput => thermal_adiabatic_output
|
||||
thisSize => thermal_adiabatic_sizePostResult
|
||||
case (THERMAL_conduction_ID)
|
||||
outputName = THERMAL_conduction_label
|
||||
thisNoutput => thermal_conduction_Noutput
|
||||
thisOutput => thermal_conduction_output
|
||||
thisSize => thermal_conduction_sizePostResult
|
||||
case default
|
||||
valid = .false.
|
||||
end select
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
|
||||
if (thermal_type(p) /= THERMAL_isothermal_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
||||
enddo
|
||||
endif
|
||||
endif
|
||||
|
||||
i = damage_typeInstance(p) ! which instance of this damage type
|
||||
valid = .true. ! assume valid
|
||||
select case(damage_type(p)) ! split per damage type
|
||||
case (DAMAGE_none_ID)
|
||||
outputName = DAMAGE_none_label
|
||||
thisNoutput => null()
|
||||
thisOutput => null()
|
||||
thisSize => null()
|
||||
case (DAMAGE_local_ID)
|
||||
outputName = DAMAGE_local_label
|
||||
thisNoutput => damage_local_Noutput
|
||||
thisOutput => damage_local_output
|
||||
thisSize => damage_local_sizePostResult
|
||||
case (DAMAGE_nonlocal_ID)
|
||||
outputName = DAMAGE_nonlocal_label
|
||||
thisNoutput => damage_nonlocal_Noutput
|
||||
thisOutput => damage_nonlocal_output
|
||||
thisSize => damage_nonlocal_sizePostResult
|
||||
case default
|
||||
valid = .false.
|
||||
end select
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
|
||||
if (damage_type(p) /= DAMAGE_none_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
||||
enddo
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo
|
||||
close(FILEUNIT)
|
||||
endif mainProcess
|
||||
|
||||
call config_deallocate('material.config/homogenization')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -250,23 +160,7 @@ subroutine homogenization_init
|
|||
allocate(materialpoint_converged(discretization_nIP,discretization_nElem), source=.true.)
|
||||
allocate(materialpoint_doneAndHappy(2,discretization_nIP,discretization_nElem), source=.true.)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate and initialize global state and postresutls variables
|
||||
thermal_maxSizePostResults = 0
|
||||
damage_maxSizePostResults = 0
|
||||
do p = 1,size(config_homogenization)
|
||||
thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState(p)%sizePostResults)
|
||||
damage_maxSizePostResults = max(damage_maxSizePostResults, damageState (p)%sizePostResults)
|
||||
enddo
|
||||
|
||||
materialpoint_sizeResults = 1 & ! grain count
|
||||
+ 1 + thermal_maxSizePostResults &
|
||||
+ damage_maxSizePostResults &
|
||||
+ homogenization_maxNgrains * ( 1 & ! crystallite size
|
||||
+ 1 + constitutive_source_maxSizePostResults)
|
||||
allocate(materialpoint_results(materialpoint_sizeResults,discretization_nIP,discretization_nElem))
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
|
||||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'; flush(6)
|
||||
|
||||
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
|
||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
|
||||
|
|
@ -582,52 +476,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
end subroutine materialpoint_stressAndItsTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief parallelized calculation of result array at material points
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine materialpoint_postResults
|
||||
|
||||
integer :: &
|
||||
thePos, &
|
||||
theSize, &
|
||||
myNgrains, &
|
||||
g, & !< grain number
|
||||
i, & !< integration point number
|
||||
e !< element number
|
||||
|
||||
!$OMP PARALLEL DO PRIVATE(myNgrains,thePos,theSize)
|
||||
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
|
||||
IpLooping: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
thePos = 0
|
||||
|
||||
theSize = thermalState (material_homogenizationAt(e))%sizePostResults &
|
||||
+ damageState (material_homogenizationAt(e))%sizePostResults
|
||||
materialpoint_results(thePos+1,i,e) = real(theSize,pReal) ! tell size of homogenization results
|
||||
thePos = thePos + 1
|
||||
|
||||
if (theSize > 0) then ! any homogenization results to mention?
|
||||
materialpoint_results(thePos+1:thePos+theSize,i,e) = postResults(i,e)
|
||||
thePos = thePos + theSize
|
||||
endif
|
||||
|
||||
materialpoint_results(thePos+1,i,e) = real(myNgrains,pReal) ! tell number of grains at materialpoint
|
||||
thePos = thePos + 1
|
||||
|
||||
grainLooping :do g = 1,myNgrains
|
||||
theSize = 1 + &
|
||||
1 + &
|
||||
sum(sourceState(material_phaseAt(g,e))%p(:)%sizePostResults)
|
||||
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
|
||||
thePos = thePos + theSize
|
||||
enddo grainLooping
|
||||
enddo IpLooping
|
||||
enddo elementLooping
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
end subroutine materialpoint_postResults
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief partition material point def grad onto constituents
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -739,53 +587,6 @@ subroutine averageStressAndItsTangent(ip,el)
|
|||
end subroutine averageStressAndItsTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of homogenization results for post file inclusion. call only,
|
||||
!> if homogenization_sizePostResults(i,e) > 0 !!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function postResults(ip,el)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
el !< element number
|
||||
real(pReal), dimension( thermalState (material_homogenizationAt(el))%sizePostResults &
|
||||
+ damageState (material_homogenizationAt(el))%sizePostResults) :: &
|
||||
postResults
|
||||
integer :: &
|
||||
startPos, endPos ,&
|
||||
homog
|
||||
|
||||
|
||||
postResults = 0.0_pReal
|
||||
startPos = 1
|
||||
endPos = thermalState(material_homogenizationAt(el))%sizePostResults
|
||||
chosenThermal: select case (thermal_type(material_homogenizationAt(el)))
|
||||
|
||||
case (THERMAL_adiabatic_ID) chosenThermal
|
||||
homog = material_homogenizationAt(el)
|
||||
postResults(startPos:endPos) = &
|
||||
thermal_adiabatic_postResults(homog,thermal_typeInstance(homog),thermalMapping(homog)%p(ip,el))
|
||||
case (THERMAL_conduction_ID) chosenThermal
|
||||
homog = material_homogenizationAt(el)
|
||||
postResults(startPos:endPos) = &
|
||||
thermal_conduction_postResults(homog,thermal_typeInstance(homog),thermalMapping(homog)%p(ip,el))
|
||||
|
||||
end select chosenThermal
|
||||
|
||||
startPos = endPos + 1
|
||||
endPos = endPos + damageState(material_homogenizationAt(el))%sizePostResults
|
||||
chosenDamage: select case (damage_type(material_homogenizationAt(el)))
|
||||
|
||||
case (DAMAGE_local_ID) chosenDamage
|
||||
postResults(startPos:endPos) = damage_local_postResults(ip, el)
|
||||
case (DAMAGE_nonlocal_ID) chosenDamage
|
||||
postResults(startPos:endPos) = damage_nonlocal_postResults(ip, el)
|
||||
|
||||
end select chosenDamage
|
||||
|
||||
end function postResults
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes homogenization results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -795,25 +596,16 @@ subroutine homogenization_results
|
|||
material_homogenization_type => homogenization_type
|
||||
|
||||
integer :: p
|
||||
character(len=256) :: group
|
||||
character(len=pStringLen) :: group_base,group
|
||||
|
||||
!real(pReal), dimension(:,:,:), allocatable :: temp
|
||||
|
||||
do p=1,size(config_name_homogenization)
|
||||
group = trim('current/materialpoint')//'/'//trim(config_name_homogenization(p))
|
||||
call HDF5_closeGroup(results_addGroup(group))
|
||||
|
||||
group = trim(group)//'/mech'
|
||||
|
||||
call HDF5_closeGroup(results_addGroup(group))
|
||||
select case(material_homogenization_type(p))
|
||||
case(HOMOGENIZATION_rgc_ID)
|
||||
call mech_RGC_results(homogenization_typeInstance(p),group)
|
||||
end select
|
||||
|
||||
group = trim('current/materialpoint')//'/'//trim(config_name_homogenization(p))//'/generic'
|
||||
call HDF5_closeGroup(results_addGroup(group))
|
||||
group_base = 'current/materialpoint/'//trim(config_name_homogenization(p))
|
||||
call results_closeGroup(results_addGroup(group_base))
|
||||
|
||||
group = trim(group_base)//'/generic'
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
!temp = reshape(materialpoint_F,[3,3,discretization_nIP*discretization_nElem])
|
||||
!call results_writeDataset(group,temp,'F',&
|
||||
! 'deformation gradient','1')
|
||||
|
|
@ -821,7 +613,34 @@ subroutine homogenization_results
|
|||
!call results_writeDataset(group,temp,'P',&
|
||||
! '1st Piola-Kirchoff stress','Pa')
|
||||
|
||||
group = trim(group_base)//'/mech'
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
select case(material_homogenization_type(p))
|
||||
case(HOMOGENIZATION_rgc_ID)
|
||||
call mech_RGC_results(homogenization_typeInstance(p),group)
|
||||
end select
|
||||
|
||||
group = trim(group_base)//'/damage'
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
select case(damage_type(p))
|
||||
case(DAMAGE_LOCAL_ID)
|
||||
call damage_local_results(p,group)
|
||||
case(DAMAGE_NONLOCAL_ID)
|
||||
call damage_nonlocal_results(p,group)
|
||||
end select
|
||||
|
||||
group = trim(group_base)//'/thermal'
|
||||
call results_closeGroup(results_addGroup(group))
|
||||
select case(thermal_type(p))
|
||||
case(THERMAL_ADIABATIC_ID)
|
||||
call thermal_adiabatic_results(p,group)
|
||||
case(THERMAL_CONDUCTION_ID)
|
||||
call thermal_conduction_results(p,group)
|
||||
end select
|
||||
|
||||
|
||||
enddo
|
||||
|
||||
#endif
|
||||
end subroutine homogenization_results
|
||||
|
||||
|
|
|
|||
|
|
@ -42,8 +42,7 @@ module prec
|
|||
sizeState = 0, & !< size of state
|
||||
sizeDotState = 0, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
|
||||
offsetDeltaState = 0, & !< index offset of delta state
|
||||
sizeDeltaState = 0, & !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments
|
||||
sizePostResults = 0 !< size of output data
|
||||
sizeDeltaState = 0 !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments
|
||||
real(pReal), pointer, dimension(:), contiguous :: &
|
||||
atolState
|
||||
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
|
||||
|
|
|
|||
|
|
@ -13,6 +13,7 @@ module source_damage_anisoBrittle
|
|||
use discretization
|
||||
use config
|
||||
use lattice
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -21,10 +22,7 @@ module source_damage_anisoBrittle
|
|||
source_damage_anisoBrittle_offset, & !< which source is my current source mechanism?
|
||||
source_damage_anisoBrittle_instance !< instance of source mechanism
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_anisoBrittle_sizePostResult !< size of each post result output
|
||||
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
character(len=64), dimension(:,:), allocatable :: &
|
||||
source_damage_anisoBrittle_output !< name of each post result output
|
||||
|
||||
integer, dimension(:,:), allocatable :: &
|
||||
|
|
@ -61,7 +59,7 @@ module source_damage_anisoBrittle
|
|||
source_damage_anisoBrittle_init, &
|
||||
source_damage_anisoBrittle_dotState, &
|
||||
source_damage_anisobrittle_getRateAndItsTangent, &
|
||||
source_damage_anisoBrittle_postResults
|
||||
source_damage_anisoBrittle_results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -102,7 +100,6 @@ subroutine source_damage_anisoBrittle_init
|
|||
enddo
|
||||
enddo
|
||||
|
||||
allocate(source_damage_anisoBrittle_sizePostResult(maxval(phase_Noutput),Ninstance), source=0)
|
||||
allocate(source_damage_anisoBrittle_output(maxval(phase_Noutput),Ninstance))
|
||||
source_damage_anisoBrittle_output = ''
|
||||
|
||||
|
|
@ -154,7 +151,6 @@ subroutine source_damage_anisoBrittle_init
|
|||
select case(outputs(i))
|
||||
|
||||
case ('anisobrittle_drivingforce')
|
||||
source_damage_anisoBrittle_sizePostResult(i,source_damage_anisoBrittle_instance(p)) = 1
|
||||
source_damage_anisoBrittle_output(i,source_damage_anisoBrittle_instance(p)) = outputs(i)
|
||||
prm%outputID = [prm%outputID, damage_drivingforce_ID]
|
||||
|
||||
|
|
@ -171,7 +167,6 @@ subroutine source_damage_anisoBrittle_init
|
|||
|
||||
|
||||
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
|
||||
sourceState(phase)%p(sourceOffset)%sizePostResults = sum(source_damage_anisoBrittle_sizePostResult(:,instance))
|
||||
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
|
||||
|
||||
|
||||
|
|
@ -262,39 +257,32 @@ subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalph
|
|||
|
||||
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent)
|
||||
|
||||
end subroutine source_damage_anisobrittle_getRateAndItsTangent
|
||||
end subroutine source_damage_anisoBrittle_getRateAndItsTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of local damage results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function source_damage_anisoBrittle_postResults(phase, constituent)
|
||||
subroutine source_damage_anisoBrittle_results(phase,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
constituent
|
||||
|
||||
real(pReal), dimension(sum(source_damage_anisoBrittle_sizePostResult(:, &
|
||||
source_damage_anisoBrittle_instance(phase)))) :: &
|
||||
source_damage_anisoBrittle_postResults
|
||||
|
||||
integer :: &
|
||||
instance, sourceOffset, o, c
|
||||
integer, intent(in) :: phase
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: sourceOffset, o, instance
|
||||
|
||||
instance = source_damage_anisoBrittle_instance(phase)
|
||||
sourceOffset = source_damage_anisoBrittle_offset(phase)
|
||||
|
||||
c = 0
|
||||
|
||||
do o = 1,size(param(instance)%outputID)
|
||||
select case(param(instance)%outputID(o))
|
||||
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
case (damage_drivingforce_ID)
|
||||
source_damage_anisoBrittle_postResults(c+1) = &
|
||||
sourceState(phase)%p(sourceOffset)%state(1,constituent)
|
||||
c = c + 1
|
||||
|
||||
call results_writeDataset(group,stt,'tbd','driving force','tbd')
|
||||
end select
|
||||
enddo
|
||||
end function source_damage_anisoBrittle_postResults
|
||||
enddo outputsLoop
|
||||
end associate
|
||||
#endif
|
||||
|
||||
end subroutine source_damage_anisoBrittle_results
|
||||
|
||||
end module source_damage_anisoBrittle
|
||||
|
|
|
|||
|
|
@ -12,6 +12,7 @@ module source_damage_anisoDuctile
|
|||
use discretization
|
||||
use material
|
||||
use config
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -20,9 +21,6 @@ module source_damage_anisoDuctile
|
|||
source_damage_anisoDuctile_offset, & !< which source is my current damage mechanism?
|
||||
source_damage_anisoDuctile_instance !< instance of damage source mechanism
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_anisoDuctile_sizePostResult !< size of each post result output
|
||||
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_anisoDuctile_output !< name of each post result output
|
||||
|
||||
|
|
@ -54,7 +52,7 @@ module source_damage_anisoDuctile
|
|||
source_damage_anisoDuctile_init, &
|
||||
source_damage_anisoDuctile_dotState, &
|
||||
source_damage_anisoDuctile_getRateAndItsTangent, &
|
||||
source_damage_anisoDuctile_postResults
|
||||
source_damage_anisoDuctile_results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -96,7 +94,6 @@ subroutine source_damage_anisoDuctile_init
|
|||
enddo
|
||||
enddo
|
||||
|
||||
allocate(source_damage_anisoDuctile_sizePostResult(maxval(phase_Noutput),Ninstance),source=0)
|
||||
allocate(source_damage_anisoDuctile_output(maxval(phase_Noutput),Ninstance))
|
||||
source_damage_anisoDuctile_output = ''
|
||||
|
||||
|
|
@ -139,7 +136,6 @@ subroutine source_damage_anisoDuctile_init
|
|||
select case(outputs(i))
|
||||
|
||||
case ('anisoductile_drivingforce')
|
||||
source_damage_anisoDuctile_sizePostResult(i,source_damage_anisoDuctile_instance(p)) = 1
|
||||
source_damage_anisoDuctile_output(i,source_damage_anisoDuctile_instance(p)) = outputs(i)
|
||||
prm%outputID = [prm%outputID, damage_drivingforce_ID]
|
||||
|
||||
|
|
@ -156,7 +152,6 @@ subroutine source_damage_anisoDuctile_init
|
|||
sourceOffset = source_damage_anisoDuctile_offset(phase)
|
||||
|
||||
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
|
||||
sourceState(phase)%p(sourceOffset)%sizePostResults = sum(source_damage_anisoDuctile_sizePostResult(:,instance))
|
||||
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
|
||||
|
||||
enddo
|
||||
|
|
@ -226,35 +221,28 @@ end subroutine source_damage_anisoDuctile_getRateAndItsTangent
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of local damage results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function source_damage_anisoDuctile_postResults(phase, constituent)
|
||||
subroutine source_damage_anisoDuctile_results(phase,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
constituent
|
||||
real(pReal), dimension(sum(source_damage_anisoDuctile_sizePostResult(:, &
|
||||
source_damage_anisoDuctile_instance(phase)))) :: &
|
||||
source_damage_anisoDuctile_postResults
|
||||
|
||||
integer :: &
|
||||
instance, sourceOffset, o, c
|
||||
integer, intent(in) :: phase
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: sourceOffset, o, instance
|
||||
|
||||
instance = source_damage_anisoDuctile_instance(phase)
|
||||
sourceOffset = source_damage_anisoDuctile_offset(phase)
|
||||
|
||||
c = 0
|
||||
|
||||
do o = 1,size(param(instance)%outputID)
|
||||
select case(param(instance)%outputID(o))
|
||||
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
case (damage_drivingforce_ID)
|
||||
source_damage_anisoDuctile_postResults(c+1) = &
|
||||
sourceState(phase)%p(sourceOffset)%state(1,constituent)
|
||||
c = c + 1
|
||||
|
||||
call results_writeDataset(group,stt,'tbd','driving force','tbd')
|
||||
end select
|
||||
enddo
|
||||
enddo outputsLoop
|
||||
end associate
|
||||
#endif
|
||||
|
||||
end function source_damage_anisoDuctile_postResults
|
||||
end subroutine source_damage_anisoDuctile_results
|
||||
|
||||
end module source_damage_anisoDuctile
|
||||
|
|
|
|||
|
|
@ -12,15 +12,14 @@ module source_damage_isoBrittle
|
|||
use discretization
|
||||
use material
|
||||
use config
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
integer, dimension(:), allocatable, public, protected :: &
|
||||
source_damage_isoBrittle_offset, &
|
||||
source_damage_isoBrittle_instance
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_isoBrittle_sizePostResult
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
character(len=64), dimension(:,:), allocatable :: &
|
||||
source_damage_isoBrittle_output
|
||||
|
||||
enum, bind(c)
|
||||
|
|
@ -46,7 +45,7 @@ module source_damage_isoBrittle
|
|||
source_damage_isoBrittle_init, &
|
||||
source_damage_isoBrittle_deltaState, &
|
||||
source_damage_isoBrittle_getRateAndItsTangent, &
|
||||
source_damage_isoBrittle_postResults
|
||||
source_damage_isoBrittle_Results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -86,7 +85,6 @@ subroutine source_damage_isoBrittle_init
|
|||
enddo
|
||||
enddo
|
||||
|
||||
allocate(source_damage_isoBrittle_sizePostResult(maxval(phase_Noutput),Ninstance),source=0)
|
||||
allocate(source_damage_isoBrittle_output(maxval(phase_Noutput),Ninstance))
|
||||
source_damage_isoBrittle_output = ''
|
||||
|
||||
|
|
@ -122,7 +120,6 @@ subroutine source_damage_isoBrittle_init
|
|||
select case(outputs(i))
|
||||
|
||||
case ('isobrittle_drivingforce')
|
||||
source_damage_isoBrittle_sizePostResult(i,source_damage_isoBrittle_instance(p)) = 1
|
||||
source_damage_isoBrittle_output(i,source_damage_isoBrittle_instance(p)) = outputs(i)
|
||||
prm%outputID = [prm%outputID, damage_drivingforce_ID]
|
||||
|
||||
|
|
@ -139,7 +136,6 @@ subroutine source_damage_isoBrittle_init
|
|||
sourceOffset = source_damage_isoBrittle_offset(phase)
|
||||
|
||||
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,1)
|
||||
sourceState(phase)%p(sourceOffset)%sizePostResults = sum(source_damage_isoBrittle_sizePostResult(:,instance))
|
||||
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
|
||||
|
||||
enddo
|
||||
|
|
@ -215,34 +211,30 @@ subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiD
|
|||
|
||||
end subroutine source_damage_isoBrittle_getRateAndItsTangent
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of local damage results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function source_damage_isoBrittle_postResults(phase, constituent)
|
||||
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
constituent
|
||||
real(pReal), dimension(sum(source_damage_isoBrittle_sizePostResult(:, &
|
||||
source_damage_isoBrittle_instance(phase)))) :: &
|
||||
source_damage_isoBrittle_postResults
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine source_damage_isoBrittle_results(phase,group)
|
||||
|
||||
integer :: &
|
||||
instance, sourceOffset, o, c
|
||||
integer, intent(in) :: phase
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: sourceOffset, o, instance
|
||||
|
||||
instance = source_damage_isoBrittle_instance(phase)
|
||||
sourceOffset = source_damage_isoBrittle_offset(phase)
|
||||
|
||||
c = 0
|
||||
|
||||
do o = 1,size(param(instance)%outputID)
|
||||
select case(param(instance)%outputID(o))
|
||||
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
case (damage_drivingforce_ID)
|
||||
source_damage_isoBrittle_postResults(c+1) = sourceState(phase)%p(sourceOffset)%state(1,constituent)
|
||||
c = c + 1
|
||||
|
||||
call results_writeDataset(group,stt,'tbd','driving force','tbd')
|
||||
end select
|
||||
enddo
|
||||
end function source_damage_isoBrittle_postResults
|
||||
enddo outputsLoop
|
||||
end associate
|
||||
#endif
|
||||
|
||||
end subroutine source_damage_isoBrittle_results
|
||||
|
||||
end module source_damage_isoBrittle
|
||||
|
|
|
|||
|
|
@ -11,6 +11,7 @@ module source_damage_isoDuctile
|
|||
use discretization
|
||||
use material
|
||||
use config
|
||||
use results
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
|
@ -18,9 +19,6 @@ module source_damage_isoDuctile
|
|||
source_damage_isoDuctile_offset, & !< which source is my current damage mechanism?
|
||||
source_damage_isoDuctile_instance !< instance of damage source mechanism
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_isoDuctile_sizePostResult !< size of each post result output
|
||||
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
source_damage_isoDuctile_output !< name of each post result output
|
||||
|
||||
|
|
@ -46,7 +44,7 @@ module source_damage_isoDuctile
|
|||
source_damage_isoDuctile_init, &
|
||||
source_damage_isoDuctile_dotState, &
|
||||
source_damage_isoDuctile_getRateAndItsTangent, &
|
||||
source_damage_isoDuctile_postResults
|
||||
source_damage_isoDuctile_Results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -86,7 +84,6 @@ subroutine source_damage_isoDuctile_init
|
|||
enddo
|
||||
enddo
|
||||
|
||||
allocate(source_damage_isoDuctile_sizePostResult(maxval(phase_Noutput),Ninstance),source=0)
|
||||
allocate(source_damage_isoDuctile_output(maxval(phase_Noutput),Ninstance))
|
||||
source_damage_isoDuctile_output = ''
|
||||
|
||||
|
|
@ -122,7 +119,6 @@ subroutine source_damage_isoDuctile_init
|
|||
select case(outputs(i))
|
||||
|
||||
case ('isoductile_drivingforce')
|
||||
source_damage_isoDuctile_sizePostResult(i,source_damage_isoDuctile_instance(p)) = 1
|
||||
source_damage_isoDuctile_output(i,source_damage_isoDuctile_instance(p)) = outputs(i)
|
||||
prm%outputID = [prm%outputID, damage_drivingforce_ID]
|
||||
|
||||
|
|
@ -138,10 +134,8 @@ subroutine source_damage_isoDuctile_init
|
|||
sourceOffset = source_damage_isoDuctile_offset(phase)
|
||||
|
||||
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
|
||||
sourceState(phase)%p(sourceOffset)%sizePostResults = sum(source_damage_isoDuctile_sizePostResult(:,instance))
|
||||
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
|
||||
|
||||
|
||||
enddo
|
||||
|
||||
end subroutine source_damage_isoDuctile_init
|
||||
|
|
@ -197,34 +191,31 @@ subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiD
|
|||
|
||||
end subroutine source_damage_isoDuctile_getRateAndItsTangent
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of local damage results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function source_damage_isoDuctile_postResults(phase, constituent)
|
||||
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
constituent
|
||||
real(pReal), dimension(sum(source_damage_isoDuctile_sizePostResult(:, &
|
||||
source_damage_isoDuctile_instance(phase)))) :: &
|
||||
source_damage_isoDuctile_postResults
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine source_damage_isoDuctile_results(phase,group)
|
||||
|
||||
integer :: &
|
||||
instance, sourceOffset, o, c
|
||||
integer, intent(in) :: phase
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: sourceOffset, o, instance
|
||||
|
||||
instance = source_damage_isoDuctile_instance(phase)
|
||||
sourceOffset = source_damage_isoDuctile_offset(phase)
|
||||
|
||||
c = 0
|
||||
|
||||
do o = 1,size(param(instance)%outputID)
|
||||
select case(param(instance)%outputID(o))
|
||||
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
case (damage_drivingforce_ID)
|
||||
source_damage_isoDuctile_postResults(c+1) = sourceState(phase)%p(sourceOffset)%state(1,constituent)
|
||||
c = c + 1
|
||||
|
||||
call results_writeDataset(group,stt,'tbd','driving force','tbd')
|
||||
end select
|
||||
enddo
|
||||
end function source_damage_isoDuctile_postResults
|
||||
enddo outputsLoop
|
||||
end associate
|
||||
#endif
|
||||
|
||||
end subroutine source_damage_isoDuctile_results
|
||||
|
||||
|
||||
end module source_damage_isoDuctile
|
||||
|
|
|
|||
|
|
@ -7,6 +7,7 @@ module thermal_adiabatic
|
|||
use config
|
||||
use numerics
|
||||
use material
|
||||
use results
|
||||
use source_thermal_dissipation
|
||||
use source_thermal_externalheat
|
||||
use crystallite
|
||||
|
|
@ -15,8 +16,6 @@ module thermal_adiabatic
|
|||
implicit none
|
||||
private
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
thermal_adiabatic_sizePostResult !< size of each post result output
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
thermal_adiabatic_output !< name of each post result output
|
||||
|
||||
|
|
@ -37,7 +36,7 @@ module thermal_adiabatic
|
|||
thermal_adiabatic_getSourceAndItsTangent, &
|
||||
thermal_adiabatic_getSpecificHeat, &
|
||||
thermal_adiabatic_getMassDensity, &
|
||||
thermal_adiabatic_postResults
|
||||
thermal_adiabatic_results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -57,7 +56,6 @@ subroutine thermal_adiabatic_init
|
|||
maxNinstance = count(thermal_type == THERMAL_adiabatic_ID)
|
||||
if (maxNinstance == 0) return
|
||||
|
||||
allocate(thermal_adiabatic_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
|
||||
allocate(thermal_adiabatic_output (maxval(homogenization_Noutput),maxNinstance))
|
||||
thermal_adiabatic_output = ''
|
||||
allocate(thermal_adiabatic_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
|
||||
|
|
@ -75,14 +73,12 @@ subroutine thermal_adiabatic_init
|
|||
thermal_adiabatic_Noutput(instance) = thermal_adiabatic_Noutput(instance) + 1
|
||||
thermal_adiabatic_outputID(thermal_adiabatic_Noutput(instance),instance) = temperature_ID
|
||||
thermal_adiabatic_output(thermal_adiabatic_Noutput(instance),instance) = outputs(i)
|
||||
thermal_adiabatic_sizePostResult(thermal_adiabatic_Noutput(instance),instance) = 1
|
||||
end select
|
||||
enddo
|
||||
|
||||
! allocate state arrays
|
||||
sizeState = 1
|
||||
thermalState(section)%sizeState = sizeState
|
||||
thermalState(section)%sizePostResults = sum(thermal_adiabatic_sizePostResult(:,instance))
|
||||
allocate(thermalState(section)%state0 (sizeState,NofMyHomog), source=thermal_initialT(section))
|
||||
allocate(thermalState(section)%subState0(sizeState,NofMyHomog), source=thermal_initialT(section))
|
||||
allocate(thermalState(section)%state (sizeState,NofMyHomog), source=thermal_initialT(section))
|
||||
|
|
@ -252,32 +248,27 @@ end function thermal_adiabatic_getMassDensity
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of thermal results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function thermal_adiabatic_postResults(homog,instance,of) result(postResults)
|
||||
subroutine thermal_adiabatic_results(homog,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
homog, &
|
||||
instance, &
|
||||
of
|
||||
integer, intent(in) :: homog
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: o, instance
|
||||
|
||||
real(pReal), dimension(sum(thermal_adiabatic_sizePostResult(:,instance))) :: &
|
||||
postResults
|
||||
instance = thermal_typeInstance(homog)
|
||||
|
||||
integer :: &
|
||||
o, c
|
||||
|
||||
c = 0
|
||||
|
||||
do o = 1,thermal_adiabatic_Noutput(instance)
|
||||
outputsLoop: do o = 1,thermal_adiabatic_Noutput(instance)
|
||||
select case(thermal_adiabatic_outputID(o,instance))
|
||||
|
||||
case (temperature_ID)
|
||||
postResults(c+1) = temperature(homog)%p(of)
|
||||
c = c + 1
|
||||
call results_writeDataset(group,temperature(homog)%p,'T',&
|
||||
'temperature','K')
|
||||
end select
|
||||
enddo
|
||||
enddo outputsLoop
|
||||
#endif
|
||||
|
||||
end function thermal_adiabatic_postResults
|
||||
end subroutine thermal_adiabatic_results
|
||||
|
||||
end module thermal_adiabatic
|
||||
|
|
|
|||
|
|
@ -7,6 +7,7 @@ module thermal_conduction
|
|||
use material
|
||||
use config
|
||||
use lattice
|
||||
use results
|
||||
use crystallite
|
||||
use source_thermal_dissipation
|
||||
use source_thermal_externalheat
|
||||
|
|
@ -14,8 +15,6 @@ module thermal_conduction
|
|||
implicit none
|
||||
private
|
||||
|
||||
integer, dimension(:,:), allocatable, target, public :: &
|
||||
thermal_conduction_sizePostResult !< size of each post result output
|
||||
character(len=64), dimension(:,:), allocatable, target, public :: &
|
||||
thermal_conduction_output !< name of each post result output
|
||||
|
||||
|
|
@ -37,7 +36,7 @@ module thermal_conduction
|
|||
thermal_conduction_getSpecificHeat, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_putTemperatureAndItsRate, &
|
||||
thermal_conduction_postResults
|
||||
thermal_conduction_results
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -60,7 +59,6 @@ subroutine thermal_conduction_init
|
|||
maxNinstance = count(thermal_type == THERMAL_conduction_ID)
|
||||
if (maxNinstance == 0) return
|
||||
|
||||
allocate(thermal_conduction_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0)
|
||||
allocate(thermal_conduction_output (maxval(homogenization_Noutput),maxNinstance))
|
||||
thermal_conduction_output = ''
|
||||
allocate(thermal_conduction_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID)
|
||||
|
|
@ -78,7 +76,6 @@ subroutine thermal_conduction_init
|
|||
thermal_conduction_Noutput(instance) = thermal_conduction_Noutput(instance) + 1
|
||||
thermal_conduction_outputID(thermal_conduction_Noutput(instance),instance) = temperature_ID
|
||||
thermal_conduction_output(thermal_conduction_Noutput(instance),instance) = outputs(i)
|
||||
thermal_conduction_sizePostResult(thermal_conduction_Noutput(instance),instance) = 1
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -86,7 +83,6 @@ subroutine thermal_conduction_init
|
|||
! allocate state arrays
|
||||
sizeState = 0
|
||||
thermalState(section)%sizeState = sizeState
|
||||
thermalState(section)%sizePostResults = sum(thermal_conduction_sizePostResult(:,instance))
|
||||
allocate(thermalState(section)%state0 (sizeState,NofMyHomog))
|
||||
allocate(thermalState(section)%subState0(sizeState,NofMyHomog))
|
||||
allocate(thermalState(section)%state (sizeState,NofMyHomog))
|
||||
|
|
@ -265,31 +261,27 @@ end subroutine thermal_conduction_putTemperatureAndItsRate
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of thermal results
|
||||
!> @brief writes results to HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function thermal_conduction_postResults(homog,instance,of) result(postResults)
|
||||
subroutine thermal_conduction_results(homog,group)
|
||||
|
||||
integer, intent(in) :: &
|
||||
homog, &
|
||||
instance, &
|
||||
of
|
||||
integer, intent(in) :: homog
|
||||
character(len=*), intent(in) :: group
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
integer :: o, instance
|
||||
|
||||
real(pReal), dimension(sum(thermal_conduction_sizePostResult(:,instance))) :: &
|
||||
postResults
|
||||
instance = thermal_typeInstance(homog)
|
||||
|
||||
integer :: &
|
||||
o, c
|
||||
|
||||
c = 0
|
||||
do o = 1,thermal_conduction_Noutput(instance)
|
||||
outputsLoop: do o = 1,thermal_conduction_Noutput(instance)
|
||||
select case(thermal_conduction_outputID(o,instance))
|
||||
|
||||
case (temperature_ID)
|
||||
postResults(c+1) = temperature(homog)%p(of)
|
||||
c = c + 1
|
||||
call results_writeDataset(group,temperature(homog)%p,'T',&
|
||||
'temperature','K')
|
||||
end select
|
||||
enddo
|
||||
enddo outputsLoop
|
||||
#endif
|
||||
|
||||
end function thermal_conduction_postResults
|
||||
end subroutine thermal_conduction_results
|
||||
|
||||
end module thermal_conduction
|
||||
|
|
|
|||
Loading…
Reference in New Issue