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DAMASK_EICMD
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Merge remote-tracking branch 'origin/development' into seeds-module

This commit is contained in:
Martin Diehl 2020-09-24 20:56:32 +02:00
parent 9bce1ddc29 28cded3669
commit b5ea04424b
62 changed files with 580 additions and 615 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 86f77da4aec6cb52bbcc2724f00a6cf6a7dc6e91
Subproject commit b73dcfe746eadce92ed0ab08a3bfbb19f5c8eb0a

2
VERSION
View File

@ -1 +1 @@
v3.0.0-alpha-275-g7801f527f
v3.0.0-alpha-321-g0f6495430

40
processing/pre/geom_grainGrowth.py
View File

@ -66,13 +66,13 @@ for name in filenames:
grid_original = geom.grid
damask.util.croak(geom)
materials = np.tile(geom.materials,np.where(grid_original == 1, 2,1)) # make one copy along dimensions with grid == 1
grid = np.array(materials.shape)
material = np.tile(geom.material,np.where(grid_original == 1, 2,1)) # make one copy along dimensions with grid == 1
grid = np.array(material.shape)
# --- initialize support data ---------------------------------------------------------------------
# store a copy of the initial material indices to find locations of immutable indices
materials_original = np.copy(materials)
material_original = np.copy(material)
if not options.ndimage:
X,Y,Z = np.mgrid[0:grid[0],0:grid[1],0:grid[2]]
@ -88,14 +88,14 @@ for name in filenames:
for smoothIter in range(options.N):
interfaceEnergy = np.zeros(materials.shape,dtype=np.float32)
interfaceEnergy = np.zeros(material.shape,dtype=np.float32)
for i in (-1,0,1):
for j in (-1,0,1):
for k in (-1,0,1):
# assign interfacial energy to all voxels that have a differing neighbor (in Moore neighborhood)
interfaceEnergy = np.maximum(interfaceEnergy,
getInterfaceEnergy(materials,np.roll(np.roll(np.roll(
materials,i,axis=0), j,axis=1), k,axis=2)))
getInterfaceEnergy(material,np.roll(np.roll(np.roll(
material,i,axis=0), j,axis=1), k,axis=2)))
# periodically extend interfacial energy array by half a grid size in positive and negative directions
periodic_interfaceEnergy = np.tile(interfaceEnergy,(3,3,3))[grid[0]//2:-grid[0]//2,
@ -143,33 +143,33 @@ for name in filenames:
return_distances = False,
return_indices = True) # want index of closest bulk grain
periodic_materials = np.tile(materials,(3,3,3))[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # periodically extend the geometry
periodic_material = np.tile(material,(3,3,3))[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # periodically extend the geometry
materials = periodic_materials[index[0],
index[1],
index[2]].reshape(2*grid)[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # extent grains into interface region
material = periodic_material[index[0],
index[1],
index[2]].reshape(2*grid)[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # extent grains into interface region
# replace immutable materials with closest mutable ones
index = ndimage.morphology.distance_transform_edt(np.in1d(materials,options.immutable).reshape(grid),
index = ndimage.morphology.distance_transform_edt(np.in1d(material,options.immutable).reshape(grid),
return_distances = False,
return_indices = True)
materials = materials[index[0],
material = material[index[0],
index[1],
index[2]]
immutable = np.zeros(materials.shape, dtype=np.bool)
immutable = np.zeros(material.shape, dtype=np.bool)
# find locations where immutable materials have been in original structure
for micro in options.immutable:
immutable += materials_original == micro
immutable += material_original == micro
# undo any changes involving immutable materials
materials = np.where(immutable, materials_original,materials)
material = np.where(immutable, material_original,material)
damask.Geom(materials = materials[0:grid_original[0],0:grid_original[1],0:grid_original[2]],
damask.Geom(material = material[0:grid_original[0],0:grid_original[1],0:grid_original[2]],
size = geom.size,
origin = geom.origin,
comments = geom.comments + [scriptID + ' ' + ' '.join(sys.argv[1:])],

12
processing/pre/mentat_spectralBox.py
View File

@ -100,7 +100,7 @@ def mesh(r,d):
#-------------------------------------------------------------------------------------------------
def material():
def materials():
return [\
"*new_mater standard",
"*mater_option general:state:solid",
@ -130,10 +130,10 @@ def geometry():
#-------------------------------------------------------------------------------------------------
def initial_conditions(materials):
def initial_conditions(material):
elements = []
element = 0
for id in materials:
for id in material:
element += 1
if len(elements) < id:
for i in range(id-len(elements)):
@ -197,14 +197,14 @@ for name in filenames:
damask.util.report(scriptName,name)
geom = damask.Geom.load_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
materials = geom.materials.flatten(order='F')
material = geom.material.flatten(order='F')
cmds = [\
init(),
mesh(geom.grid,geom.size),
material(),
materials(),
geometry(),
initial_conditions(materials),
initial_conditions(material),
'*identify_sets',
'*show_model',
'*redraw',

14
processing/pre/seeds_fromDistribution.py
View File

@ -101,8 +101,8 @@ class myThread (threading.Thread):
#--- evaluate current seeds file ------------------------------------------------------------------
perturbedGeom = damask.Geom.load_ASCII(perturbedGeomVFile)
myNmaterials = len(np.unique(perturbedGeom.materials))
currentData=np.bincount(perturbedGeom.materials.ravel())[1:]/points
myNmaterials = len(np.unique(perturbedGeom.material))
currentData = np.bincount(perturbedGeom.material.ravel())[1:]/points
currentError=[]
currentHist=[]
for i in range(nMaterials): # calculate the deviation in all bins per histogram
@ -217,8 +217,8 @@ points = np.array(options.grid).prod().astype('float')
# ----------- calculate target distribution and bin edges
targetGeom = damask.Geom.load_ASCII(os.path.splitext(os.path.basename(options.target))[0]+'.geom')
nMaterials = len(np.unique(targetGeom.materials))
targetVolFrac = np.bincount(targetGeom.materials.flatten())/targetGeom.grid.prod().astype(np.float)
nMaterials = len(np.unique(targetGeom.material))
targetVolFrac = np.bincount(targetGeom.material.flatten())/targetGeom.grid.prod().astype(np.float)
target = []
for i in range(1,nMaterials+1):
targetHist,targetBins = np.histogram(targetVolFrac,bins=i) #bin boundaries
@ -244,10 +244,10 @@ initialGeomVFile.write(damask.util.execute('geom_fromVoronoiTessellation '+
initialGeomVFile.seek(0)
initialGeom = damask.Geom.load_ASCII(initialGeomVFile)
if len(np.unique(targetGeom.materials)) != nMaterials:
if len(np.unique(targetGeom.material)) != nMaterials:
damask.util.croak('error. Material count mismatch')
initialData = np.bincount(initialGeom.materials.flatten())/points
initialData = np.bincount(initialGeom.material.flatten())/points
for i in range(nMaterials):
initialHist = np.histogram(initialData,bins=target[i]['bins'])[0]
target[i]['error']=np.sqrt(np.square(np.array(target[i]['histogram']-initialHist)).sum())
@ -263,7 +263,7 @@ for i in range(nMaterials):
if options.maxseeds < 1:
maxSeeds = len(np.unique(initialGeom.materials))
maxSeeds = len(np.unique(initialGeom.material))
else:
maxSeeds = options.maxseeds

8
processing/pre/seeds_fromGeom.py
View File

@ -47,11 +47,11 @@ for name in filenames:
damask.util.report(scriptName,name)
geom = damask.Geom.load_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
materials = geom.materials.reshape((-1,1),order='F')
material = geom.material.reshape((-1,1),order='F')
mask = np.logical_and(np.in1d(materials,options.whitelist,invert=False) if options.whitelist else \
mask = np.logical_and(np.in1d(material,options.whitelist,invert=False) if options.whitelist else \
np.full(geom.grid.prod(),True,dtype=bool),
np.in1d(materials,options.blacklist,invert=True) if options.blacklist else \
np.in1d(material,options.blacklist,invert=True) if options.blacklist else \
np.full(geom.grid.prod(),True,dtype=bool))
seeds = damask.grid_filters.cell_coord0(geom.grid,geom.size).reshape(-1,3,order='F')
@ -64,5 +64,5 @@ for name in filenames:
]
damask.Table(seeds[mask],{'pos':(3,)},comments)\
.add('material',materials[mask].astype(int))\
.add('material',material[mask].astype(int))\
.save(sys.stdout if name is None else os.path.splitext(name)[0]+'.seeds',legacy=True)

2
processing/pre/seeds_fromPokes.py
View File

@ -76,7 +76,7 @@ for name in filenames:
g[2] = k + offset[2]
g %= geom.grid
seeds[n,0:3] = (g+0.5)/geom.grid # normalize coordinates to box
seeds[n, 3] = geom.materials[g[0],g[1],g[2]]
seeds[n, 3] = geom.material[g[0],g[1],g[2]]
if options.x: g[0] += 1
if options.y: g[1] += 1
n += 1

250
python/damask/_geom.py
View File

@ -15,13 +15,13 @@ from . import grid_filters
class Geom:
"""Geometry definition for grid solvers."""
def __init__(self,materials,size,origin=[0.0,0.0,0.0],comments=[]):
def __init__(self,material,size,origin=[0.0,0.0,0.0],comments=[]):
"""
New geometry definition from array of materials, size, and origin.
New geometry definition from array of material, size, and origin.
Parameters
----------
materials : numpy.ndarray
material : numpy.ndarray
Material index array (3D).
size : list or numpy.ndarray
Physical size of the geometry in meter.
@ -31,16 +31,16 @@ class Geom:
Comment lines.
"""
if len(materials.shape) != 3:
raise ValueError(f'Invalid materials shape {materials.shape}.')
elif materials.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError(f'Invalid materials data type {materials.dtype}.')
if len(material.shape) != 3:
raise ValueError(f'Invalid material shape {material.shape}.')
elif material.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError(f'Invalid material data type {material.dtype}.')
else:
self.materials = np.copy(materials)
self.material = np.copy(material)
if self.materials.dtype in np.sctypes['float'] and \
np.all(self.materials == self.materials.astype(int).astype(float)):
self.materials = self.materials.astype(int)
if self.material.dtype in np.sctypes['float'] and \
np.all(self.material == self.material.astype(int).astype(float)):
self.material = self.material.astype(int)
if len(size) != 3 or any(np.array(size) <= 0):
raise ValueError(f'Invalid size {size}.')
@ -62,7 +62,7 @@ class Geom:
f'size x y z: {util.srepr(self.size, " x ")}',
f'origin x y z: {util.srepr(self.origin," ")}',
f'# materials: {self.N_materials}',
f'max material: {np.nanmax(self.materials)}',
f'max material: {np.nanmax(self.material)}',
])
@ -103,21 +103,21 @@ class Geom:
message.append(util.delete(f'# materials: {other.N_materials}'))
message.append(util.emph( f'# materials: { self.N_materials}'))
if np.nanmax(other.materials) != np.nanmax(self.materials):
message.append(util.delete(f'max material: {np.nanmax(other.materials)}'))
message.append(util.emph( f'max material: {np.nanmax( self.materials)}'))
if np.nanmax(other.material) != np.nanmax(self.material):
message.append(util.delete(f'max material: {np.nanmax(other.material)}'))
message.append(util.emph( f'max material: {np.nanmax( self.material)}'))
return util.return_message(message)
@property
def grid(self):
return np.asarray(self.materials.shape)
return np.asarray(self.material.shape)
@property
def N_materials(self):
return np.unique(self.materials).size
return np.unique(self.material).size
@staticmethod
@ -160,7 +160,7 @@ class Geom:
else:
comments.append(line.strip())
materials = np.empty(grid.prod()) # initialize as flat array
material = np.empty(grid.prod()) # initialize as flat array
i = 0
for line in content[header_length:]:
items = line.split('#')[0].split()
@ -172,16 +172,16 @@ class Geom:
abs(int(items[2])-int(items[0]))+1,dtype=float)
else: items = list(map(float,items))
else: items = list(map(float,items))
materials[i:i+len(items)] = items
material[i:i+len(items)] = items
i += len(items)
if i != grid.prod():
raise TypeError(f'Invalid file: expected {grid.prod()} entries, found {i}')
if not np.any(np.mod(materials,1) != 0.0): # no float present
materials = materials.astype('int')
if not np.any(np.mod(material,1) != 0.0): # no float present
material = material.astype('int')
return Geom(materials.reshape(grid,order='F'),size,origin,comments)
return Geom(material.reshape(grid,order='F'),size,origin,comments)
@staticmethod
@ -200,9 +200,11 @@ class Geom:
comments = v.get_comments()
grid = np.array(v.vtk_data.GetDimensions())-1
bbox = np.array(v.vtk_data.GetBounds()).reshape(3,2).T
size = bbox[1] - bbox[0]
return Geom(v.get('material').reshape(grid,order='F'),size,bbox[0],comments=comments)
return Geom(material = v.get('material').reshape(grid,order='F'),
size = bbox[1] - bbox[0],
origin = bbox[0],
comments=comments)
@staticmethod
@ -210,7 +212,7 @@ class Geom:
return np.argmin(np.sum((np.broadcast_to(point,(len(seeds),3))-seeds)**2,axis=1) - weights)
@staticmethod
def from_Laguerre_tessellation(grid,size,seeds,weights,materials=None,periodic=True):
def from_Laguerre_tessellation(grid,size,seeds,weights,material=None,periodic=True):
"""
Generate geometry from Laguerre tessellation.
@ -224,7 +226,7 @@ class Geom:
Position of the seed points in meter. All points need to lay within the box.
weights : numpy.ndarray of shape (seeds.shape[0])
Weights of the seeds. Setting all weights to 1.0 gives a standard Voronoi tessellation.
materials : numpy.ndarray of shape (seeds.shape[0]), optional
material : numpy.ndarray of shape (seeds.shape[0]), optional
Material ID of the seeds. Defaults to None, in which case materials are
consecutively numbered.
periodic : Boolean, optional
@ -246,27 +248,27 @@ class Geom:
result = pool.map_async(partial(Geom._find_closest_seed,seeds_p,weights_p), [coord for coord in coords])
pool.close()
pool.join()
materials_ = np.array(result.get())
material_ = np.array(result.get())
if periodic:
materials_ = materials_.reshape(grid*3)
materials_ = materials_[grid[0]:grid[0]*2,grid[1]:grid[1]*2,grid[2]:grid[2]*2]%seeds.shape[0]
material_ = material_.reshape(grid*3)
material_ = material_[grid[0]:grid[0]*2,grid[1]:grid[1]*2,grid[2]:grid[2]*2]%seeds.shape[0]
else:
materials_ = materials_.reshape(grid)
material_ = material_.reshape(grid)
geom = Geom(materials = materials_+1,
size = size,
comments = util.execution_stamp('Geom','from_Laguerre_tessellation'),
geom = Geom(material = material_+1,
size = size,
comments = util.execution_stamp('Geom','from_Laguerre_tessellation'),
)
if materials is not None:
geom = geom.substitute(np.arange(seeds.shape[0])+1,materials)
if material is not None:
geom = geom.substitute(np.arange(seeds.shape[0])+1,material)
geom.comments = geom.comments[:-1]
return geom
@staticmethod
def from_Voronoi_tessellation(grid,size,seeds,materials=None,periodic=True):
def from_Voronoi_tessellation(grid,size,seeds,material=None,periodic=True):
"""
Generate geometry from Voronoi tessellation.
@ -278,7 +280,7 @@ class Geom:
Physical size of the geometry in meter.
seeds : numpy.ndarray of shape (:,3)
Position of the seed points in meter. All points need to lay within the box.
materials : numpy.ndarray of shape (seeds.shape[0]), optional
material : numpy.ndarray of shape (seeds.shape[0]), optional
Material ID of the seeds. Defaults to None, in which case materials are
consecutively numbered.
periodic : Boolean, optional
@ -287,14 +289,14 @@ class Geom:
"""
coords = grid_filters.cell_coord0(grid,size).reshape(-1,3)
KDTree = spatial.cKDTree(seeds,boxsize=size) if periodic else spatial.cKDTree(seeds)
devNull,materials_ = KDTree.query(coords)
devNull,material_ = KDTree.query(coords)
geom = Geom(materials = materials_.reshape(grid)+1,
size = size,
comments = util.execution_stamp('Geom','from_Voronoi_tessellation'),
geom = Geom(material = material_.reshape(grid)+1,
size = size,
comments = util.execution_stamp('Geom','from_Voronoi_tessellation'),
)
if materials is not None:
geom = geom.substitute(np.arange(seeds.shape[0])+1,materials)
if material is not None:
geom = geom.substitute(np.arange(seeds.shape[0])+1,material)
geom.comments = geom.comments[:-1]
return geom
@ -327,10 +329,10 @@ class Geom:
plain = not compress
if plain:
format_string = '%g' if self.materials.dtype in np.sctypes['float'] else \
'%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.materials)))))
format_string = '%g' if self.material.dtype in np.sctypes['float'] else \
'%{}i'.format(1+int(np.floor(np.log10(np.nanmax(self.material)))))
np.savetxt(fname,
self.materials.reshape([grid[0],np.prod(grid[1:])],order='F').T,
self.material.reshape([grid[0],np.prod(grid[1:])],order='F').T,
header='\n'.join(header), fmt=format_string, comments='')
else:
try:
@ -341,7 +343,7 @@ class Geom:
compressType = None
former = start = -1
reps = 0
for current in self.materials.flatten('F'):
for current in self.material.flatten('F'):
if abs(current - former) == 1 and (start - current) == reps*(former - current):
compressType = 'to'
reps += 1
@ -386,7 +388,7 @@ class Geom:
"""
v = VTK.from_rectilinearGrid(self.grid,self.size,self.origin)
v.add(self.materials.flatten(order='F'),'material')
v.add(self.material.flatten(order='F'),'material')
v.add_comments(self.comments)
v.save(fname if str(fname).endswith('.vtr') else str(fname)+'.vtr',parallel=False,compress=compress)
@ -418,7 +420,7 @@ class Geom:
0 gives octahedron (|x|^(2^0) + |y|^(2^0) + |z|^(2^0) < 1)
1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1)
fill : int, optional
Fill value for primitive. Defaults to materials.max() + 1.
Fill value for primitive. Defaults to material.max() + 1.
R : damask.Rotation, optional
Rotation of primitive. Defaults to no rotation.
inverse : Boolean, optional
@ -444,12 +446,12 @@ class Geom:
if periodic: # translate back to center
mask = np.roll(mask,((c-np.ones(3)*.5)*self.grid).astype(int),(0,1,2))
fill_ = np.full_like(self.materials,np.nanmax(self.materials)+1 if fill is None else fill)
fill_ = np.full_like(self.material,np.nanmax(self.material)+1 if fill is None else fill)
return Geom(materials = np.where(np.logical_not(mask) if inverse else mask, self.materials,fill_),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','add_primitive')],
return Geom(material = np.where(np.logical_not(mask) if inverse else mask, self.material,fill_),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','add_primitive')],
)
@ -471,19 +473,19 @@ class Geom:
raise ValueError(f'Invalid direction {set(directions).difference(valid)} specified.')
limits = [None,None] if reflect else [-2,0]
ms = self.materials.copy()
mat = self.material.copy()
if 'x' in directions:
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
mat = np.concatenate([mat,mat[limits[0]:limits[1]:-1,:,:]],0)
if 'y' in directions:
ms = np.concatenate([ms,ms[:,limits[0]:limits[1]:-1,:]],1)
mat = np.concatenate([mat,mat[:,limits[0]:limits[1]:-1,:]],1)
if 'z' in directions:
ms = np.concatenate([ms,ms[:,:,limits[0]:limits[1]:-1]],2)
mat = np.concatenate([mat,mat[:,:,limits[0]:limits[1]:-1]],2)
return Geom(materials = ms,
size = self.size/self.grid*np.asarray(ms.shape),
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','mirror')],
return Geom(material = mat,
size = self.size/self.grid*np.asarray(mat.shape),
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','mirror')],
)
@ -502,12 +504,12 @@ class Geom:
if not set(directions).issubset(valid):
raise ValueError(f'Invalid direction {set(directions).difference(valid)} specified.')
ms = np.flip(self.materials, (valid.index(d) for d in directions if d in valid))
mat = np.flip(self.material, (valid.index(d) for d in directions if d in valid))
return Geom(materials = ms,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','flip')],
return Geom(material = mat,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','flip')],
)
@ -523,17 +525,17 @@ class Geom:
Assume geometry to be periodic. Defaults to True.
"""
return Geom(materials = ndimage.interpolation.zoom(
self.materials,
return Geom(material = ndimage.interpolation.zoom(
self.material,
grid/self.grid,
output=self.materials.dtype,
output=self.material.dtype,
order=0,
mode=('wrap' if periodic else 'nearest'),
prefilter=False
),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','scale')],
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','scale')],
)
@ -559,29 +561,29 @@ class Geom:
else:
return me
return Geom(materials = ndimage.filters.generic_filter(
self.materials,
return Geom(material = ndimage.filters.generic_filter(
self.material,
mostFrequent,
size=(stencil if selection is None else stencil//2*2+1,)*3,
mode=('wrap' if periodic else 'nearest'),
extra_keywords=dict(selection=selection),
).astype(self.materials.dtype),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','clean')],
).astype(self.material.dtype),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','clean')],
)
def renumber(self):
"""Renumber sorted material indices to 1,...,N."""
renumbered = np.empty(self.grid,dtype=self.materials.dtype)
for i, oldID in enumerate(np.unique(self.materials)):
renumbered = np.where(self.materials == oldID, i+1, renumbered)
renumbered = np.empty(self.grid,dtype=self.material.dtype)
for i, oldID in enumerate(np.unique(self.material)):
renumbered = np.where(self.material == oldID, i+1, renumbered)
return Geom(materials = renumbered,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','renumber')],
return Geom(material = renumbered,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','renumber')],
)
@ -594,32 +596,32 @@ class Geom:
R : damask.Rotation
Rotation to apply to the geometry.
fill : int or float, optional
Material index to fill the corners. Defaults to materials.max() + 1.
Material index to fill the corners. Defaults to material.max() + 1.
"""
if fill is None: fill = np.nanmax(self.materials) + 1
dtype = float if np.isnan(fill) or int(fill) != fill or self.materials.dtype==np.float else int
if fill is None: fill = np.nanmax(self.material) + 1
dtype = float if np.isnan(fill) or int(fill) != fill or self.material.dtype==np.float else int
Eulers = R.as_Eulers(degrees=True)
materials_in = self.materials.copy()
material_in = self.material.copy()
# These rotations are always applied in the reference coordinate system, i.e. (z,x,z) not (z,x',z'')
# see https://www.cs.utexas.edu/~theshark/courses/cs354/lectures/cs354-14.pdf
for angle,axes in zip(Eulers[::-1], [(0,1),(1,2),(0,1)]):
materials_out = ndimage.rotate(materials_in,angle,axes,order=0,
material_out = ndimage.rotate(material_in,angle,axes,order=0,
prefilter=False,output=dtype,cval=fill)
if np.prod(materials_in.shape) == np.prod(materials_out.shape):
if np.prod(material_in.shape) == np.prod(material_out.shape):
# avoid scipy interpolation errors for rotations close to multiples of 90°
materials_in = np.rot90(materials_in,k=np.rint(angle/90.).astype(int),axes=axes)
material_in = np.rot90(material_in,k=np.rint(angle/90.).astype(int),axes=axes)
else:
materials_in = materials_out
material_in = material_out
origin = self.origin-(np.asarray(materials_in.shape)-self.grid)*.5 * self.size/self.grid
origin = self.origin-(np.asarray(material_in.shape)-self.grid)*.5 * self.size/self.grid
return Geom(materials = materials_in,
size = self.size/self.grid*np.asarray(materials_in.shape),
origin = origin,
comments = self.comments+[util.execution_stamp('Geom','rotate')],
return Geom(material = material_in,
size = self.size/self.grid*np.asarray(material_in.shape),
origin = origin,
comments = self.comments+[util.execution_stamp('Geom','rotate')],
)
@ -634,12 +636,12 @@ class Geom:
offset : numpy.ndarray of shape (3)
Offset (measured in grid points) from old to new geometry [0,0,0].
fill : int or float, optional
Material index to fill the background. Defaults to materials.max() + 1.
Material index to fill the background. Defaults to material.max() + 1.
"""
if offset is None: offset = 0
if fill is None: fill = np.nanmax(self.materials) + 1
dtype = float if int(fill) != fill or self.materials.dtype in np.sctypes['float'] else int
if fill is None: fill = np.nanmax(self.material) + 1
dtype = float if int(fill) != fill or self.material.dtype in np.sctypes['float'] else int
canvas = np.full(self.grid if grid is None else grid,fill,dtype)
@ -648,35 +650,35 @@ class Geom:
ll = np.clip(-offset, 0,np.minimum( grid,self.grid-offset))
ur = np.clip(-offset+self.grid,0,np.minimum( grid,self.grid-offset))
canvas[ll[0]:ur[0],ll[1]:ur[1],ll[2]:ur[2]] = self.materials[LL[0]:UR[0],LL[1]:UR[1],LL[2]:UR[2]]
canvas[ll[0]:ur[0],ll[1]:ur[1],ll[2]:ur[2]] = self.material[LL[0]:UR[0],LL[1]:UR[1],LL[2]:UR[2]]
return Geom(materials = canvas,
size = self.size/self.grid*np.asarray(canvas.shape),
origin = self.origin+offset*self.size/self.grid,
comments = self.comments+[util.execution_stamp('Geom','canvas')],
return Geom(material = canvas,
size = self.size/self.grid*np.asarray(canvas.shape),
origin = self.origin+offset*self.size/self.grid,
comments = self.comments+[util.execution_stamp('Geom','canvas')],
)
def substitute(self,from_materials,to_materials):
def substitute(self,from_material,to_material):
"""
Substitute material indices.
Parameters
----------
from_materials : iterable of ints
from_material : iterable of ints
Material indices to be substituted.
to_materials : iterable of ints
to_material : iterable of ints
New material indices.
"""
substituted = self.materials.copy()
for from_ms,to_ms in zip(from_materials,to_materials):
substituted[self.materials==from_ms] = to_ms
substituted = self.material.copy()
for from_ms,to_ms in zip(from_material,to_material):
substituted[self.material==from_ms] = to_ms
return Geom(materials = substituted,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','substitute')],
return Geom(material = substituted,
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','substitute')],
)
@ -695,7 +697,7 @@ class Geom:
Defaults to 1.
offset : int, optional
Offset (positive or negative) to tag material indices,
defaults to materials.max() + 1.
defaults to material.max() + 1.
trigger : list of ints, optional
List of material indices that trigger a change.
Defaults to [], meaning that any different neighbor triggers a change.
@ -714,15 +716,15 @@ class Geom:
trigger = list(trigger)
return np.any(np.in1d(stencil,np.array(trigger)))
offset_ = np.nanmax(self.materials) if offset is None else offset
mask = ndimage.filters.generic_filter(self.materials,
offset_ = np.nanmax(self.material) if offset is None else offset
mask = ndimage.filters.generic_filter(self.material,
tainted_neighborhood,
size=1+2*vicinity,
mode='wrap' if periodic else 'nearest',
extra_keywords={'trigger':trigger})
return Geom(materials = np.where(mask, self.materials + offset_,self.materials),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','vicinity_offset')],
return Geom(material = np.where(mask, self.material + offset_,self.material),
size = self.size,
origin = self.origin,
comments = self.comments+[util.execution_stamp('Geom','vicinity_offset')],
)

5
python/damask/util.py
View File

@ -117,6 +117,7 @@ def execute(cmd,
initialPath = os.getcwd()
myEnv = os.environ if env is None else env
os.chdir(wd)
print(f"executing '{cmd}' in '{wd}'")
process = subprocess.Popen(shlex.split(cmd),
stdout = subprocess.PIPE,
stderr = subprocess.PIPE,
@ -128,7 +129,7 @@ def execute(cmd,
stdout = stdout.decode('utf-8').replace('\x08','')
stderr = stderr.decode('utf-8').replace('\x08','')
if process.returncode != 0:
raise RuntimeError(f'{cmd} failed with returncode {process.returncode}')
raise RuntimeError(f"'{cmd}' failed with returncode {process.returncode}")
return stdout, stderr
@ -172,7 +173,7 @@ def scale_to_coprime(v):
m = (np.array(v) * reduce(lcm, map(lambda x: int(get_square_denominator(x)),v)) ** 0.5).astype(np.int)
m = m//reduce(np.gcd,m)
with np.errstate(divide='ignore'):
with np.errstate(invalid='ignore'):
if not np.allclose(np.ma.masked_invalid(v/m),v[np.argmax(abs(v))]/m[np.argmax(abs(v))]):
raise ValueError(f'Invalid result {m} for input {v}. Insufficient precision?')

52
python/tests/test_Geom.py
View File

@ -11,8 +11,8 @@ from damask import util
def geom_equal(a,b):
return np.all(a.materials == b.materials) and \
np.all(a.grid == b.grid) and \
return np.all(a.material == b.material) and \
np.all(a.grid == b.grid) and \
np.allclose(a.size, b.size) and \
str(a.diff(b)) == str(b.diff(a))
@ -38,7 +38,7 @@ class TestGeom:
def test_diff_not_equal(self,default):
new = Geom(default.materials[1:,1:,1:]+1,default.size*.9,np.ones(3)-default.origin,comments=['modified'])
new = Geom(default.material[1:,1:,1:]+1,default.size*.9,np.ones(3)-default.origin,comments=['modified'])
assert str(default.diff(new)) != ''
@ -93,28 +93,28 @@ class TestGeom:
def test_invalid_size(self,default):
with pytest.raises(ValueError):
Geom(default.materials[1:,1:,1:],
Geom(default.material[1:,1:,1:],
size=np.ones(2))
def test_invalid_origin(self,default):
with pytest.raises(ValueError):
Geom(default.materials[1:,1:,1:],
Geom(default.material[1:,1:,1:],
size=np.ones(3),
origin=np.ones(4))
def test_invalid_materials_shape(self,default):
materials = np.ones((3,3))
material = np.ones((3,3))
with pytest.raises(ValueError):
Geom(materials,
Geom(material,
size=np.ones(3))
def test_invalid_materials_type(self,default):
materials = np.random.randint(1,300,(3,4,5))==1
material = np.random.randint(1,300,(3,4,5))==1
with pytest.raises(TypeError):
Geom(materials)
Geom(material)
@pytest.mark.parametrize('directions,reflect',[
@ -205,10 +205,10 @@ class TestGeom:
def test_renumber(self,default):
materials = default.materials.copy()
for m in np.unique(materials):
materials[materials==m] = materials.max() + np.random.randint(1,30)
modified = Geom(materials,
material = default.material.copy()
for m in np.unique(material):
material[material==m] = material.max() + np.random.randint(1,30)
modified = Geom(material,
default.size,
default.origin)
assert not geom_equal(modified,default)
@ -218,13 +218,13 @@ class TestGeom:
def test_substitute(self,default):
offset = np.random.randint(1,500)
modified = Geom(default.materials + offset,
modified = Geom(default.material + offset,
default.size,
default.origin)
assert not geom_equal(modified,default)
assert geom_equal(default,
modified.substitute(np.arange(default.materials.max())+1+offset,
np.arange(default.materials.max())+1))
modified.substitute(np.arange(default.material.max())+1+offset,
np.arange(default.material.max())+1))
@pytest.mark.parametrize('axis_angle',[np.array([1,0,0,86.7]), np.array([0,1,0,90.4]), np.array([0,0,1,90]),
@ -251,7 +251,7 @@ class TestGeom:
grid = default.grid
grid_add = np.random.randint(0,30,(3))
modified = default.canvas(grid + grid_add)
assert np.all(modified.materials[:grid[0],:grid[1],:grid[2]] == default.materials)
assert np.all(modified.material[:grid[0],:grid[1],:grid[2]] == default.material)
@pytest.mark.parametrize('center1,center2',[(np.random.random(3)*.5,np.random.random()*8),
@ -271,7 +271,7 @@ class TestGeom:
s = np.random.random(3)+.5
G_1 = Geom(np.ones(g,'i'),s,o).add_primitive(diameter,center1,exponent)
G_2 = Geom(np.ones(g,'i'),s,o).add_primitive(diameter,center2,exponent)
assert np.count_nonzero(G_1.materials!=2) == np.count_nonzero(G_2.materials!=2)
assert np.count_nonzero(G_1.material!=2) == np.count_nonzero(G_2.material!=2)
@pytest.mark.parametrize('center',[np.random.randint(4,10,(3)),
@ -308,14 +308,14 @@ class TestGeom:
geom = Geom(m,np.random.rand(3)).vicinity_offset(vicinity,offset,trigger=trigger)
assert np.all(m2==geom.materials)
assert np.all(m2==geom.material)
@pytest.mark.parametrize('periodic',[True,False])
def test_vicinity_offset_invariant(self,default,periodic):
offset = default.vicinity_offset(trigger=[default.materials.max()+1,
default.materials.min()-1])
assert np.all(offset.materials==default.materials)
offset = default.vicinity_offset(trigger=[default.material.max()+1,
default.material.min()-1])
assert np.all(offset.material==default.material)
@pytest.mark.parametrize('periodic',[True,False])
@ -338,7 +338,7 @@ class TestGeom:
ms = np.random.randint(1, N_seeds+1)
weights[ms-1] = np.random.random()
Laguerre = Geom.from_Laguerre_tessellation(grid,size,seeds,weights,periodic=np.random.random()>0.5)
assert np.all(Laguerre.materials == ms)
assert np.all(Laguerre.material == ms)
@pytest.mark.parametrize('approach',['Laguerre','Voronoi'])
@ -346,10 +346,10 @@ class TestGeom:
grid = np.random.randint(5,10,3)*2
size = grid.astype(np.float)
seeds = np.vstack((size*np.array([0.5,0.25,0.5]),size*np.array([0.5,0.75,0.5])))
materials = np.ones(grid)
materials[:,grid[1]//2:,:] = 2
material = np.ones(grid)
material[:,grid[1]//2:,:] = 2
if approach == 'Laguerre':
geom = Geom.from_Laguerre_tessellation(grid,size,seeds,np.ones(2),periodic=np.random.random()>0.5)
elif approach == 'Voronoi':
geom = Geom.from_Voronoi_tessellation(grid,size,seeds, periodic=np.random.random()>0.5)
assert np.all(geom.materials == materials)
assert np.all(geom.material == material)

6
src/CPFEM.f90
View File

@ -106,7 +106,7 @@ subroutine CPFEM_init
num_commercialFEM, &
debug_CPFEM
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(6)
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
allocate(CPFEM_cs( 6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
allocate(CPFEM_dcsdE( 6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
@ -132,7 +132,7 @@ subroutine CPFEM_init
print'(a32,1x,6(i8,1x))', 'CPFEM_cs: ', shape(CPFEM_cs)
print'(a32,1x,6(i8,1x))', 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
print'(a32,1x,6(i8,1x),/)', 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
flush(6)
flush(IO_STDOUT)
endif
end subroutine CPFEM_init
@ -250,7 +250,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
'<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal
print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
flush(6)
flush(IO_STDOUT)
endif
endif

2
src/CPFEM2.f90
View File

@ -76,7 +76,7 @@ end subroutine CPFEM_initAll
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_init
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(6)
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
if (interface_restartInc > 0) call crystallite_restartRead

16
src/DAMASK_interface.f90
View File

@ -14,7 +14,7 @@
#define PETSC_MINOR_MAX 13
module DAMASK_interface
use, intrinsic :: iso_fortran_env
use, intrinsic :: ISO_fortran_env
use PETScSys
@ -82,7 +82,7 @@ subroutine DAMASK_interface_init
print'(/,a)', ' <<<+- DAMASK_interface init -+>>>'
open(6, encoding='UTF-8') ! for special characters in output
open(OUTPUT_unit, encoding='UTF-8') ! for special characters in output
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
#ifdef DEBUG
@ -101,8 +101,8 @@ subroutine DAMASK_interface_init
#endif
print*, achar(27)//'[0m'
print'(a)', ' Roters et al., Computational Materials Science 158:420–478, 2019'
print'(a)', ' https://doi.org/10.1016/j.commatsci.2018.04.030'
print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
print'(/,a)', ' Version: '//DAMASKVERSION
@ -373,7 +373,7 @@ function makeRelativePath(a,b)
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
do i = 1, min(1024,len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned)))
do i = 1, min(len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned)))
if (a_cleaned(i:i) /= b_cleaned(i:i)) exit
if (a_cleaned(i:i) == '/') posLastCommonSlash = i
enddo
@ -395,7 +395,7 @@ subroutine catchSIGTERM(signal) bind(C)
integer(C_INT), value :: signal
interface_SIGTERM = .true.
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGTERM=TRUE'
print'(a,i0,a)', ' received signal ',signal, ', set SIGTERM=TRUE'
end subroutine catchSIGTERM
@ -420,7 +420,7 @@ subroutine catchSIGUSR1(signal) bind(C)
integer(C_INT), value :: signal
interface_SIGUSR1 = .true.
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR1=TRUE'
print'(a,i0,a)', ' received signal ',signal, ', set SIGUSR1=TRUE'
end subroutine catchSIGUSR1
@ -445,7 +445,7 @@ subroutine catchSIGUSR2(signal) bind(C)
integer(C_INT), value :: signal
interface_SIGUSR2 = .true.
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR2=TRUE'
print'(a,i0,a)', ' received signal ',signal, ', set SIGUSR2=TRUE'
end subroutine catchSIGUSR2

2
src/DAMASK_marc.f90
View File

@ -30,7 +30,7 @@
module DAMASK_interface
use prec
#if __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
use, intrinsic :: ISO_fortran_env, only: &
compiler_version, &
compiler_options
#endif

61
src/IO.f90
View File

@ -6,6 +6,10 @@
!> @brief input/output functions
!--------------------------------------------------------------------------------------------------
module IO
use, intrinsic :: ISO_fortran_env, only: &
IO_STDOUT => OUTPUT_UNIT, &
IO_STDERR => ERROR_UNIT
use prec
implicit none
@ -16,7 +20,7 @@ module IO
character, parameter, public :: &
IO_EOL = new_line('DAMASK'), & !< end of line character
IO_COMMENT = '#'
character(len=*), parameter, private :: &
character(len=*), parameter :: &
IO_DIVIDER = '───────────────────'//&
'───────────────────'//&
'───────────────────'//&
@ -37,7 +41,8 @@ module IO
IO_stringAsFloat, &
IO_stringAsBool, &
IO_error, &
IO_warning
IO_warning, &
IO_STDOUT
contains
@ -47,7 +52,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine IO_init
print'(/,a)', ' <<<+- IO init -+>>>'; flush(6)
print'(/,a)', ' <<<+- IO init -+>>>'; flush(IO_STDOUT)
call selfTest
@ -538,29 +543,29 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
end select
!$OMP CRITICAL (write2out)
write(0,'(/,a)') ' ┌'//IO_DIVIDER//'┐'
write(0,'(a,24x,a,40x,a)') ' │','error', '│'
write(0,'(a,24x,i3,42x,a)') ' │',error_ID, '│'
write(0,'(a)') ' ├'//IO_DIVIDER//'┤'
write(IO_STDERR,'(/,a)') ' ┌'//IO_DIVIDER//'┐'
write(IO_STDERR,'(a,24x,a,40x,a)') ' │','error', '│'
write(IO_STDERR,'(a,24x,i3,42x,a)') ' │',error_ID, '│'
write(IO_STDERR,'(a)') ' ├'//IO_DIVIDER//'┤'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a4,a',max(1,len_trim(msg)),',',&
max(1,72-len_trim(msg)-4),'x,a)'
write(0,formatString) '│ ',trim(msg), '│'
write(IO_STDERR,formatString) '│ ',trim(msg), '│'
if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a4,a',max(1,len_trim(ext_msg)),',',&
max(1,72-len_trim(ext_msg)-4),'x,a)'
write(0,formatString) '│ ',trim(ext_msg), '│'
write(IO_STDERR,formatString) '│ ',trim(ext_msg), '│'
endif
if (present(el)) &
write(0,'(a19,1x,i9,44x,a3)') ' │ at element ',el, '│'
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at element ',el, '│'
if (present(ip)) &
write(0,'(a19,1x,i9,44x,a3)') ' │ at IP ',ip, '│'
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at IP ',ip, '│'
if (present(g)) &
write(0,'(a19,1x,i9,44x,a3)') ' │ at constituent',g, '│'
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at constituent',g, '│'
if (present(instance)) &
write(0,'(a19,1x,i9,44x,a3)') ' │ at instance ',instance, '│'
write(0,'(a,69x,a)') ' │', '│'
write(0,'(a)') ' └'//IO_DIVIDER//'┘'
flush(0)
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at instance ',instance, '│'
write(IO_STDERR,'(a,69x,a)') ' │', '│'
write(IO_STDERR,'(a)') ' └'//IO_DIVIDER//'┘'
flush(IO_STDERR)
call quit(9000+error_ID)
!$OMP END CRITICAL (write2out)
@ -623,27 +628,27 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
end select
!$OMP CRITICAL (write2out)
write(6,'(/,a)') ' ┌'//IO_DIVIDER//'┐'
write(6,'(a,24x,a,38x,a)') ' │','warning', '│'
write(6,'(a,24x,i3,42x,a)') ' │',warning_ID, '│'
write(6,'(a)') ' ├'//IO_DIVIDER//'┤'
write(IO_STDERR,'(/,a)') ' ┌'//IO_DIVIDER//'┐'
write(IO_STDERR,'(a,24x,a,38x,a)') ' │','warning', '│'
write(IO_STDERR,'(a,24x,i3,42x,a)') ' │',warning_ID, '│'
write(IO_STDERR,'(a)') ' ├'//IO_DIVIDER//'┤'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a4,a',max(1,len_trim(msg)),',',&
max(1,72-len_trim(msg)-4),'x,a)'
write(6,formatString) '│ ',trim(msg), '│'
write(IO_STDERR,formatString) '│ ',trim(msg), '│'
if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a4,a',max(1,len_trim(ext_msg)),',',&
max(1,72-len_trim(ext_msg)-4),'x,a)'
write(6,formatString) '│ ',trim(ext_msg), '│'
write(IO_STDERR,formatString) '│ ',trim(ext_msg), '│'
endif
if (present(el)) &
write(6,'(a19,1x,i9,44x,a3)') ' │ at element ',el, '│'
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at element ',el, '│'
if (present(ip)) &
write(6,'(a19,1x,i9,44x,a3)') ' │ at IP ',ip, '│'
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at IP ',ip, '│'
if (present(g)) &
write(6,'(a19,1x,i9,44x,a3)') ' │ at constituent',g, '│'
write(6,'(a,69x,a)') ' │', '│'
write(6,'(a)') ' └'//IO_DIVIDER//'┘'
flush(6)
write(IO_STDERR,'(a19,1x,i9,44x,a3)') ' │ at constituent',g, '│'
write(IO_STDERR,'(a,69x,a)') ' │', '│'
write(IO_STDERR,'(a)') ' └'//IO_DIVIDER//'┘'
flush(IO_STDERR)
!$OMP END CRITICAL (write2out)
end subroutine IO_warning

2
src/base64.f90
View File

@ -27,7 +27,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine base64_init
print'(/,a)', ' <<<+- base64 init -+>>>'; flush(6)
print'(/,a)', ' <<<+- base64 init -+>>>'; flush(IO_STDOUT)
call selfTest

8
src/config.f90
View File

@ -35,7 +35,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine config_init
print'(/,a)', ' <<<+- config init -+>>>'; flush(6)
print'(/,a)', ' <<<+- config init -+>>>'; flush(IO_STDOUT)
call parse_material
call parse_numerics
@ -59,7 +59,7 @@ subroutine parse_material
inquire(file=fname,exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg=fname)
endif
print*, 'reading '//fname; flush(6)
print*, 'reading '//fname; flush(IO_STDOUT)
config_material => YAML_parse_file(fname)
end subroutine parse_material
@ -75,7 +75,7 @@ subroutine parse_numerics
config_numerics => emptyDict
inquire(file='numerics.yaml', exist=fexist)
if (fexist) then
print*, 'reading numerics.yaml'; flush(6)
print*, 'reading numerics.yaml'; flush(IO_STDOUT)
config_numerics => YAML_parse_file('numerics.yaml')
endif
@ -92,7 +92,7 @@ subroutine parse_debug
config_debug => emptyDict
inquire(file='debug.yaml', exist=fexist)
fileExists: if (fexist) then
print*, 'reading debug.yaml'; flush(6)
print*, 'reading debug.yaml'; flush(IO_STDOUT)
config_debug => YAML_parse_file('debug.yaml')
endif fileExists

2
src/constitutive.f90
View File

@ -446,7 +446,7 @@ subroutine constitutive_init
call damage_init
call thermal_init
print'(/,a)', ' <<<+- constitutive init -+>>>'; flush(6)
print'(/,a)', ' <<<+- constitutive init -+>>>'; flush(IO_STDOUT)
constitutive_source_maxSizeDotState = 0
PhaseLoop2:do p = 1,phases%length

2
src/constitutive_plastic_disloTungsten.f90
View File

@ -100,7 +100,7 @@ module function plastic_disloTungsten_init() result(myPlasticity)
myPlasticity = plastic_active('disloTungsten')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'

2
src/constitutive_plastic_dislotwin.f90
View File

@ -147,7 +147,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
myPlasticity = plastic_active('dislotwin')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'

2
src/constitutive_plastic_isotropic.f90
View File

@ -71,7 +71,7 @@ module function plastic_isotropic_init() result(myPlasticity)
myPlasticity = plastic_active('isotropic')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'

2
src/constitutive_plastic_kinehardening.f90
View File

@ -83,7 +83,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
myPlasticity = plastic_active('kinehardening')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
allocate(param(Ninstance))

2
src/constitutive_plastic_none.f90
View File

@ -35,7 +35,7 @@ module function plastic_none_init() result(myPlasticity)
enddo
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
do p = 1, phases%length

28
src/constitutive_plastic_nonlocal.f90
View File

@ -189,7 +189,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
myPlasticity = plastic_active('nonlocal')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) then
call geometry_plastic_nonlocal_disable
return
@ -199,7 +199,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
print*, 'Kords, Dissertation RWTH Aachen, 2014'
print*, 'http://publications.rwth-aachen.de/record/229993'//IO_EOL
print*, 'http://publications.rwth-aachen.de/record/229993'
allocate(param(Ninstance))
allocate(state(Ninstance))
@ -741,10 +741,10 @@ module subroutine plastic_nonlocal_dependentState(F, Fp, instance, of, ip, el)
if (debugConstitutive%extensive &
.and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip)&
.or. .not. debugConstitutive%selective)) then
write(6,'(/,a,i8,1x,i2,1x,i1,/)') '<< CONST >> nonlocal_microstructure at el ip ',el,ip
write(6,'(a,/,12x,12(e10.3,1x))') '<< CONST >> rhoForest', stt%rho_forest(:,of)
write(6,'(a,/,12x,12(f10.5,1x))') '<< CONST >> tauThreshold / MPa', dst%tau_pass(:,of)*1e-6
write(6,'(a,/,12x,12(f10.5,1x),/)') '<< CONST >> tauBack / MPa', dst%tau_back(:,of)*1e-6
print'(/,a,i8,1x,i2,1x,i1,/)', '<< CONST >> nonlocal_microstructure at el ip ',el,ip
print'(a,/,12x,12(e10.3,1x))', '<< CONST >> rhoForest', stt%rho_forest(:,of)
print'(a,/,12x,12(f10.5,1x))', '<< CONST >> tauThreshold / MPa', dst%tau_pass(:,of)*1e-6
print'(a,/,12x,12(f10.5,1x),/)', '<< CONST >> tauBack / MPa', dst%tau_back(:,of)*1e-6
endif
#endif
@ -958,8 +958,8 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
if (debugConstitutive%extensive &
.and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip)&
.or. .not. debugConstitutive%selective)) then
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation remobilization', deltaRhoRemobilization(:,1:8)
write(6,'(a,/,10(12x,12(e12.5,1x),/),/)') '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
print'(a,/,8(12x,12(e12.5,1x),/))', '<< CONST >> dislocation remobilization', deltaRhoRemobilization(:,1:8)
print'(a,/,10(12x,12(e12.5,1x),/),/)', '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
endif
#endif
@ -1047,8 +1047,8 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
if (debugConstitutive%basic &
.and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip) &
.or. .not. debugConstitutive%selective)) then
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> rho / 1/m^2', rhoSgl, rhoDip
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> gdot / 1/s',gdot
print'(a,/,10(12x,12(e12.5,1x),/))', '<< CONST >> rho / 1/m^2', rhoSgl, rhoDip
print'(a,/,4(12x,12(e12.5,1x),/))', '<< CONST >> gdot / 1/s',gdot
endif
#endif
@ -1156,8 +1156,8 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
.or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
#ifdef DEBUG
if (debugConstitutive%extensive) then
write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
write(6,'(a)') '<< CONST >> enforcing cutback !!!'
print'(a,i5,a,i2)', '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
print'(a)', '<< CONST >> enforcing cutback !!!'
endif
#endif
plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
@ -1268,8 +1268,8 @@ function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
> IPvolume(ip,el) / maxval(IParea(:,ip,el)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
#ifdef DEBUG
if (debugConstitutive%extensive) then
write(6,'(a,i5,a,i2)') '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip
write(6,'(a,e10.3,a,e10.3)') '<< CONST >> velocity is at ', &
print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at el ',el,' ip ',ip
print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', &
maxval(abs(v0), abs(gdot) > 0.0_pReal &
.and. prm%CFLfactor * abs(v0) * timestep &
> IPvolume(ip,el) / maxval(IParea(:,ip,el))), &

2
src/constitutive_plastic_phenopowerlaw.f90
View File

@ -92,7 +92,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
myPlasticity = plastic_active('phenopowerlaw')
Ninstance = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
allocate(param(Ninstance))

4
src/crystallite.f90
View File

@ -294,7 +294,7 @@ subroutine crystallite_init
print'(a42,1x,i10)', ' # of elements: ', eMax
print'(a42,1x,i10)', ' # of integration points/element: ', iMax
print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -1561,7 +1561,7 @@ subroutine crystallite_restartWrite
integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName, datasetName
print*, ' writing field and constitutive data required for restart to file';flush(6)
print*, ' writing field and constitutive data required for restart to file';flush(IO_STDOUT)
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'a')

2
src/damage_local.f90
View File

@ -49,7 +49,7 @@ subroutine damage_local_init
homog, &
homogDamage
print'(/,a)', ' <<<+- damage_local init -+>>>'; flush(6)
print'(/,a)', ' <<<+- damage_local init -+>>>'; flush(IO_STDOUT)
!----------------------------------------------------------------------------------------------
! read numerics parameter and do sanity check

2
src/element.f90
View File

@ -922,7 +922,7 @@ subroutine tElement_init(self,elemType)
self%nIPneighbors = size(self%IPneighbor,1)
print'(/,a)', ' <<<+- element_init -+>>>'; flush(6)
print'(/,a)', ' <<<+- element_init -+>>>'; flush(IO_STDOUT)
print*, 'element type: ',self%elemType
print*, ' geom type: ',self%geomType

67
src/grid/DAMASK_grid.f90
View File

@ -99,10 +99,10 @@ program DAMASK_grid
! init DAMASK (all modules)
call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(IO_STDOUT)
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!--------------------------------------------------------------------------------------------------
! initialize field solver information
@ -263,56 +263,56 @@ program DAMASK_grid
reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase
print'(/,a,i0)', ' load case: ', currentLoadCase
if (.not. newLoadCase%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
print*, ' drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then
do j = 1, 3
if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
enddo
write(6,'(2x,a)') 'velocity gradient:'
print*, ' velocity gradient:'
else if (newLoadCase%deformation%myType == 'f') then
write(6,'(2x,a)') 'deformation gradient at end of load case:'
print*, ' deformation gradient at end of load case:'
else
write(6,'(2x,a)') 'deformation gradient rate:'
print*, ' deformation gradient rate:'
endif
do i = 1, 3; do j = 1, 3
if(newLoadCase%deformation%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
write(IO_STDOUT,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
else
write(6,'(2x,12a)',advance='no') ' * '
write(IO_STDOUT,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo; write(IO_STDOUT,'(/)',advance='no')
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. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:'
print*, ' stress / GPa:'
do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
write(IO_STDOUT,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
else
write(6,'(2x,12a)',advance='no') ' * '
write(IO_STDOUT,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo; write(IO_STDOUT,'(/)',advance='no')
enddo
if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain
if (any(dNeq(newLoadCase%rot%asMatrix(), math_I3))) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time
print'(a,f0.3)', ' time: ', newLoadCase%time
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs
print'(a,i0)', ' increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency
print'(a,i0)', ' output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) &
write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency
print'(a,i0)', ' restart frequency: ', newLoadCase%restartfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck
loadCases = [loadCases,newLoadCase] ! load case is ok, append it
@ -341,9 +341,8 @@ program DAMASK_grid
writeHeader: if (interface_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (debug_grid%contains('basic')) &
write(6,'(/,a)') ' header of statistics file written out'
flush(6)
if (debug_grid%contains('basic')) print'(/,a)', ' header of statistics file written out'
flush(IO_STDOUT)
else writeHeader
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD')
@ -351,7 +350,7 @@ program DAMASK_grid
endif
writeUndeformed: if (interface_restartInc < 1) then
write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
print'(/,a)', ' ... writing initial configuration to file ........................'
call CPFEM_results(0,0.0_pReal)
endif writeUndeformed
@ -397,8 +396,8 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! report begin of new step
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5,6(a,i0))') &
print'(/,a)', ' ###########################################################################'
print'(1x,a,es12.5,6(a,i0))', &
'Time', time, &
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
@ -406,7 +405,7 @@ program DAMASK_grid
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-', stepFraction,'/',subStepFactor**cutBackLevel
flush(6)
flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! forward fields
@ -475,7 +474,7 @@ program DAMASK_grid
cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
write(6,'(/,a)') ' cutting back '
print'(/,a)', ' cutting back '
else ! no more options to continue
call IO_warning(850)
if (worldrank == 0) close(statUnit)
@ -487,14 +486,14 @@ program DAMASK_grid
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................'
flush(6)
print'(1/,a)', ' ... writing results to file ......................................'
flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,time)
endif
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
@ -510,7 +509,7 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################'
print'(/,a)', ' ###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)

54
src/grid/discretization_grid.f90
View File

@ -56,7 +56,7 @@ subroutine discretization_grid_init(restart)
myGrid !< domain grid of this process
integer, dimension(:), allocatable :: &
microstructureAt
materialAt
integer :: &
j, &
@ -65,12 +65,12 @@ subroutine discretization_grid_init(restart)
integer(C_INTPTR_T) :: &
devNull, z, z_offset
write(6,'(/,a)') ' <<<+- discretization_grid init -+>>>'; flush(6)
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
if(index(interface_geomFile,'.vtr') /= 0) then
call readVTR(grid,geomSize,origin,microstructureAt)
call readVTR(grid,geomSize,origin,materialAt)
else
call readGeom(grid,geomSize,origin,microstructureAt)
call readGeom(grid,geomSize,origin,materialAt)
endif
print'(/,a,3(i12 ))', ' grid a b c: ', grid
@ -102,15 +102,14 @@ subroutine discretization_grid_init(restart)
!--------------------------------------------------------------------------------------------------
! general discretization
microstructureAt = microstructureAt(product(grid(1:2))*grid3Offset+1: &
product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI
materialAt = materialAt(product(grid(1:2))*grid3Offset+1:product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI
call discretization_init(microstructureAt, &
call discretization_init(materialAt, &
IPcoordinates0(myGrid,mySize,grid3Offset), &
Nodes0(myGrid,mySize,grid3Offset),&
merge((grid(1)+1) * (grid(2)+1) * (grid3+1),& ! write bottom layer
(grid(1)+1) * (grid(2)+1) * grid3,& ! do not write bottom layer (is top of rank-1)
worldrank<1))
merge((grid(1)+1) * (grid(2)+1) * (grid3+1),& ! write top layer...
(grid(1)+1) * (grid(2)+1) * grid3,& ! ...unless not last process
worldrank+1==worldsize))
FEsolving_execElem = [1,product(myGrid)] ! parallel loop bounds set to comprise all elements
FEsolving_execIP = [1,1] ! parallel loop bounds set to comprise the only IP
@ -147,7 +146,7 @@ end subroutine discretization_grid_init
!> @details important variables have an implicit "save" attribute. Therefore, this function is
! supposed to be called only once!
!--------------------------------------------------------------------------------------------------
subroutine readGeom(grid,geomSize,origin,microstructure)
subroutine readGeom(grid,geomSize,origin,material)
integer, dimension(3), intent(out) :: &
grid ! grid (across all processes!)
@ -155,7 +154,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
geomSize, & ! size (across all processes!)
origin ! origin (across all processes!)
integer, dimension(:), intent(out), allocatable :: &
microstructure
material
character(len=:), allocatable :: rawData
character(len=65536) :: line
@ -167,7 +166,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
startPos, endPos, &
myStat, &
l, & !< line counter
c, & !< counter for # microstructures in line
c, & !< counter for # materials in line
o, & !< order of "to" packing
e, & !< "element", i.e. spectral collocation point
i, j
@ -266,7 +265,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
if(any(geomSize < 0.0_pReal)) &
call IO_error(error_ID = 842, ext_msg='size (readGeom)')
allocate(microstructure(product(grid)), source = -1) ! too large in case of MPI (shrink later, not very elegant)
allocate(material(product(grid)), source = -1) ! too large in case of MPI (shrink later, not very elegant)
!--------------------------------------------------------------------------------------------------
! read and interpret content
@ -281,18 +280,18 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
noCompression: if (chunkPos(1) /= 3) then
c = chunkPos(1)
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
material(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
else noCompression
compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then
c = IO_intValue(line,chunkPos,1)
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,3),i = 1,IO_intValue(line,chunkPos,1))]
material(e:e+c-1) = [(IO_intValue(line,chunkPos,3),i = 1,IO_intValue(line,chunkPos,1))]
else if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to') then compression
c = abs(IO_intValue(line,chunkPos,3) - IO_intValue(line,chunkPos,1)) + 1
o = merge(+1, -1, IO_intValue(line,chunkPos,3) > IO_intValue(line,chunkPos,1))
microstructure(e:e+c-1) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)]
material(e:e+c-1) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)]
else compression
c = chunkPos(1)
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
material(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
endif compression
endif noCompression
@ -308,7 +307,7 @@ end subroutine readGeom
!> @brief Parse vtk rectilinear grid (.vtr)
!> @details https://vtk.org/Wiki/VTK_XML_Formats
!--------------------------------------------------------------------------------------------------
subroutine readVTR(grid,geomSize,origin,microstructure)
subroutine readVTR(grid,geomSize,origin,material)
integer, dimension(3), intent(out) :: &
grid ! grid (across all processes!)
@ -316,7 +315,7 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
geomSize, & ! size (across all processes!)
origin ! origin (across all processes!)
integer, dimension(:), intent(out), allocatable :: &
microstructure
material
character(len=:), allocatable :: fileContent, dataType, headerType
logical :: inFile,inGrid,gotCoordinates,gotCellData,compressed
@ -364,11 +363,9 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
else
if(index(fileContent(startPos:endPos),'<CellData>',kind=pI64) /= 0_pI64) then
gotCellData = .true.
startPos = endPos + 2_pI64
do while (index(fileContent(startPos:endPos),'</CellData>',kind=pI64) == 0_pI64)
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
if(index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64 .and. &
getXMLValue(fileContent(startPos:endPos),'Name') == 'materialpoint' ) then
getXMLValue(fileContent(startPos:endPos),'Name') == 'material' ) then
if(getXMLValue(fileContent(startPos:endPos),'format') /= 'binary') &
call IO_error(error_ID = 844, ext_msg='format (materialpoint)')
@ -377,10 +374,11 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
s = startPos + verify(fileContent(startPos:endPos),IO_WHITESPACE,kind=pI64) -1_pI64 ! start (no leading whitespace)
microstructure = as_Int(fileContent(s:endPos),headerType,compressed,dataType)
material = as_Int(fileContent(s:endPos),headerType,compressed,dataType)
exit
endif
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
enddo
elseif(index(fileContent(startPos:endPos),'<Coordinates>',kind=pI64) /= 0_pI64) then
gotCoordinates = .true.
@ -415,10 +413,10 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
end do
if(.not. allocated(microstructure)) call IO_error(error_ID = 844, ext_msg='materialpoint not found')
if(size(microstructure) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(materialpoint)')
if(any(geomSize<=0)) call IO_error(error_ID = 844, ext_msg='size')
if(any(grid<1)) call IO_error(error_ID = 844, ext_msg='grid')
if(.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found')
if(size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)')
if(any(geomSize<=0)) call IO_error(error_ID = 844, ext_msg='size')
if(any(grid<1)) call IO_error(error_ID = 844, ext_msg='grid')
contains

42
src/grid/grid_damage_spectral.f90
View File

@ -22,42 +22,38 @@ module grid_damage_spectral
implicit none
private
type, private :: tNumerics
type :: tNumerics
integer :: &
itmax !< max number of iterations
itmax !< maximum number of iterations
real(pReal) :: &
residualStiffness, & !< non-zero residual damage
eps_damage_atol, & !< absolute tolerance for damage evolution
eps_damage_rtol !< relative tolerance for damage evolution
end type tNumerics
type(tNumerics), private :: num
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams), private :: params
type(tNumerics) :: num
type(tSolutionParams) :: params
!--------------------------------------------------------------------------------------------------
! PETSc data
SNES, private :: damage_snes
Vec, private :: solution_vec
PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
real(pReal), private, dimension(:,:,:), allocatable :: &
SNES :: damage_snes
Vec :: solution_vec
PetscInt :: xstart, xend, ystart, yend, zstart, zend
real(pReal), dimension(:,:,:), allocatable :: &
phi_current, & !< field of current damage
phi_lastInc, & !< field of previous damage
phi_stagInc !< field of staggered damage
!--------------------------------------------------------------------------------------------------
! reference diffusion tensor, mobility etc.
integer, private :: totalIter = 0 !< total iteration in current increment
real(pReal), dimension(3,3), private :: K_ref
real(pReal), private :: mu_ref
integer :: totalIter = 0 !< total iteration in current increment
real(pReal), dimension(3,3) :: K_ref
real(pReal) :: mu_ref
public :: &
grid_damage_spectral_init, &
grid_damage_spectral_solution, &
grid_damage_spectral_forward
private :: &
formResidual
contains
@ -77,10 +73,10 @@ subroutine grid_damage_spectral_init
character(len=pStringLen) :: &
snes_type
write(6,'(/,a)') ' <<<+- grid_spectral_damage init -+>>>'
print'(/,a)', ' <<<+- grid_spectral_damage init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
@ -152,8 +148,6 @@ subroutine grid_damage_spectral_init
allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! damage reference diffusion update
call updateReference
end subroutine grid_damage_spectral_init
@ -210,11 +204,11 @@ function grid_damage_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMin(solution_vec,devNull,phi_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
write(6,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
print'(/,a)', ' ... nonlocal damage converged .....................................'
write(IO_STDOUT,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
phi_min, phi_max, stagNorm
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end function grid_damage_spectral_solution

37
src/grid/grid_mech_FEM.f90
View File

@ -122,7 +122,7 @@ subroutine grid_mech_FEM_init
PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(IO_STDOUT)
!-----------------------------------------------------------------------------------------------
! debugging options
@ -130,13 +130,12 @@ subroutine grid_mech_FEM_init
debugRotation = debug_grid%contains('rotation')
!-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks
! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol', defaultVal=0.01_pReal)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
@ -225,7 +224,7 @@ subroutine grid_mech_FEM_init
!--------------------------------------------------------------------------------------------------
! init fields
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
@ -254,7 +253,7 @@ subroutine grid_mech_FEM_init
CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -304,11 +303,11 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr);CHKERRQ(ierr)
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(mech_snes,reason,ierr);CHKERRQ(ierr)
call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr)
solution%converged = reason > 0
solution%iterationsNeeded = totalIter
@ -353,7 +352,7 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
F_aim_lastInc = F_aim
!--------------------------------------------------------------------------------------------------
!-----------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
F_aimDot = &
@ -414,7 +413,7 @@ subroutine grid_mech_FEM_restartWrite
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -476,13 +475,13 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
!--------------------------------------------------------------------------------------------------
! report
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -516,13 +515,13 @@ subroutine formResidual(da_local,x_local, &
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(IO_STDOUT)
endif newIteration
!--------------------------------------------------------------------------------------------------
@ -541,7 +540,7 @@ subroutine formResidual(da_local,x_local, &
!--------------------------------------------------------------------------------------------------
! evaluate constitutive response
call Utilities_constitutiveResponse(P_current,&
call utilities_constitutiveResponse(P_current,&
P_av,C_volAvg,devNull, &
F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)

38
src/grid/grid_mech_spectral_basic.f90
View File

@ -42,8 +42,7 @@ module grid_mech_spectral_basic
type(tNumerics) :: num ! numerics parameters. Better name?
logical, private:: &
debugRotation
logical, private :: debugRotation
!--------------------------------------------------------------------------------------------------
! PETSc data
@ -110,13 +109,13 @@ subroutine grid_mech_spectral_basic_init
character(len=pStringLen) :: &
fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(IO_STDOUT)
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! debugging options
@ -132,7 +131,6 @@ subroutine grid_mech_spectral_basic_init
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol',defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol',defaultVal=0.01_pReal)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
@ -186,7 +184,7 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
@ -211,7 +209,7 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -377,7 +375,7 @@ subroutine grid_mech_spectral_basic_restartWrite
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
print'(a)', ' writing solver data required for restart to file'; flush(IO_STDOUT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -437,13 +435,13 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
!--------------------------------------------------------------------------------------------------
! report
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -475,13 +473,13 @@ subroutine formResidual(in, F, &
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(IO_STDOUT)
endif newIteration
!--------------------------------------------------------------------------------------------------

35
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -123,10 +123,10 @@ subroutine grid_mech_spectral_polarisation_init
character(len=pStringLen) :: &
fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(IO_STDOUT)
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!------------------------------------------------------------------------------------------------
! debugging options
@ -134,9 +134,8 @@ subroutine grid_mech_spectral_polarisation_init
debugRotation = debug_grid%contains('rotation')
!-------------------------------------------------------------------------------------------------
! read numerical parameters
! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
@ -207,7 +206,7 @@ subroutine grid_mech_spectral_polarisation_init
F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
@ -236,7 +235,7 @@ subroutine grid_mech_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -434,7 +433,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -498,15 +497,15 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
!--------------------------------------------------------------------------------------------------
! report
write(6,'(1/,a)') ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -558,13 +557,13 @@ subroutine formResidual(in, FandF_tau, &
! begin of new iteration
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if(debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(IO_STDOUT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(IO_STDOUT)
endif newIteration
!--------------------------------------------------------------------------------------------------

34
src/grid/grid_thermal_spectral.f90
View File

@ -23,20 +23,17 @@ module grid_thermal_spectral
implicit none
private
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams) :: params
type :: tNumerics
integer :: &
itmax !< maximum number of iterations
itmax !< maximum number of iterations
real(pReal) :: &
eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
eps_thermal_rtol !< relative tolerance for thermal equilibrium
eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
eps_thermal_rtol !< relative tolerance for thermal equilibrium
end type tNumerics
type(tNumerics) :: num
type(tSolutionParams) :: params
!--------------------------------------------------------------------------------------------------
! PETSc data
SNES :: thermal_snes
@ -74,13 +71,13 @@ subroutine grid_thermal_spectral_init
class(tNode), pointer :: &
num_grid
write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>'
print'(/,a)', ' <<<+- grid_thermal_spectral init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks
! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
@ -94,8 +91,7 @@ subroutine grid_thermal_spectral_init
! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,&
num_grid%get_asString('petsc_options',defaultVal=''),ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
@ -110,7 +106,7 @@ subroutine grid_thermal_spectral_init
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
grid(1),grid(2),grid(3), & ! global grid
1, 1, worldsize, &
1, 0, & ! #dof (thermal phase field), ghost boundary width (domain overlap)
1, 0, & ! #dof (T field), ghost boundary width (domain overlap)
[grid(1)],[grid(2)],localK, & ! local grid
thermal_grid,ierr) ! handle, error
CHKERRQ(ierr)
@ -159,8 +155,6 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
timeinc_old !< increment in time of last increment
integer :: i, j, k, cell
type(tSolutionState) :: solution
class(tNode), pointer :: &
num_grid
PetscInt :: devNull
PetscReal :: T_min, T_max, stagNorm, solnNorm
@ -204,11 +198,11 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
write(6,'(/,a)') ' ... thermal conduction converged ..................................'
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
print'(/,a)', ' ... thermal conduction converged ..................................'
write(IO_STDOUT,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
T_min, T_max, stagNorm
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end function grid_thermal_spectral_solution

44
src/grid/spectral_utilities.f90
View File

@ -208,10 +208,10 @@ subroutine spectral_utilities_init
debugPETSc = debug_grid%contains('petsc')
if(debugPETSc) write(6,'(3(/,a),/)') &
if(debugPETSc) print'(3(/,a),/)', &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
' add more using the PETSc_Options keyword in numerics.yaml '; flush(IO_STDOUT)
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
@ -280,7 +280,7 @@ subroutine spectral_utilities_init
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)
print*, 'FFTW initialized'; flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! MPI allocation
@ -506,8 +506,8 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
logical :: err
write(6,'(/,a)') ' ... doing gamma convolution ...............................................'
flush(6)
print'(/,a)', ' ... doing gamma convolution ...............................................'
flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation (mechanical equilibrium)
@ -576,8 +576,8 @@ real(pReal) function utilities_divergenceRMS()
integer :: i, j, k, ierr
complex(pReal), dimension(3) :: rescaledGeom
write(6,'(/,a)') ' ... calculating divergence ................................................'
flush(6)
print'(/,a)', ' ... calculating divergence ................................................'
flush(IO_STDOUT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -620,8 +620,8 @@ real(pReal) function utilities_curlRMS()
complex(pReal), dimension(3,3) :: curl_fourier
complex(pReal), dimension(3) :: rescaledGeom
write(6,'(/,a)') ' ... calculating curl ......................................................'
flush(6)
print'(/,a)', ' ... calculating curl ......................................................'
flush(IO_STDOUT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -700,10 +700,10 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
temp99_real = math_3333to99(rot_BC%rotate(C))
if(debugGeneral) then
write(6,'(/,a)') ' ... updating masked compliance ............................................'
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
print'(/,a)', ' ... updating masked compliance ............................................'
write(IO_STDOUT,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
transpose(temp99_Real)*1.0e-9_pReal
flush(6)
flush(IO_STDOUT)
endif
do i = 1,9; do j = 1,9
@ -723,9 +723,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
if (debugGeneral .or. errmatinv) then
write(formatString, '(i2)') size_reduced
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
write(6,trim(formatString),advance='no') ' C * S (load) ', &
write(IO_STDOUT,trim(formatString),advance='no') ' C * S (load) ', &
transpose(matmul(c_reduced,s_reduced))
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
write(IO_STDOUT,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
endif
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
@ -736,9 +736,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
utilities_maskedCompliance = math_99to3333(temp99_Real)
if(debugGeneral) then
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
write(IO_STDOUT,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
flush(6)
flush(IO_STDOUT)
endif
end function utilities_maskedCompliance
@ -822,8 +822,8 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
real(pReal) :: dPdF_norm_max, dPdF_norm_min
real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
flush(6)
print'(/,a)', ' ... evaluating constitutive response ......................................'
flush(IO_STDOUT)
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
@ -833,13 +833,13 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (debugRotation) &
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
transpose(P_av)*1.e-6_pReal
if(present(rotation_BC)) &
P_av = rotation_BC%rotate(P_av)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
flush(IO_STDOUT)
dPdF_max = 0.0_pReal
dPdF_norm_max = 0.0_pReal
@ -1095,7 +1095,7 @@ subroutine utilities_saveReferenceStiffness
fileUnit,ierr
if (worldrank == 0) then
write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
print'(a)', ' writing reference stiffness data required for restart to file'; flush(IO_STDOUT)
open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
status='replace',access='stream',action='write',iostat=ierr)
if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')

2
src/homogenization.f90
View File

@ -186,7 +186,7 @@ subroutine homogenization_init
materialpoint_F = materialpoint_F0 ! initialize to identity
allocate(materialpoint_P(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(6)
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
num%nMPstate = num_homogGeneric%get_asInt ('nMPstate', defaultVal=10)
num%subStepMinHomog = num_homogGeneric%get_asFloat('subStepMin', defaultVal=1.0e-3_pReal)

28
src/homogenization_mech_RGC.f90
View File

@ -95,7 +95,7 @@ module subroutine mech_RGC_init(num_homogMech)
print'(/,a)', ' <<<+- homogenization_mech_rgc init -+>>>'
Ninstance = count(homogenization_type == HOMOGENIZATION_RGC_ID)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
print*, 'Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
@ -247,7 +247,7 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
print'(1x,3(e15.8,1x))',(F(i,j,iGrain), j = 1,3)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
enddo
@ -376,7 +376,7 @@ module procedure mech_RGC_updateState
'@ grain ',stresLoc(3),' in component ',stresLoc(1),stresLoc(2)
print'(a,e15.8,a,i3,a,i2)',' Max residual: ',residMax, &
' @ iface ',residLoc(1),' in direction ',residLoc(2)
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -388,7 +388,7 @@ module procedure mech_RGC_updateState
mech_RGC_updateState = .true.
#ifdef DEBUG
if (debugHomog%extensive .and. prm%of_debug == of) &
print*, '... done and happy'; flush(6)
print*, '... done and happy'; flush(IO_STDOUT)
#endif
!--------------------------------------------------------------------------------------------------
@ -416,7 +416,7 @@ module procedure mech_RGC_updateState
print'(a,e15.8,/)', ' Volume discrepancy: ', dst%volumeDiscrepancy(of)
print'(a,e15.8)', ' Maximum relaxation rate: ', dst%relaxationRate_max(of)
print'(a,e15.8,/)', ' Average relaxation rate: ', dst%relaxationRate_avg(of)
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -429,7 +429,7 @@ module procedure mech_RGC_updateState
#ifdef DEBUG
if (debugHomog%extensive .and. prm%of_debug == of) &
print'(a,/)', ' ... broken'; flush(6)
print'(a,/)', ' ... broken'; flush(IO_STDOUT)
#endif
return
@ -437,7 +437,7 @@ module procedure mech_RGC_updateState
else ! proceed with computing the Jacobian and state update
#ifdef DEBUG
if (debugHomog%extensive .and. prm%of_debug == of) &
print'(a,/)', ' ... not yet done'; flush(6)
print'(a,/)', ' ... not yet done'; flush(IO_STDOUT)
#endif
endif
@ -499,7 +499,7 @@ module procedure mech_RGC_updateState
print'(1x,100(e11.4,1x))',(smatrix(i,j), j = 1,3*nIntFaceTot)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -559,7 +559,7 @@ module procedure mech_RGC_updateState
print'(1x,100(e11.4,1x))',(pmatrix(i,j), j = 1,3*nIntFaceTot)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -578,7 +578,7 @@ module procedure mech_RGC_updateState
print'(1x,100(e11.4,1x))',(rmatrix(i,j), j = 1,3*nIntFaceTot)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -593,7 +593,7 @@ module procedure mech_RGC_updateState
print'(1x,100(e11.4,1x))',(jmatrix(i,j), j = 1,3*nIntFaceTot)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -609,7 +609,7 @@ module procedure mech_RGC_updateState
print'(1x,100(e11.4,1x))',(jnverse(i,j), j = 1,3*nIntFaceTot)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif
@ -625,7 +625,7 @@ module procedure mech_RGC_updateState
!$OMP CRITICAL (write2out)
print'(a,i3,a,i3,a)',' RGC_updateState: ip ',ip,' | el ',el,' enforces cutback'
print'(a,e15.8)',' due to large relaxation change = ',maxval(abs(drelax))
flush(6)
flush(IO_STDOUT)
!$OMP END CRITICAL (write2out)
endif
@ -636,7 +636,7 @@ module procedure mech_RGC_updateState
print'(1x,2(e15.8,1x))', stt%relaxationVector(i,of)
enddo
print*,' '
flush(6)
flush(IO_STDOUT)
endif
#endif

2
src/homogenization_mech_isostrain.f90
View File

@ -40,7 +40,7 @@ module subroutine mech_isostrain_init
print'(/,a)', ' <<<+- homogenization_mech_isostrain init -+>>>'
Ninstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
allocate(param(Ninstance)) ! one container of parameters per instance

2
src/homogenization_mech_none.f90
View File

@ -21,7 +21,7 @@ module subroutine mech_none_init
print'(/,a)', ' <<<+- homogenization_mech_none init -+>>>'
Ninstance = count(homogenization_type == HOMOGENIZATION_NONE_ID)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
do h = 1, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle

2
src/kinematics_cleavage_opening.f90
View File

@ -49,7 +49,7 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
myKinematics = kinematics_active('cleavage_opening',kinematics_length)
Ninstance = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/kinematics_slipplane_opening.f90
View File

@ -52,7 +52,7 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
myKinematics = kinematics_active('slipplane_opening',kinematics_length)
Ninstance = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/kinematics_thermal_expansion.f90
View File

@ -42,7 +42,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
myKinematics = kinematics_active('thermal_expansion',kinematics_length)
Ninstance = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/lattice.f90
View File

@ -457,7 +457,7 @@ subroutine lattice_init
phase, &
elasticity
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(6)
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
phases => config_material%get('phase')
Nphases = phases%length

41
src/marc/discretization_marc.f90
View File

@ -52,7 +52,7 @@ subroutine discretization_marc_init
type(tElement) :: elem
integer, dimension(:), allocatable :: &
microstructureAt
materialAt
integer:: &
Nnodes, & !< total number of nodes in the mesh
Nelems, & !< total number of elements in the mesh
@ -70,7 +70,7 @@ subroutine discretization_marc_init
class(tNode), pointer :: &
num_commercialFEM
write(6,'(/,a)') ' <<<+- discretization_marc init -+>>>'; flush(6)
print'(/,a)', ' <<<+- discretization_marc init -+>>>'; flush(6)
!---------------------------------------------------------------------------------
! read debug parameters
@ -83,7 +83,7 @@ subroutine discretization_marc_init
mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
call inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
call inputRead(elem,node0_elem,connectivity_elem,materialAt)
nElems = size(connectivity_elem,2)
if (debug_e < 1 .or. debug_e > nElems) call IO_error(602,ext_msg='element')
@ -103,7 +103,7 @@ subroutine discretization_marc_init
call buildIPcoordinates(IP_reshaped,reshape(connectivity_cell,[elem%NcellNodesPerCell,&
elem%nIPs*nElems]),node0_cell)
call discretization_init(microstructureAt,&
call discretization_init(materialAt,&
IP_reshaped,&
node0_cell)
@ -172,7 +172,7 @@ end subroutine writeGeometry
!--------------------------------------------------------------------------------------------------
!> @brief Read mesh from marc input file
!--------------------------------------------------------------------------------------------------
subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
subroutine inputRead(elem,node0_elem,connectivity_elem,materialAt)
type(tElement), intent(out) :: elem
real(pReal), dimension(:,:), allocatable, intent(out) :: &
@ -180,7 +180,7 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
integer, dimension(:,:), allocatable, intent(out) :: &
connectivity_elem
integer, dimension(:), allocatable, intent(out) :: &
microstructureAt
materialAt
integer :: &
fileFormatVersion, &
@ -226,9 +226,9 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
connectivity_elem = inputRead_connectivityElem(nElems,elem%nNodes,inputFile)
call inputRead_microstructure(microstructureAt, &
nElems,elem%nNodes,nameElemSet,mapElemSet,&
initialcondTableStyle,inputFile)
call inputRead_material(materialAt, &
nElems,elem%nNodes,nameElemSet,mapElemSet,&
initialcondTableStyle,inputFile)
end subroutine inputRead
@ -675,13 +675,13 @@ end function inputRead_connectivityElem
!--------------------------------------------------------------------------------------------------
!> @brief Store microstructure ID
!> @brief Store material ID
!--------------------------------------------------------------------------------------------------
subroutine inputRead_microstructure(microstructureAt,&
nElem,nNodes,nameElemSet,mapElemSet,initialcondTableStyle,fileContent)
subroutine inputRead_material(materialAt,&
nElem,nNodes,nameElemSet,mapElemSet,initialcondTableStyle,fileContent)
integer, dimension(:), allocatable, intent(out) :: &
microstructureAt
materialAt
integer, intent(in) :: &
nElem, &
nNodes, & !< number of nodes per element
@ -696,7 +696,7 @@ subroutine inputRead_microstructure(microstructureAt,&
integer :: i,j,t,sv,myVal,e,nNodesAlreadyRead,l,k,m
allocate(microstructureAt(nElem),source=0)
allocate(materialAt(nElem),source=0)
do l = 1, size(fileContent)
chunkPos = IO_stringPos(fileContent(l))
@ -715,7 +715,7 @@ subroutine inputRead_microstructure(microstructureAt,&
contInts = continuousIntValues(fileContent(l+k+m+1:),nElem,nameElemSet,mapElemSet,size(nameElemSet)) ! get affected elements
do i = 1,contInts(1)
e = mesh_FEM2DAMASK_elem(contInts(1+i))
microstructureAt(e) = myVal
materialAt(e) = myVal
enddo
if (initialcondTableStyle == 0) m = m + 1
enddo
@ -723,9 +723,9 @@ subroutine inputRead_microstructure(microstructureAt,&
endif
enddo
if(any(microstructureAt < 1)) call IO_error(180)
if(any(materialAt < 1)) call IO_error(180)
end subroutine inputRead_microstructure
end subroutine inputRead_material
!--------------------------------------------------------------------------------------------------
@ -1030,10 +1030,9 @@ pure function IPareaNormal(elem,nElem,connectivity,node)
IPareaNormal(1:3,f,i,e) = math_cross(nodePos(1:3,2) - nodePos(1:3,1), &
nodePos(1:3,3) - nodePos(1:3,1))
case (4) ! 3D 8node
! for this cell type we get the normal of the quadrilateral face as an average of
! four normals of triangular subfaces; since the face consists only of two triangles,
! the sum has to be divided by two; this whole prcedure tries to compensate for
! probable non-planar cell surfaces
! Get the normal of the quadrilateral face as the average of four normals of triangular
! subfaces. Since the face consists only of two triangles, the sum has to be divided
! by two. This procedure tries to compensate for probable non-planar cell surfaces
IPareaNormal(1:3,f,i,e) = 0.0_pReal
do n = 1, m
IPareaNormal(1:3,f,i,e) = IPareaNormal(1:3,f,i,e) &

127
src/material.f90
View File

@ -164,7 +164,7 @@ subroutine material_init(restart)
material_homogenization
character(len=pStringLen) :: sectionName
print'(/,a)', ' <<<+- material init -+>>>'; flush(6)
print'(/,a)', ' <<<+- material init -+>>>'; flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(material_name_phase(phases%length))
@ -181,10 +181,10 @@ subroutine material_init(restart)
enddo
call material_parseMicrostructure
print*, ' Microstructure parsed'
print*, 'Microstructure parsed'
call material_parseHomogenization
print*, ' Homogenization parsed'
print*, 'Homogenization parsed'
if(homogenization_maxNgrains > size(material_phaseAt,1)) call IO_error(148)
@ -227,6 +227,7 @@ end subroutine material_init
!--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration
! ToDo: This should be done in homogenization
!--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization
@ -320,100 +321,78 @@ end subroutine material_parseHomogenization
!--------------------------------------------------------------------------------------------------
subroutine material_parseMicrostructure
class(tNode), pointer :: microstructure, & !> pointer to microstructure list
constituentsInMicrostructure, & !> pointer to a microstructure list item
constituents, & !> pointer to constituents list
constituent, & !> pointer to each constituent
class(tNode), pointer :: microstructures, & !> list of microstructures
microstructure, & !> microstructure definition
constituents, & !> list of constituents
constituent, & !> constituent definition
phases, &
homogenization
integer, dimension(:), allocatable :: &
CounterPhase, &
CounterHomogenization
real(pReal), dimension(:,:), allocatable :: &
microstructure_fraction !< vol fraction of each constituent in microstrcuture
counterPhase, &
counterHomogenization
real(pReal) :: &
frac
integer :: &
e, &
i, &
m, &
c, &
microstructure_maxNconstituents
maxNconstituents
real(pReal), dimension(4) :: phase_orientation
microstructures => config_material%get('microstructure')
if(any(discretization_microstructureAt > microstructures%length)) &
call IO_error(155,ext_msg='More microstructures requested than found in material.yaml')
homogenization => config_material%get('homogenization')
phases => config_material%get('phase')
microstructure => config_material%get('microstructure')
allocate(microstructure_Nconstituents(microstructure%length), source = 0)
if(any(discretization_microstructureAt > microstructure%length)) &
call IO_error(155,ext_msg='More microstructures in geometry than sections in material.yaml')
do m = 1, microstructure%length
constituentsInMicrostructure => microstructure%get(m)
constituents => constituentsInMicrostructure%get('constituents')
allocate(microstructure_Nconstituents(microstructures%length),source=0)
do m = 1, microstructures%length
microstructure => microstructures%get(m)
constituents => microstructure%get('constituents')
microstructure_Nconstituents(m) = constituents%length
enddo
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
allocate(microstructure_fraction(microstructure_maxNconstituents,microstructure%length), source =0.0_pReal)
allocate(material_phaseAt(microstructure_maxNconstituents,discretization_nElem), source =0)
allocate(material_orientation0(microstructure_maxNconstituents,discretization_nIP,discretization_nElem))
allocate(material_homogenizationAt(discretization_nElem))
maxNconstituents = maxval(microstructure_Nconstituents)
allocate(material_homogenizationAt(discretization_nElem),source=0)
allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0)
allocate(material_phaseMemberAt(microstructure_maxNconstituents,discretization_nIP,discretization_nElem),source=0)
allocate(material_phaseAt(maxNconstituents,discretization_nElem),source=0)
allocate(material_phaseMemberAt(maxNconstituents,discretization_nIP,discretization_nElem),source=0)
allocate(CounterPhase(phases%length),source=0)
allocate(CounterHomogenization(homogenization%length),source=0)
allocate(material_orientation0(maxNconstituents,discretization_nIP,discretization_nElem))
phases => config_material%get('phase')
allocate(counterPhase(phases%length),source=0)
homogenization => config_material%get('homogenization')
allocate(counterHomogenization(homogenization%length),source=0)
do m = 1, microstructure%length
constituentsInMicrostructure => microstructure%get(m)
constituents => constituentsInMicrostructure%get('constituents')
do e = 1, discretization_nElem
microstructure => microstructures%get(discretization_microstructureAt(e))
constituents => microstructure%get('constituents')
material_homogenizationAt(e) = homogenization%getIndex(microstructure%get_asString('homogenization'))
do i = 1, discretization_nIP
counterHomogenization(material_homogenizationAt(e)) = counterHomogenization(material_homogenizationAt(e)) + 1
material_homogenizationMemberAt(i,e) = counterHomogenization(material_homogenizationAt(e))
enddo
frac = 0.0_pReal
do c = 1, constituents%length
constituent => constituents%get(c)
microstructure_fraction(c,m) = constituent%get_asFloat('fraction')
enddo
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg='constituent')
enddo
do e = 1, discretization_nElem
do i = 1, discretization_nIP
constituentsInMicrostructure => microstructure%get(discretization_microstructureAt(e))
constituents => constituentsInMicrostructure%get('constituents')
do c = 1, constituents%length
constituent => constituents%get(c)
material_phaseAt(c,e) = phases%getIndex(constituent%get_asString('phase'))
phase_orientation = constituent%get_asFloats('orientation')
call material_orientation0(c,i,e)%fromQuaternion(phase_orientation)
frac = frac + constituent%get_asFloat('fraction')
material_phaseAt(c,e) = phases%getIndex(constituent%get_asString('phase'))
do i = 1, discretization_nIP
counterPhase(material_phaseAt(c,e)) = counterPhase(material_phaseAt(c,e)) + 1
material_phaseMemberAt(c,i,e) = counterPhase(material_phaseAt(c,e))
call material_orientation0(c,i,e)%fromQuaternion(constituent%get_asFloats('orientation',requiredSize=4))
enddo
enddo
if (dNeq(frac,1.0_pReal)) call IO_error(153,ext_msg='constituent')
enddo
do e = 1, discretization_nElem
do i = 1, discretization_nIP
constituentsInMicrostructure => microstructure%get(discretization_microstructureAt(e))
material_homogenizationAt(e) = homogenization%getIndex(constituentsInMicrostructure%get_asString('homogenization'))
CounterHomogenization(material_homogenizationAt(e)) = CounterHomogenization(material_homogenizationAt(e)) + 1
material_homogenizationMemberAt(i,e) = CounterHomogenization(material_homogenizationAt(e))
enddo
enddo
do e = 1, discretization_nElem
do i = 1, discretization_nIP
constituentsInMicrostructure => microstructure%get(discretization_microstructureAt(e))
constituents => constituentsInMicrostructure%get('constituents')
do c = 1, constituents%length
CounterPhase(material_phaseAt(c,e)) = &
CounterPhase(material_phaseAt(c,e)) + 1
material_phaseMemberAt(c,i,e) = CounterPhase(material_phaseAt(c,e))
enddo
enddo
enddo
end subroutine material_parseMicrostructure

2
src/math.f90
View File

@ -91,7 +91,7 @@ subroutine math_init
class(tNode), pointer :: &
num_generic
print'(/,a)', ' <<<+- math init -+>>>'; flush(6)
print'(/,a)', ' <<<+- math init -+>>>'; flush(IO_STDOUT)
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)

34
src/mesh/DAMASK_mesh.f90
View File

@ -78,7 +78,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'; flush(6)
print'(/,a)', ' <<<+- DAMASK_mesh init -+>>>'; flush(IO_STDOUT)
!---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks
@ -208,30 +208,30 @@ program DAMASK_mesh
errorID = 0
checkLoadcases: do currentLoadCase = 1, size(loadCases)
write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
print'(a,i0)', ' load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
print'(a)', ' drop guessing along trajectory'
do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_MECH_label)
print'(a)', ' Field '//trim(FIELD_MECH_label)
end select
do faceSet = 1, mesh_Nboundaries
do component = 1, loadCases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask(faceSet)) &
write(6,'(4x,a,i2,a,i2,a,f12.7)') 'Face ', mesh_boundaries(faceSet), &
print'(a,i2,a,i2,a,f12.7)', ' Face ', mesh_boundaries(faceSet), &
' Component ', component, &
' Value ', loadCases(currentLoadCase)%fieldBC(field)% &
componentBC(component)%Value(faceSet)
enddo
enddo
enddo
write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
print'(a,f12.6)', ' time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
print'(a,i5)', ' increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', &
print'(a,i5)', ' output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
enddo checkLoadcases
@ -290,8 +290,8 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! report begin of new step
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5,6(a,i0))')&
print'(/,a)', ' ###########################################################################'
print'(1x,a,es12.5,6(a,i0))',&
'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
@ -299,7 +299,7 @@ program DAMASK_mesh
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-',stepFraction, '/', subStepFactor**cutBackLevel
flush(6)
flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! forward fields
@ -338,7 +338,7 @@ program DAMASK_mesh
cutBack = .False.
if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
if (cutBackLevel < maxCutBack) then ! do cut back
write(6,'(/,a)') ' cut back detected'
print'(/,a)', ' cut back detected'
cutBack = .True.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1
@ -360,13 +360,13 @@ program DAMASK_mesh
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................'
print'(/,a)', ' ... writing results to file ......................................'
call CPFEM_results(totalIncsCounter,time)
endif
@ -378,7 +378,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################'
print'(/,a)', ' ###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)

2
src/mesh/FEM_quadrature.f90
View File

@ -37,7 +37,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine FEM_quadrature_init
write(6,'(/,a)') ' <<<+- FEM_quadrature init -+>>>'; flush(6)
print'(/,a)', ' <<<+- FEM_quadrature init -+>>>'; flush(6)
!--------------------------------------------------------------------------------------------------
! 2D linear

8
src/mesh/FEM_utilities.f90
View File

@ -110,7 +110,7 @@ subroutine FEM_utilities_init
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- FEM_utilities init -+>>>'
print'(/,a)', ' <<<+- FEM_utilities init -+>>>'
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
@ -118,11 +118,11 @@ subroutine FEM_utilities_init
debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
debugPETSc = debug_mesh%contains('petsc')
if(debugPETSc) write(6,'(3(/,a),/)') &
if(debugPETSc) print'(3(/,a),/)', &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml '
flush(6)
flush(IO_STDOUT)
call PetscOptionsClear(PETSC_NULL_OPTIONS,ierr)
CHKERRQ(ierr)
if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
@ -158,7 +158,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
PetscErrorCode :: ierr
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
print'(/,a)', ' ... evaluating constitutive response ......................................'
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field

2
src/mesh/discretization_mesh.f90
View File

@ -83,7 +83,7 @@ subroutine discretization_mesh_init(restart)
num_mesh
integer :: integrationOrder !< order of quadrature rule required
write(6,'(/,a)') ' <<<+- discretization_mesh init -+>>>'
print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
!--------------------------------------------------------------------------------
! read numerics parameter

12
src/mesh/mesh_mech_FEM.f90
View File

@ -110,7 +110,7 @@ subroutine FEM_mech_init(fieldBC)
class(tNode), pointer :: &
num_mesh
write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>'; flush(6)
print'(/,a)', ' <<<+- FEM_mech init -+>>>'; flush(IO_STDOUT)
!-----------------------------------------------------------------------------
! read numerical parametes and do sanity checks
@ -318,8 +318,8 @@ type(tSolutionState) function FEM_mech_solution( &
CHKERRQ(ierr)
endif
write(6,'(/,a)') ' ==========================================================================='
flush(6)
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end function FEM_mech_solution
@ -679,12 +679,12 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
call SNESConvergedDefault(snes_local,PETScIter,xnorm,snorm,fnorm/divTol,reason,dummy,ierr)
CHKERRQ(ierr)
if (terminallyIll) reason = SNES_DIVERGED_FUNCTION_DOMAIN
write(6,'(1/,1x,a,a,i0,a,i0,f0.3)') trim(incInfo), &
print'(/,1x,a,a,i0,a,i0,f0.3)', trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
write(IO_STDOUT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
flush(IO_STDOUT)
end subroutine FEM_mech_converged

22
src/parallelization.f90
View File

@ -3,8 +3,8 @@
!> @brief Inquires variables related to parallelization (openMP, MPI)
!--------------------------------------------------------------------------------------------------
module parallelization
use prec
use, intrinsic :: iso_fortran_env
use, intrinsic :: ISO_fortran_env, only: &
OUTPUT_UNIT
#ifdef PETSc
#include <petsc/finclude/petscsys.h>
@ -12,6 +12,8 @@ module parallelization
#endif
!$ use OMP_LIB
use prec
implicit none
private
@ -29,14 +31,14 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine parallelization_init
integer :: err, typeSize
integer :: err, typeSize
!$ integer :: got_env, DAMASK_NUM_THREADS, threadLevel
!$ character(len=6) NumThreadsString
#ifdef PETSc
PetscErrorCode :: petsc_err
#else
print'(/,a)', ' <<<+- parallelization init -+>>>'; flush(6)
print'(/,a)', ' <<<+- parallelization init -+>>>'; flush(OUTPUT_UNIT)
#endif
#ifdef PETSc
@ -69,14 +71,10 @@ subroutine parallelization_init
if (typeSize*8 /= storage_size(0.0_pReal)) error stop 'Mismatch between MPI and DAMASK real'
#endif
mainProcess: if (worldrank == 0) then
if (output_unit /= 6) error stop 'STDOUT != 6'
if (error_unit /= 0) error stop 'STDERR != 0'
else mainProcess
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
endif mainProcess
if (worldrank /= 0) then
close(OUTPUT_UNIT) ! disable output
open(OUTPUT_UNIT,file='/dev/null',status='replace') ! close() alone will leave some temp files in cwd
endif
!$ call get_environment_variable(name='DAMASK_NUM_THREADS',value=NumThreadsString,STATUS=got_env)
!$ if(got_env /= 0) then

2
src/prec.f90
View File

@ -8,7 +8,7 @@
!--------------------------------------------------------------------------------------------------
module prec
use, intrinsic :: IEEE_arithmetic
use, intrinsic :: ISO_C_Binding
use, intrinsic :: ISO_C_binding
implicit none
public

2
src/results.f90
View File

@ -65,7 +65,7 @@ subroutine results_init(restart)
character(len=pStringLen) :: commandLine
print'(/,a)', ' <<<+- results init -+>>>'; flush(6)
print'(/,a)', ' <<<+- results init -+>>>'; flush(IO_STDOUT)
print*, 'Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL

2
src/rotations.f90
View File

@ -104,7 +104,7 @@ contains
subroutine rotations_init
call quaternions_init
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(6)
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(IO_STDOUT)
print*, 'Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
print*, 'https://doi.org/10.1088/0965-0393/23/8/083501'

2
src/source_damage_anisoBrittle.f90
View File

@ -53,7 +53,7 @@ module function source_damage_anisoBrittle_init(source_length) result(mySources)
mySources = source_active('damage_anisoBrittle',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/source_damage_anisoDuctile.f90
View File

@ -47,7 +47,7 @@ module function source_damage_anisoDuctile_init(source_length) result(mySources)
mySources = source_active('damage_anisoDuctile',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/source_damage_isoBrittle.f90
View File

@ -43,7 +43,7 @@ module function source_damage_isoBrittle_init(source_length) result(mySources)
mySources = source_active('damage_isoBrittle',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/source_damage_isoDuctile.f90
View File

@ -45,7 +45,7 @@ module function source_damage_isoDuctile_init(source_length) result(mySources)
mySources = source_active('damage_isoDuctile',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/source_thermal_dissipation.f90
View File

@ -41,7 +41,7 @@ module function source_thermal_dissipation_init(source_length) result(mySources)
mySources = source_active('thermal_dissipation',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')

2
src/source_thermal_externalheat.f90
View File

@ -45,7 +45,7 @@ module function source_thermal_externalheat_init(source_length) result(mySources
mySources = source_active('thermal_externalheat',source_length)
Ninstance = count(mySources)
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
if(Ninstance == 0) return
phases => config_material%get('phase')