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DAMASK_EICMD
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Merge remote-tracking branch 'origin/development' into 32_NewStyleNonlocal-3

This commit is contained in:
Martin Diehl 2019-02-16 18:12:15 +01:00
parent d78bf18483 e1525cc529
commit 0ba8ebff1e
43 changed files with 5547 additions and 3217 deletions
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63
.gitlab-ci.yml
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@ -7,9 +7,9 @@ stages:
- compilePETScGNU
- prepareSpectral
- spectral
- compileMarc2018_1
- compileMarc
- marc
- compileAbaqus2017
- compileAbaqus
- example
- performance
- createPackage
@ -51,39 +51,37 @@ variables:
# Names of module files to load
# ===============================================================================================
# ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016"
IntelCompiler16_4: "Compiler/Intel/16.4 Libraries/IMKL/2016-4"
IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017"
IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018"
GNUCompiler7_3: "Compiler/GNU/7.3"
IntelCompiler16_4: "Compiler/Intel/16.4 Libraries/IMKL/2016"
IntelCompiler17_8: "Compiler/Intel/17.8 Libraries/IMKL/2017"
IntelCompiler18_4: "Compiler/Intel/18.4 Libraries/IMKL/2018"
GNUCompiler8_2: "Compiler/GNU/8.2"
# ------------ Defaults ----------------------------------------------
IntelCompiler: "$IntelCompiler18_1"
GNUCompiler: "$GNUCompiler7_3"
IntelCompiler: "$IntelCompiler18_4"
GNUCompiler: "$GNUCompiler8_2"
# ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1"
MPICH3_2GNU7_3: "MPI/GNU/7.3/MPICH/3.2.1"
IMPI2018Intel18_4: "MPI/Intel/18.4/IntelMPI/2018"
MPICH3_3GNU8_2: "MPI/GNU/8.2/MPICH/3.3"
# ------------ Defaults ----------------------------------------------
MPICH_Intel: "$MPICH3_2Intel18_1"
MPICH_GNU: "$MPICH3_2GNU7_3"
MPICH_Intel: "$IMPI2018Intel18_4"
MPICH_GNU: "$MPICH3_3GNU8_2"
# ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
PETSc3_10_0MPICH3_2Intel18_1: "Libraries/PETSc/3.10.0/Intel-18.1-MPICH-3.2.1"
PETSc3_10_0MPICH3_2GNU7_3: "Libraries/PETSc/3.10.0/GNU-7.3-MPICH-3.2.1"
PETSc3_10_3IMPI2018Intel18_4: "Libraries/PETSc/3.10.3/Intel-18.4-IntelMPI-2018"
PETSc3_10_3MPICH3_3GNU8_2: "Libraries/PETSc/3.10.3/GNU-8.2-MPICH-3.3"
# ------------ Defaults ----------------------------------------------
PETSc_MPICH_Intel: "$PETSc3_10_0MPICH3_2Intel18_1"
PETSc_MPICH_GNU: "$PETSc3_10_0MPICH3_2GNU7_3"
PETSc_MPICH_Intel: "$PETSc3_10_3IMPI2018Intel18_4"
PETSc_MPICH_GNU: "$PETSc3_10_3MPICH3_3GNU8_2"
# ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
Abaqus2017: "FEM/Abaqus/2017"
Abaqus2019: "FEM/Abaqus/2019"
MSC2018_1: "FEM/MSC/2018.1"
MSC2017: "FEM/MSC/2017"
# ------------ Defaults ----------------------------------------------
Abaqus: "$Abaqus2017"
Abaqus: "$Abaqus2019"
MSC: "$MSC2018_1"
IntelMarc: "$IntelCompiler17_0"
IntelMarc: "$IntelCompiler17_8"
IntelAbaqus: "$IntelCompiler16_4"
# ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
Doxygen1_8_13: "Documentation/Doxygen/1.8.13"
Doxygen1_8_15: "Documentation/Doxygen/1.8.15"
# ------------ Defaults ----------------------------------------------
Doxygen: "$Doxygen1_8_13"
Doxygen: "$Doxygen1_8_15"
###################################################################################################
@ -158,6 +156,13 @@ Post_AverageDown:
- master
- release
Post_ASCIItable:
stage: postprocessing
script: ASCIItable/test.py
except:
- master
- release
Post_General:
stage: postprocessing
script: PostProcessing/test.py
@ -383,9 +388,9 @@ TextureComponents:
###################################################################################################
Marc_compileIfort2018_1:
stage: compileMarc2018_1
stage: compileMarc
script:
- module load $IntelCompiler17_0 $MSC2018_1
- module load $IntelMarc $MSC
- Marc_compileIfort/test.py -m 2018.1
except:
- master
@ -430,11 +435,11 @@ J2_plasticBehavior:
- release
###################################################################################################
Abaqus_compile2017:
stage: compileAbaqus2017
Abaqus_compile:
stage: compileAbaqus
script:
- module load $IntelCompiler16_4 $Abaqus2017
- Abaqus_compileIfort/test.py -a 2017
- module load $IntelAbaqus $Abaqus
- Abaqus_compileIfort/test.py
except:
- master
- release

2
CONFIG
View File

@ -8,6 +8,6 @@ set DAMASK_NUM_THREADS = 4
set MSC_ROOT = /opt/msc
set MARC_VERSION = 2018.1
set ABAQUS_VERSION = 2017
set ABAQUS_VERSION = 2019
set DAMASK_HDF5 = OFF

2
PRIVATE

@ -1 +1 @@
Subproject commit beb9682fff7d4d6c65aba12ffd04c7441dc6ba6b
Subproject commit 18ba1ba6a5e9ba446dc9311acf2acf2781614db1

1
README
View File

@ -10,3 +10,4 @@ Germany
Email: DAMASK@mpie.de
https://damask.mpie.de
https://magit1.mpie.de

2
VERSION
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@ -1 +1 @@
v2.0.2-1689-g1a471bcd
v2.0.2-1789-g524bfb8c

2
processing/post/addCumulative.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys

2
processing/post/addDerivative.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys

7
processing/post/addLinked.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
@ -21,7 +21,7 @@ Add data of selected column(s) from (first) row of linked ASCIItable that shares
parser.add_option('--link',
dest = 'link', nargs = 2,
type = 'string', metavar = 'string string',
help = 'column labels containing linked values')
help = 'column labels of table and linked table containing linking values')
parser.add_option('-l','--label',
dest = 'label',
action = 'extend', metavar = '<string LIST>',
@ -105,7 +105,8 @@ for name in filenames:
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
try:
table.data_append(data[np.argwhere(np.all((map(float,table.data[myLink:myLink+myLinkDim]) - index)==0,axis=1))[0]]) # add data of first matching line
table.data_append(data[np.argwhere(np.all((list(map(float,table.data[myLink:myLink+myLinkDim])) - index)==0,
axis=1))[0]]) # add data of first matching line
except IndexError:
table.data_append(np.nan*np.ones_like(data[0])) # or add NaNs
outputAlive = table.data_write() # output processed line

2
processing/post/addTable.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys

2
processing/post/blowUp.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys

2
processing/post/vtk_addGridData.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk

2
processing/post/vtk_addPointcloudData.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk

2
processing/post/vtk_addRectilinearGridData.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk

2
processing/post/vtk_pointcloud.py
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@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,vtk

2
processing/post/vtk_rectilinearGrid.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,vtk

47
processing/pre/geom_grainGrowth.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
@ -49,7 +49,7 @@ parser.set_defaults(d = 1,
(options, filenames) = parser.parse_args()
options.immutable = map(int,options.immutable)
options.immutable = list(map(int,options.immutable))
getInterfaceEnergy = lambda A,B: np.float32((A*B != 0)*(A != B)*1.0) # 1.0 if A & B are distinct & nonzero, 0.0 otherwise
struc = ndimage.generate_binary_structure(3,1) # 3D von Neumann neighborhood
@ -70,9 +70,9 @@ for name in filenames:
table.head_read()
info,extra_header = table.head_getGeom()
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
damask.util.croak(['grid a b c: {}'.format(' x '.join(list(map(str,info['grid'])))),
'size x y z: {}'.format(' x '.join(list(map(str,info['size'])))),
'origin x y z: {}'.format(' : '.join(list(map(str,info['origin'])))),
'homogenization: {}'.format(info['homogenization']),
'microstructures: {}'.format(info['microstructures']),
])
@ -102,9 +102,9 @@ for name in filenames:
gauss = np.exp(-(X*X + Y*Y + Z*Z)/(2.0*options.d*options.d),dtype=np.float32) \
/np.power(2.0*np.pi*options.d*options.d,(3.0 - np.count_nonzero(info['grid'] == 1))/2.,dtype=np.float32)
gauss[:,:,:grid[2]/2:-1] = gauss[:,:,1:(grid[2]+1)/2] # trying to cope with uneven (odd) grid size
gauss[:,:grid[1]/2:-1,:] = gauss[:,1:(grid[1]+1)/2,:]
gauss[:grid[0]/2:-1,:,:] = gauss[1:(grid[0]+1)/2,:,:]
gauss[:,:,:grid[2]//2:-1] = gauss[:,:,1:(grid[2]+1)//2] # trying to cope with uneven (odd) grid size
gauss[:,:grid[1]//2:-1,:] = gauss[:,1:(grid[1]+1)//2,:]
gauss[:grid[0]//2:-1,:,:] = gauss[1:(grid[0]+1)//2,:,:]
gauss = np.fft.rfftn(gauss).astype(np.complex64)
for smoothIter in range(options.N):
@ -119,9 +119,9 @@ for name in filenames:
microstructure,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,
grid[1]/2:-grid[1]/2,
grid[2]/2:-grid[2]/2]
periodic_interfaceEnergy = np.tile(interfaceEnergy,(3,3,3))[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2]
# transform bulk volume (i.e. where interfacial energy remained zero), store index of closest boundary voxel
index = ndimage.morphology.distance_transform_edt(periodic_interfaceEnergy == 0.,
@ -148,15 +148,15 @@ for name in filenames:
ndimage.morphology.binary_dilation(interfaceEnergy > 0.,
structure = struc,
iterations = int(round(options.d*2.))-1),# fat boundary
periodic_bulkEnergy[grid[0]/2:-grid[0]/2, # retain filled energy on fat boundary...
grid[1]/2:-grid[1]/2,
grid[2]/2:-grid[2]/2], # ...and zero everywhere else
periodic_bulkEnergy[grid[0]//2:-grid[0]//2, # retain filled energy on fat boundary...
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2], # ...and zero everywhere else
0.)).astype(np.complex64) *
gauss).astype(np.float32)
periodic_diffusedEnergy = np.tile(diffusedEnergy,(3,3,3))[grid[0]/2:-grid[0]/2,
grid[1]/2:-grid[1]/2,
grid[2]/2:-grid[2]/2] # periodically extend the smoothed bulk energy
periodic_diffusedEnergy = np.tile(diffusedEnergy,(3,3,3))[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # periodically extend the smoothed bulk energy
# transform voxels close to interface region
@ -164,15 +164,15 @@ for name in filenames:
return_distances = False,
return_indices = True) # want index of closest bulk grain
periodic_microstructure = np.tile(microstructure,(3,3,3))[grid[0]/2:-grid[0]/2,
grid[1]/2:-grid[1]/2,
grid[2]/2:-grid[2]/2] # periodically extend the microstructure
periodic_microstructure = np.tile(microstructure,(3,3,3))[grid[0]//2:-grid[0]//2,
grid[1]//2:-grid[1]//2,
grid[2]//2:-grid[2]//2] # periodically extend the microstructure
microstructure = periodic_microstructure[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
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 microstructures with closest mutable ones
index = ndimage.morphology.distance_transform_edt(np.in1d(microstructure,options.immutable).reshape(grid),
@ -236,3 +236,4 @@ for name in filenames:
# --- output finalization --------------------------------------------------------------------------
table.close()

12
processing/pre/geom_toTable.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
@ -48,11 +48,11 @@ for name in filenames:
table.head_read()
info,extra_header = table.head_getGeom()
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
'size x y z: %s'%(' x '.join(map(str,info['size']))),
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
'homogenization: %i'%info['homogenization'],
'microstructures: %i'%info['microstructures'],
damask.util.croak(['grid a b c: {}'.format(' x '.join(list(map(str,info['grid'])))),
'size x y z: {}'.format(' x '.join(list(map(str,info['size'])))),
'origin x y z: {}'.format(' : '.join(list(map(str,info['origin'])))),
'homogenization: {}'.format(info['homogenization']),
'microstructures: {}'.format(info['microstructures']),
])
errors = []

17
processing/pre/seeds_fromDistribution.py
View File

@ -1,10 +1,11 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import threading,time,os,sys,random
import numpy as np
from optparse import OptionParser
from cStringIO import StringIO
from io import StringIO
import binascii
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
@ -96,7 +97,7 @@ class myThread (threading.Thread):
perturbedGeomVFile = StringIO()
perturbedSeedsVFile.reset()
perturbedGeomVFile.write(damask.util.execute('geom_fromVoronoiTessellation '+
' -g '+' '.join(map(str, options.grid)),streamIn=perturbedSeedsVFile)[0])
' -g '+' '.join(list(map(str, options.grid))),streamIn=perturbedSeedsVFile)[0])
perturbedGeomVFile.reset()
#--- evaluate current seeds file ----------------------------------------------------------------------
@ -214,7 +215,7 @@ options = parser.parse_args()[0]
damask.util.report(scriptName,options.seedFile)
if options.randomSeed is None:
options.randomSeed = int(os.urandom(4).encode('hex'), 16)
options.randomSeed = int(binascii.hexlify(os.urandom(4)),16)
damask.util.croak(options.randomSeed)
delta = (options.scale/options.grid[0],options.scale/options.grid[1],options.scale/options.grid[2])
baseFile=os.path.splitext(os.path.basename(options.seedFile))[0]
@ -240,17 +241,17 @@ if os.path.isfile(os.path.splitext(options.seedFile)[0]+'.seeds'):
for line in initialSeedFile: bestSeedsVFile.write(line)
else:
bestSeedsVFile.write(damask.util.execute('seeds_fromRandom'+\
' -g '+' '.join(map(str, options.grid))+\
' -g '+' '.join(list(map(str, options.grid)))+\
' -r {:d}'.format(options.randomSeed)+\
' -N '+str(nMicrostructures))[0])
bestSeedsUpdate = time.time()
# ----------- tessellate initial seed file to get and evaluate geom file
bestSeedsVFile.reset()
bestSeedsVFile.seek(0)
initialGeomVFile = StringIO()
initialGeomVFile.write(damask.util.execute('geom_fromVoronoiTessellation '+
' -g '+' '.join(map(str, options.grid)),bestSeedsVFile)[0])
initialGeomVFile.reset()
' -g '+' '.join(list(map(str, options.grid))),bestSeedsVFile)[0])
initialGeomVFile.seek(0)
initialGeomTable = damask.ASCIItable(initialGeomVFile,None,labeled=False,readonly=True)
initialGeomTable.head_read()
info,devNull = initialGeomTable.head_getGeom()

13
python/damask/solver/abaqus.py
View File

@ -2,7 +2,7 @@
from .solver import Solver
import damask
import subprocess,re
import subprocess
class Abaqus(Solver):
@ -15,14 +15,13 @@ class Abaqus(Solver):
def return_run_command(self,model):
env=damask.Environment()
shortVersion = re.sub('[\.,-]', '',self.version)
try:
cmd='abq'+shortVersion
subprocess.check_output(['abq'+shortVersion,'information=release'])
cmd='abq'+self.version
subprocess.check_output([cmd,'information=release'])
except OSError: # link to abqXXX not existing
cmd='abaqus'
process = subprocess.Popen(['abaqus','information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
detectedVersion = process.stdout.readlines()[1].split()[1]
detectedVersion = process.stdout.readlines()[1].split()[1].decode('utf-8')
if self.version != detectedVersion:
raise Exception('found Abaqus version %s, but requested %s'%(detectedVersion,self.version))
return '%s -job %s -user %s/src/DAMASK_abaqus interactive'%(cmd,model,env.rootDir())
raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,env.rootDir())

43
src/CMakeLists.txt
View File

@ -7,6 +7,7 @@ endif()
# The dependency detection in CMake is not functioning for Fortran,
# hence we declare the dependencies from top to bottom in the following
add_library(C_ROUTINES OBJECT "C_routines.c")
set(OBJECTFILES $<TARGET_OBJECTS:C_ROUTINES>)
@ -17,6 +18,10 @@ list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
add_library(PREC OBJECT "prec.f90")
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
add_library(ELEMENT OBJECT "element.f90")
add_dependencies(ELEMENT PREC)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:ELEMENT>)
add_library(QUIT OBJECT "quit.f90")
add_dependencies(QUIT PREC)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:QUIT>)
@ -34,7 +39,7 @@ add_dependencies(NUMERICS IO)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:NUMERICS>)
add_library(DEBUG OBJECT "debug.f90")
add_dependencies(DEBUG NUMERICS)
add_dependencies(DEBUG IO)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DEBUG>)
add_library(DAMASK_CONFIG OBJECT "config.f90")
@ -42,7 +47,7 @@ add_dependencies(DAMASK_CONFIG DEBUG)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_CONFIG>)
add_library(HDF5_UTILITIES OBJECT "HDF5_utilities.f90")
add_dependencies(HDF5_UTILITIES DAMASK_CONFIG)
add_dependencies(HDF5_UTILITIES DAMASK_CONFIG NUMERICS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:HDF5_UTILITIES>)
add_library(RESULTS OBJECT "results.f90")
@ -50,24 +55,28 @@ add_dependencies(RESULTS HDF5_UTILITIES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:RESULTS>)
add_library(FEsolving OBJECT "FEsolving.f90")
add_dependencies(FEsolving RESULTS)
add_dependencies(FEsolving DEBUG)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEsolving>)
add_library(DAMASK_MATH OBJECT "math.f90")
add_dependencies(DAMASK_MATH FEsolving)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_MATH>)
add_library(MATH OBJECT "math.f90")
add_dependencies(MATH NUMERICS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATH>)
add_library(MESH_BASE OBJECT "mesh_base.f90")
add_dependencies(MESH_BASE ELEMENT)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH_BASE>)
# SPECTRAL solver and FEM solver use different mesh files
if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(MESH OBJECT "mesh.f90")
add_dependencies(MESH DAMASK_MATH)
add_library(MESH OBJECT "mesh_grid.f90")
add_dependencies(MESH MESH_BASE MATH FEsolving)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH>)
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(FEZoo OBJECT "FEM_zoo.f90")
add_dependencies(FEZoo DAMASK_MATH)
add_dependencies(FEZoo IO)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEZoo>)
add_library(MESH OBJECT "meshFEM.f90")
add_dependencies(MESH FEZoo)
add_library(MESH OBJECT "mesh_FEM.f90")
add_dependencies(MESH FEZoo MESH_BASE MATH FEsolving)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH>)
endif()
@ -75,9 +84,9 @@ add_library(MATERIAL OBJECT "material.f90")
add_dependencies(MATERIAL MESH DAMASK_CONFIG)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATERIAL>)
add_library(DAMASK_HELPERS OBJECT "lattice.f90")
add_dependencies(DAMASK_HELPERS MATERIAL)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_HELPERS>)
add_library(LATTICE OBJECT "lattice.f90")
add_dependencies(LATTICE MATERIAL)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:LATTICE>)
# For each modular section
add_library (PLASTIC OBJECT
@ -88,14 +97,14 @@ add_library (PLASTIC OBJECT
"plastic_kinematichardening.f90"
"plastic_nonlocal.f90"
"plastic_none.f90")
add_dependencies(PLASTIC DAMASK_HELPERS)
add_dependencies(PLASTIC LATTICE RESULTS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PLASTIC>)
add_library (KINEMATICS OBJECT
"kinematics_cleavage_opening.f90"
"kinematics_slipplane_opening.f90"
"kinematics_thermal_expansion.f90")
add_dependencies(KINEMATICS DAMASK_HELPERS)
add_dependencies(KINEMATICS LATTICE RESULTS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:KINEMATICS>)
add_library (SOURCE OBJECT
@ -105,7 +114,7 @@ add_library (SOURCE OBJECT
"source_damage_isoDuctile.f90"
"source_damage_anisoBrittle.f90"
"source_damage_anisoDuctile.f90")
add_dependencies(SOURCE DAMASK_HELPERS)
add_dependencies(SOURCE LATTICE RESULTS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:SOURCE>)
add_library(CONSTITUTIVE OBJECT "constitutive.f90")

15
src/CPFEM.f90
View File

@ -140,8 +140,7 @@ subroutine CPFEM_init
restartRead, &
modelName
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
theMesh
use material, only: &
material_phase, &
homogState, &
@ -168,10 +167,9 @@ subroutine CPFEM_init
flush(6)
endif mainProcess
! initialize stress and jacobian to zero
allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal
allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal
allocate(CPFEM_dcsdE_knownGood(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE_knownGood = 0.0_pReal
allocate(CPFEM_cs( 6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE( 6,6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE_knownGood(6,6,theMesh%elem%nIPs,theMesh%Nelems), source= 0.0_pReal)
! *** restore the last converged values of each essential variable from the binary file
if (restartRead) then
@ -289,8 +287,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
math_6toSym33
use mesh, only: &
mesh_FEasCP, &
mesh_NcpElems, &
mesh_maxNips, &
theMesh, &
mesh_element
use material, only: &
microstructure_elemhomo, &
@ -401,7 +398,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
enddo; enddo
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then
write(6,'(a)') '<< CPFEM >> aging states'
if (debug_e <= mesh_NcpElems .and. debug_i <= mesh_maxNips) then
if (debug_e <= theMesh%Nelems .and. debug_i <= theMesh%elem%nIPs) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') &
'<< CPFEM >> aged state of elFE ip grain',debug_e, debug_i, 1, &
plasticState(phaseAt(1,debug_i,debug_e))%state(:,phasememberAt(1,debug_i,debug_e))

2
src/CPFEM2.f90
View File

@ -95,8 +95,6 @@ subroutine CPFEM_init
use prec, only: &
pInt, pReal, pLongInt
use IO, only: &
IO_read_realFile,&
IO_read_intFile, &
IO_timeStamp, &
IO_error
use numerics, only: &

34
src/DAMASK_abaqus.f
View File

@ -30,6 +30,11 @@ contains
!> @brief reports and sets working directory
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
#if __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use ifport, only: &
CHDIR
@ -40,16 +45,25 @@ subroutine DAMASK_interface_init
character(len=256) :: wd
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
write(6,'(/,a)') ' <<<+- DAMASK_abaqus -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(a,/)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options()
#else
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
call getoutdir(wd, lenOutDir)
ierr = CHDIR(wd)

41
src/DAMASK_interface.f90
View File

@ -143,16 +143,27 @@ subroutine DAMASK_interface_init()
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
#include "compilation_info.f90"
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(a,/)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options()
#elif defined(__INTEL_COMPILER)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
#endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
call get_command(commandLine)
chunkPos = IIO_stringPos(commandLine)
@ -219,9 +230,11 @@ subroutine DAMASK_interface_init()
call get_environment_variable('USER',userName)
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(/a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg)) > 0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
@ -514,4 +527,4 @@ pure function IIO_stringPos(string)
end function IIO_stringPos
end module
end module

42
src/DAMASK_marc.f90
View File

@ -43,6 +43,11 @@ contains
!> @brief reports and sets working directory
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
#if __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use ifport, only: &
CHDIR
@ -53,17 +58,26 @@ subroutine DAMASK_interface_init
character(len=1024) :: wd
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_Marc -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90"
write(6,'(/,a)') ' <<<+- DAMASK_abaqus -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(a,/)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options()
#else
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
inquire(5, name=wd) ! determine inputputfile
wd = wd(1:scan(wd,'/',back=.true.))
ierr = CHDIR(wd)
@ -134,6 +148,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
debug_info, &
debug_reset
use mesh, only: &
theMesh, &
mesh_FEasCP, &
mesh_element, &
mesh_node0, &
@ -141,8 +156,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
mesh_Ncellnodes, &
mesh_cellnode, &
mesh_build_cellnodes, &
mesh_build_ipCoordinates, &
FE_Nnodes
mesh_build_ipCoordinates
use CPFEM, only: &
CPFEM_general, &
CPFEM_init_done, &
@ -314,7 +328,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! collect and backup Jacobian after convergence
lastIncConverged = .false. ! reset flag
endif
do node = 1,FE_Nnodes(mesh_element(2,cp_en))
do node = 1,theMesh%elem%nNodes
CPnodeID = mesh_element(4_pInt+node,cp_en)
mesh_node(1:ndeg,CPnodeID) = mesh_node0(1:ndeg,CPnodeID) + numerics_unitlength * dispt(1:ndeg,node)
enddo

1
src/FEM_utilities.f90
View File

@ -495,7 +495,6 @@ subroutine utilities_indexActiveSet(field,section,x_local,f_local,localIS,global
CHKERRQ(ierr)
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
endif
deallocate(localIndices)
end subroutine utilities_indexActiveSet

4
src/FEM_zoo.f90
View File

@ -9,11 +9,11 @@ module FEM_Zoo
private
integer(pInt), parameter, public:: &
maxOrder = 5 !< current max interpolation set at cubic (intended to be arbitrary)
real(pReal), dimension(2,3), private, protected :: &
real(pReal), dimension(2,3), private, parameter :: &
triangle = reshape([-1.0_pReal, -1.0_pReal, &
1.0_pReal, -1.0_pReal, &
-1.0_pReal, 1.0_pReal], shape=[2,3])
real(pReal), dimension(3,4), private, protected :: &
real(pReal), dimension(3,4), private, parameter :: &
tetrahedron = reshape([-1.0_pReal, -1.0_pReal, -1.0_pReal, &
1.0_pReal, -1.0_pReal, -1.0_pReal, &
-1.0_pReal, 1.0_pReal, -1.0_pReal, &

888
src/IO.f90
View File

File diff suppressed because it is too large Load Diff

9
src/commercialFEM_fileList.f90
View File

@ -12,7 +12,14 @@
#endif
#include "math.f90"
#include "FEsolving.f90"
#include "mesh.f90"
#include "element.f90"
#include "mesh_base.f90"
#ifdef Abaqus
#include "mesh_abaqus.f90"
#endif
#ifdef Marc4DAMASK
#include "mesh_marc.f90"
#endif
#include "material.f90"
#include "lattice.f90"
#include "source_thermal_dissipation.f90"

14
src/compilation_info.f90
View File

@ -1,14 +0,0 @@
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with ', compiler_version()
write(6,*) 'With options ', compiler_options()
#elif defined(__INTEL_COMPILER)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,&
', build date ', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version ', __PGIC__,&
'.', __PGIC_MINOR__
#endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,*)
flush(6)

15
src/constitutive.f90
View File

@ -56,12 +56,9 @@ subroutine constitutive_init()
IO_checkAndRewind, &
IO_open_jobFile_stat, &
IO_write_jobFile, &
IO_write_jobIntFile, &
IO_timeStamp
use config, only: &
config_phase
use mesh, only: &
FE_geomtype
use config, only: &
material_Nphase, &
material_localFileExt, &
@ -790,8 +787,7 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
math_sym33to6, &
math_mul33x33
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
theMesh
use material, only: &
phasememberAt, &
phase_plasticityInstance, &
@ -842,9 +838,9 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
el !< element
real(pReal), intent(in) :: &
subdt !< timestep
real(pReal), intent(in), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
real(pReal), intent(in), dimension(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
subfracArray !< subfraction of timestep
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
FeArray, & !< elastic deformation gradient
FpArray !< plastic deformation gradient
real(pReal), intent(in), dimension(3,3) :: &
@ -1004,8 +1000,7 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
math_6toSym33, &
math_mul33x33
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
theMesh
use material, only: &
phasememberAt, &
phase_plasticityInstance, &
@ -1061,7 +1056,7 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
constitutive_postResults
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
FeArray !< elastic deformation gradient
real(pReal), intent(in), dimension(6) :: &
S6 !< 2nd Piola Kirchhoff stress (vector notation)

81
src/crystallite.f90
View File

@ -12,8 +12,6 @@ module crystallite
use FEsolving, only: &
FEsolving_execElem, &
FEsolving_execIP
use mesh, only: &
mesh_element
use material, only: &
homogenization_Ngrains
use prec, only: &
@ -155,10 +153,8 @@ subroutine crystallite_init
math_inv33, &
math_mul33x33
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips, &
mesh_maxNipNeighbors
theMesh, &
mesh_element
use IO, only: &
IO_timeStamp, &
IO_stringValue, &
@ -196,8 +192,8 @@ subroutine crystallite_init
#include "compilation_info.f90"
cMax = homogenization_maxNgrains
iMax = mesh_maxNips
eMax = mesh_NcpElems
iMax = theMesh%elem%nIPs
eMax = theMesh%nElems
! ---------------------------------------------------------------------------
! ToDo (when working on homogenization): should be 3x3 tensor called S
@ -333,7 +329,7 @@ subroutine crystallite_init
case(elasmatrix_ID)
mySize = 36_pInt
case(neighboringip_ID,neighboringelement_ID)
mySize = mesh_maxNipNeighbors
mySize = theMesh%elem%nIPneighbors
case default
mySize = 0_pInt
end select
@ -415,7 +411,7 @@ subroutine crystallite_init
write(6,'(a42,1x,i10)') ' # of elements: ', eMax
write(6,'(a42,1x,i10)') 'max # of integration points/element: ', iMax
write(6,'(a42,1x,i10)') 'max # of constituents/integration point: ', cMax
write(6,'(a42,1x,i10)') 'max # of neigbours/integration point: ', mesh_maxNipNeighbors
write(6,'(a42,1x,i10)') 'max # of neigbours/integration point: ', theMesh%elem%nIPneighbors
write(6,'(a42,1x,i10)') ' # of nonlocal constituents: ',count(.not. crystallite_localPlasticity)
flush(6)
endif
@ -430,7 +426,7 @@ end subroutine crystallite_init
!--------------------------------------------------------------------------------------------------
!> @brief calculate stress (P)
!--------------------------------------------------------------------------------------------------
function crystallite_stress()
function crystallite_stress(a)
use prec, only: &
tol_math_check, &
dNeq0
@ -458,10 +454,8 @@ function crystallite_stress()
math_6toSym33, &
math_sym33to6
use mesh, only: &
mesh_NcpElems, &
mesh_element, &
mesh_maxNips, &
FE_geomtype
theMesh, &
mesh_element
use material, only: &
homogenization_Ngrains, &
plasticState, &
@ -474,7 +468,8 @@ function crystallite_stress()
constitutive_LiAndItsTangents
implicit none
logical, dimension(mesh_maxNips,mesh_NcpElems) :: crystallite_stress
logical, dimension(theMesh%elem%nIPs,theMesh%Nelems) :: crystallite_stress
real(pReal), intent(in), optional :: a !ToDo: for some reason this prevents an internal compiler error in GNU. Very strange
real(pReal) :: &
formerSubStep
integer(pInt) :: &
@ -541,7 +536,7 @@ function crystallite_stress()
endIP = startIP
else singleRun
startIP = 1_pInt
endIP = mesh_maxNips
endIP = theMesh%elem%nIPs
endif singleRun
NiterationCrystallite = 0_pInt
@ -727,8 +722,7 @@ subroutine crystallite_stressTangent()
math_invert2, &
math_det33
use mesh, only: &
mesh_element, &
FE_geomtype
mesh_element
use material, only: &
homogenization_Ngrains
use constitutive, only: &
@ -929,7 +923,7 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
math_inv33, &
math_EulerToR
use material, only: &
material_EulerAngles
material_EulerAngles ! ToDo: Why stored? We also have crystallite_orientation0
implicit none
real(pReal), dimension(3,3) :: crystallite_push33ToRef
@ -960,13 +954,10 @@ function crystallite_postResults(ipc, ip, el)
inDeg, &
math_6toSym33
use mesh, only: &
theMesh, &
mesh_element, &
mesh_ipVolume, &
mesh_maxNipNeighbors, &
mesh_ipNeighborhood, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
mesh_ipNeighborhood
use material, only: &
plasticState, &
sourceState, &
@ -1070,14 +1061,14 @@ function crystallite_postResults(ipc, ip, el)
mySize = 36_pInt
crystallite_postResults(c+1:c+mySize) = reshape(constitutive_homogenizedC(ipc,ip,el),[mySize])
case(neighboringelement_ID)
mySize = mesh_maxNipNeighbors
mySize = theMesh%elem%nIPneighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
forall (n = 1_pInt:mySize) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(1,n,ip,el),pReal)
case(neighboringip_ID)
mySize = mesh_maxNipNeighbors
mySize = theMesh%elem%nIPneighbors
crystallite_postResults(c+1:c+mySize) = 0.0_pReal
forall (n = 1_pInt:FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))) &
forall (n = 1_pInt:mySize) &
crystallite_postResults(c+n) = real(mesh_ipNeighborhood(2,n,ip,el),pReal)
end select
c = c + mySize
@ -1754,9 +1745,8 @@ end subroutine integrateStateEuler
!--------------------------------------------------------------------------------------------------
subroutine integrateStateAdaptiveEuler()
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips
theMesh, &
mesh_element
use material, only: &
homogenization_Ngrains, &
plasticState, &
@ -1780,11 +1770,11 @@ subroutine integrateStateAdaptiveEuler()
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of adaptive Euler
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_plastic
real(pReal), dimension(constitutive_source_maxSizeDotState,&
maxval(phase_Nsources), &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_source
!--------------------------------------------------------------------------------------------------
@ -1931,8 +1921,7 @@ end subroutine integrateStateRK4
subroutine integrateStateRKCK45()
use mesh, only: &
mesh_element, &
mesh_NcpElems, &
mesh_maxNips
theMesh
use material, only: &
homogenization_Ngrains, &
plasticState, &
@ -1979,11 +1968,11 @@ subroutine integrateStateRKCK45()
! ToDo: MD: once all constitutives use allocate state, attach residuum arrays to the state in case of RKCK45
real(pReal), dimension(constitutive_plasticity_maxSizeDotState, &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_plastic ! relative residuum from evolution in microstructure
real(pReal), dimension(constitutive_source_maxSizeDotState, &
maxval(phase_Nsources), &
homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems) :: &
residuum_source ! relative residuum from evolution in microstructure
@ -2128,7 +2117,8 @@ end subroutine nonlocalConvergenceCheck
!> @details: For explicitEuler, RK4 and RKCK45, adaptive Euler and FPI have their on criteria
!--------------------------------------------------------------------------------------------------
subroutine setConvergenceFlag()
use mesh, only: &
mesh_element
implicit none
integer(pInt) :: &
e, & !< element index in element loop
@ -2168,7 +2158,8 @@ end subroutine setConvergenceFlag
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
!--------------------------------------------------------------------------------------------------
subroutine update_stress(timeFraction)
use mesh, only: &
mesh_element
implicit none
real(pReal), intent(in) :: &
timeFraction
@ -2200,6 +2191,8 @@ end subroutine update_stress
!> @brief tbd
!--------------------------------------------------------------------------------------------------
subroutine update_dependentState()
use mesh, only: &
mesh_element
use constitutive, only: &
constitutive_dependentState => constitutive_microstructure
@ -2232,6 +2225,8 @@ subroutine update_state(timeFraction)
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
use mesh, only: &
mesh_element
implicit none
real(pReal), intent(in) :: &
@ -2281,6 +2276,8 @@ subroutine update_dotState(timeFraction)
sourceState, &
phaseAt, phasememberAt, &
phase_Nsources
use mesh, only: &
mesh_element
use constitutive, only: &
constitutive_collectDotState
@ -2334,6 +2331,8 @@ subroutine update_deltaState
IEEE_arithmetic
use prec, only: &
dNeq0
use mesh, only: &
mesh_element
use material, only: &
plasticState, &
sourceState, &
@ -2429,6 +2428,8 @@ logical function stateJump(ipc,ip,el)
sourceState, &
phase_Nsources, &
phaseAt, phasememberAt
use mesh, only: &
mesh_element
use constitutive, only: &
constitutive_collectDeltaState
use math, only: &

921
src/element.f90 Normal file
View File

@ -0,0 +1,921 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
!--------------------------------------------------------------------------------------------------
module element
use prec, only: &
pInt, &
pReal
implicit none
private
!---------------------------------------------------------------------------------------------------
!> Properties of a single element (the element used in the mesh)
!---------------------------------------------------------------------------------------------------
type, public :: tElement
integer(pInt) :: &
elemType, &
geomType, & ! geometry type (same for same dimension and same number of integration points)
cellType, &
Nnodes, &
Ncellnodes, &
NcellnodesPerCell, &
nIPs, &
nIPneighbors, & ! ToDo: MD: Do all IPs in one element type have the same number of neighbors?
maxNnodeAtIP
integer(pInt), dimension(:,:), allocatable :: &
Cell, & ! intra-element (cell) nodes that constitute a cell
NnodeAtIP, &
IPneighbor, &
cellFace
real(pReal), dimension(:,:), allocatable :: &
! center of gravity of the weighted nodes gives the position of the cell node.
! example: face-centered cell node with face nodes 1,2,5,6 to be used in,
! e.g., an 8 node element, would be encoded:
! 1, 1, 0, 0, 1, 1, 0, 0
cellNodeParentNodeWeights
contains
procedure :: init => tElement_init
end type
integer(pInt), parameter, private :: &
NELEMTYPE = 13_pInt
integer(pInt), dimension(NelemType), parameter, private :: NNODE = &
int([ &
3, & ! 2D 3node 1ip
6, & ! 2D 6node 3ip
4, & ! 2D 4node 4ip
8, & ! 2D 8node 9ip
8, & ! 2D 8node 4ip
!--------------------
4, & ! 3D 4node 1ip
5, & ! 3D 5node 4ip
10, & ! 3D 10node 4ip
6, & ! 3D 6node 6ip
8, & ! 3D 8node 1ip
8, & ! 3D 8node 8ip
20, & ! 3D 20node 8ip
20 & ! 3D 20node 27ip
],pInt) !< number of nodes that constitute a specific type of element
integer(pInt), dimension(NelemType), parameter, public :: GEOMTYPE = &
int([ &
1, & ! 2D 3node 1ip
2, & ! 2D 6node 3ip
3, & ! 2D 4node 4ip
4, & ! 2D 8node 9ip
3, & ! 2D 8node 4ip
!--------------------
5, & ! 3D 4node 1ip
6, & ! 3D 5node 4ip
6, & ! 3D 10node 4ip
7, & ! 3D 6node 6ip
8, & ! 3D 8node 1ip
9, & ! 3D 8node 8ip
9, & ! 3D 20node 8ip
10 & ! 3D 20node 27ip
],pInt) !< geometry type of particular element type
!integer(pInt), dimension(maxval(geomType)), parameter, private :: NCELLNODE = & ! Intel 16.0 complains
integer(pInt), dimension(10), parameter, private :: NCELLNODE = &
int([ &
3, &
7, &
9, &
16, &
4, &
15, &
21, &
8, &
27, &
64 &
],pInt) !< number of cell nodes in a specific geometry type
!integer(pInt), dimension(maxval(geomType)), parameter, private :: NIP = & ! Intel 16.0 complains
integer(pInt), dimension(10), parameter, private :: NIP = &
int([ &
1, &
3, &
4, &
9, &
1, &
4, &
6, &
1, &
8, &
27 &
],pInt) !< number of IPs in a specific geometry type
!integer(pInt), dimension(maxval(geomType)), parameter, private :: CELLTYPE = & ! Intel 16.0 complains
integer(pInt), dimension(10), parameter, private :: CELLTYPE = & !< cell type that is used by each geometry type
int([ &
1, & ! 2D 3node
2, & ! 2D 4node
2, & ! 2D 4node
2, & ! 2D 4node
3, & ! 3D 4node
4, & ! 3D 8node
4, & ! 3D 8node
4, & ! 3D 8node
4, & ! 3D 8node
4 & ! 3D 8node
],pInt)
!integer(pInt), dimension(maxval(cellType)), parameter, private :: nIPNeighbor = & ! causes problem with Intel 16.0
integer(pInt), dimension(4), parameter, private :: NIPNEIGHBOR = & !< number of ip neighbors / cell faces in a specific cell type
int([&
3, & ! 2D 3node
4, & ! 2D 4node
4, & ! 3D 4node
6 & ! 3D 8node
],pInt)
!integer(pInt), dimension(maxval(cellType)), parameter, private :: NCELLNODESPERCELLFACE = &
integer(pInt), dimension(4), parameter, private :: NCELLNODEPERCELLFACE = & !< number of cell nodes in a specific cell type
int([ &
2, & ! 2D 3node
2, & ! 2D 4node
3, & ! 3D 4node
4 & ! 3D 8node
],pInt)
!integer(pInt), dimension(maxval(geomType)), parameter, private :: maxNodeAtIP = & ! causes problem with Intel 16.0
integer(pInt), dimension(10), parameter, private :: maxNnodeAtIP = & !< maximum number of parent nodes that belong to an IP for a specific type of element
int([ &
3, &
1, &
1, &
2, &
4, &
1, &
1, &
8, &
1, &
4 &
],pInt)
!integer(pInt), dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = & ! Intel 16.0 complains
integer(pInt), dimension(4), parameter, private :: NCELLNODEPERCELL = & !< number of cell nodes in a specific cell type
int([ &
3, & ! 2D 3node
4, & ! 2D 4node
4, & ! 3D 4node
8 & ! 3D 8node
],pInt)
integer(pInt), dimension(maxNnodeAtIP(1),nIP(1)), parameter, private :: NnodeAtIP1 = &
reshape(int([&
1,2,3 &
],pInt),[maxNnodeAtIP(1),nIP(1)])
integer(pInt), dimension(maxNnodeAtIP(2),nIP(2)), parameter, private :: NnodeAtIP2 = &
reshape(int([&
1, &
2, &
3 &
],pInt),[maxNnodeAtIP(2),nIP(2)])
integer(pInt), dimension(maxNnodeAtIP(3),nIP(3)), parameter, private :: NnodeAtIP3 = &
reshape(int([&
1, &
2, &
4, &
3 &
],pInt),[maxNnodeAtIP(3),nIP(3)])
integer(pInt), dimension(maxNnodeAtIP(4),nIP(4)), parameter, private :: NnodeAtIP4 = &
reshape(int([&
1,0, &
1,2, &
2,0, &
1,4, &
0,0, &
2,3, &
4,0, &
3,4, &
3,0 &
],pInt),[maxNnodeAtIP(4),nIP(4)])
integer(pInt), dimension(maxNnodeAtIP(5),nIP(5)), parameter, private :: NnodeAtIP5 = &
reshape(int([&
1,2,3,4 &
],pInt),[maxNnodeAtIP(5),nIP(5)])
integer(pInt), dimension(maxNnodeAtIP(6),nIP(6)), parameter, private :: NnodeAtIP6 = &
reshape(int([&
1, &
2, &
3, &
4 &
],pInt),[maxNnodeAtIP(6),nIP(6)])
integer(pInt), dimension(maxNnodeAtIP(7),nIP(7)), parameter, private :: NnodeAtIP7 = &
reshape(int([&
1, &
2, &
3, &
4, &
5, &
6 &
],pInt),[maxNnodeAtIP(7),nIP(7)])
integer(pInt), dimension(maxNnodeAtIP(8),nIP(8)), parameter, private :: NnodeAtIP8 = &
reshape(int([&
1,2,3,4,5,6,7,8 &
],pInt),[maxNnodeAtIP(8),nIP(8)])
integer(pInt), dimension(maxNnodeAtIP(9),nIP(9)), parameter, private :: NnodeAtIP9 = &
reshape(int([&
1, &
2, &
4, &
3, &
5, &
6, &
8, &
7 &
],pInt),[maxNnodeAtIP(9),nIP(9)])
integer(pInt), dimension(maxNnodeAtIP(10),nIP(10)), parameter, private :: NnodeAtIP10 = &
reshape(int([&
1,0, 0,0, &
1,2, 0,0, &
2,0, 0,0, &
1,4, 0,0, &
1,3, 2,4, &
2,3, 0,0, &
4,0, 0,0, &
3,4, 0,0, &
3,0, 0,0, &
1,5, 0,0, &
1,6, 2,5, &
2,6, 0,0, &
1,8, 4,5, &
0,0, 0,0, &
2,7, 3,6, &
4,8, 0,0, &
3,8, 4,7, &
3,7, 0,0, &
5,0, 0,0, &
5,6, 0,0, &
6,0, 0,0, &
5,8, 0,0, &
5,7, 6,8, &
6,7, 0,0, &
8,0, 0,0, &
7,8, 0,0, &
7,0, 0,0 &
],pInt),[maxNnodeAtIP(10),nIP(10)])
! *** FE_ipNeighbor ***
! is a list of the neighborhood of each IP.
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
! Positive integers denote an intra-FE IP identifier.
! Negative integers denote the interface behind which the neighboring (extra-FE) IP will be located.
integer(pInt), dimension(nIPneighbor(cellType(1)),nIP(1)), parameter, private :: IPneighbor1 = &
reshape(int([&
-2,-3,-1 &
],pInt),[nIPneighbor(cellType(1)),nIP(1)])
integer(pInt), dimension(nIPneighbor(cellType(2)),nIP(2)), parameter, private :: IPneighbor2 = &
reshape(int([&
2,-3, 3,-1, &
-2, 1, 3,-1, &
2,-3,-2, 1 &
],pInt),[nIPneighbor(cellType(2)),nIP(2)])
integer(pInt), dimension(nIPneighbor(cellType(3)),nIP(3)), parameter, private :: IPneighbor3 = &
reshape(int([&
2,-4, 3,-1, &
-2, 1, 4,-1, &
4,-4,-3, 1, &
-2, 3,-3, 2 &
],pInt),[nIPneighbor(cellType(3)),nIP(3)])
integer(pInt), dimension(nIPneighbor(cellType(4)),nIP(4)), parameter, private :: IPneighbor4 = &
reshape(int([&
2,-4, 4,-1, &
3, 1, 5,-1, &
-2, 2, 6,-1, &
5,-4, 7, 1, &
6, 4, 8, 2, &
-2, 5, 9, 3, &
8,-4,-3, 4, &
9, 7,-3, 5, &
-2, 8,-3, 6 &
],pInt),[nIPneighbor(cellType(4)),nIP(4)])
integer(pInt), dimension(nIPneighbor(cellType(5)),nIP(5)), parameter, private :: IPneighbor5 = &
reshape(int([&
-1,-2,-3,-4 &
],pInt),[nIPneighbor(cellType(5)),nIP(5)])
integer(pInt), dimension(nIPneighbor(cellType(6)),nIP(6)), parameter, private :: IPneighbor6 = &
reshape(int([&
2,-4, 3,-2, 4,-1, &
-2, 1, 3,-2, 4,-1, &
2,-4,-3, 1, 4,-1, &
2,-4, 3,-2,-3, 1 &
],pInt),[nIPneighbor(cellType(6)),nIP(6)])
integer(pInt), dimension(nIPneighbor(cellType(7)),nIP(7)), parameter, private :: IPneighbor7 = &
reshape(int([&
2,-4, 3,-2, 4,-1, &
-3, 1, 3,-2, 5,-1, &
2,-4,-3, 1, 6,-1, &
5,-4, 6,-2,-5, 1, &
-3, 4, 6,-2,-5, 2, &
5,-4,-3, 4,-5, 3 &
],pInt),[nIPneighbor(cellType(7)),nIP(7)])
integer(pInt), dimension(nIPneighbor(cellType(8)),nIP(8)), parameter, private :: IPneighbor8 = &
reshape(int([&
-3,-5,-4,-2,-6,-1 &
],pInt),[nIPneighbor(cellType(8)),nIP(8)])
integer(pInt), dimension(nIPneighbor(cellType(9)),nIP(9)), parameter, private :: IPneighbor9 = &
reshape(int([&
2,-5, 3,-2, 5,-1, &
-3, 1, 4,-2, 6,-1, &
4,-5,-4, 1, 7,-1, &
-3, 3,-4, 2, 8,-1, &
6,-5, 7,-2,-6, 1, &
-3, 5, 8,-2,-6, 2, &
8,-5,-4, 5,-6, 3, &
-3, 7,-4, 6,-6, 4 &
],pInt),[nIPneighbor(cellType(9)),nIP(9)])
integer(pInt), dimension(nIPneighbor(cellType(10)),nIP(10)), parameter, private :: IPneighbor10 = &
reshape(int([&
2,-5, 4,-2,10,-1, &
3, 1, 5,-2,11,-1, &
-3, 2, 6,-2,12,-1, &
5,-5, 7, 1,13,-1, &
6, 4, 8, 2,14,-1, &
-3, 5, 9, 3,15,-1, &
8,-5,-4, 4,16,-1, &
9, 7,-4, 5,17,-1, &
-3, 8,-4, 6,18,-1, &
11,-5,13,-2,19, 1, &
12,10,14,-2,20, 2, &
-3,11,15,-2,21, 3, &
14,-5,16,10,22, 4, &
15,13,17,11,23, 5, &
-3,14,18,12,24, 6, &
17,-5,-4,13,25, 7, &
18,16,-4,14,26, 8, &
-3,17,-4,15,27, 9, &
20,-5,22,-2,-6,10, &
21,19,23,-2,-6,11, &
-3,20,24,-2,-6,12, &
23,-5,25,19,-6,13, &
24,22,26,20,-6,14, &
-3,23,27,21,-6,15, &
26,-5,-4,22,-6,16, &
27,25,-4,23,-6,17, &
-3,26,-4,24,-6,18 &
],pInt),[nIPneighbor(cellType(10)),nIP(10)])
real(pReal), dimension(nNode(1),NcellNode(geomType(1))), parameter :: cellNodeParentNodeWeights1 = &
reshape(real([&
1, 0, 0, &
0, 1, 0, &
0, 0, 1 &
],pReal),[nNode(1),NcellNode(geomType(1))]) ! 2D 3node 1ip
real(pReal), dimension(nNode(2),NcellNode(geomType(2))), parameter :: cellNodeParentNodeWeights2 = &
reshape(real([&
1, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, &
0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 1, &
1, 1, 1, 2, 2, 2 &
],pReal),[nNode(2),NcellNode(geomType(2))]) ! 2D 6node 3ip
real(pReal), dimension(nNode(3),NcellNode(geomType(3))), parameter :: cellNodeParentNodeWeights3 = &
reshape(real([&
1, 0, 0, 0, &
0, 1, 0, 0, &
0, 0, 1, 0, &
0, 0, 0, 1, &
1, 1, 0, 0, &
0, 1, 1, 0, &
0, 0, 1, 1, &
1, 0, 0, 1, &
1, 1, 1, 1 &
],pReal),[nNode(3),NcellNode(geomType(3))]) ! 2D 6node 3ip
real(pReal), dimension(nNode(4),NcellNode(geomType(4))), parameter :: cellNodeParentNodeWeights4 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
0, 0, 0, 1, 0, 0, 0, 0, &
1, 0, 0, 0, 2, 0, 0, 0, &
0, 1, 0, 0, 2, 0, 0, 0, &
0, 1, 0, 0, 0, 2, 0, 0, &
0, 0, 1, 0, 0, 2, 0, 0, &
0, 0, 1, 0, 0, 0, 2, 0, &
0, 0, 0, 1, 0, 0, 2, 0, &
0, 0, 0, 1, 0, 0, 0, 2, &
1, 0, 0, 0, 0, 0, 0, 2, &
4, 1, 1, 1, 8, 2, 2, 8, &
1, 4, 1, 1, 8, 8, 2, 2, &
1, 1, 4, 1, 2, 8, 8, 2, &
1, 1, 1, 4, 2, 2, 8, 8 &
],pReal),[nNode(4),NcellNode(geomType(4))]) ! 2D 8node 9ip
real(pReal), dimension(nNode(5),NcellNode(geomType(5))), parameter :: cellNodeParentNodeWeights5 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
0, 0, 0, 1, 0, 0, 0, 0, &
0, 0, 0, 0, 1, 0, 0, 0, &
0, 0, 0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 0, 0, 1, &
1, 1, 1, 1, 2, 2, 2, 2 &
],pReal),[nNode(5),NcellNode(geomType(5))]) ! 2D 8node 4ip
real(pReal), dimension(nNode(6),NcellNode(geomType(6))), parameter :: cellNodeParentNodeWeights6 = &
reshape(real([&
1, 0, 0, 0, &
0, 1, 0, 0, &
0, 0, 1, 0, &
0, 0, 0, 1 &
],pReal),[nNode(6),NcellNode(geomType(6))]) ! 3D 4node 1ip
real(pReal), dimension(nNode(7),NcellNode(geomType(7))), parameter :: cellNodeParentNodeWeights7 = &
reshape(real([&
1, 0, 0, 0, 0, &
0, 1, 0, 0, 0, &
0, 0, 1, 0, 0, &
0, 0, 0, 1, 0, &
1, 1, 0, 0, 0, &
0, 1, 1, 0, 0, &
1, 0, 1, 0, 0, &
1, 0, 0, 1, 0, &
0, 1, 0, 1, 0, &
0, 0, 1, 1, 0, &
1, 1, 1, 0, 0, &
1, 1, 0, 1, 0, &
0, 1, 1, 1, 0, &
1, 0, 1, 1, 0, &
0, 0, 0, 0, 1 &
],pReal),[nNode(7),NcellNode(geomType(7))]) ! 3D 5node 4ip
real(pReal), dimension(nNode(8),NcellNode(geomType(8))), parameter :: cellNodeParentNodeWeights8 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, &
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, &
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, &
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, &
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 0, 0, 0, 0, 1, &
1, 1, 1, 0, 2, 2, 2, 0, 0, 0, &
1, 1, 0, 1, 2, 0, 0, 2, 2, 0, &
0, 1, 1, 1, 0, 2, 0, 0, 2, 2, &
1, 0, 1, 1, 0, 0, 2, 2, 0, 2, &
3, 3, 3, 3, 4, 4, 4, 4, 4, 4 &
],pReal),[nNode(8),NcellNode(geomType(8))]) ! 3D 10node 4ip
real(pReal), dimension(nNode(9),NcellNode(geomType(9))), parameter :: cellNodeParentNodeWeights9 = &
reshape(real([&
1, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, &
0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 1, &
1, 1, 0, 0, 0, 0, &
0, 1, 1, 0, 0, 0, &
1, 0, 1, 0, 0, 0, &
1, 0, 0, 1, 0, 0, &
0, 1, 0, 0, 1, 0, &
0, 0, 1, 0, 0, 1, &
0, 0, 0, 1, 1, 0, &
0, 0, 0, 0, 1, 1, &
0, 0, 0, 1, 0, 1, &
1, 1, 1, 0, 0, 0, &
1, 1, 0, 1, 1, 0, &
0, 1, 1, 0, 1, 1, &
1, 0, 1, 1, 0, 1, &
0, 0, 0, 1, 1, 1, &
1, 1, 1, 1, 1, 1 &
],pReal),[nNode(9),NcellNode(geomType(9))]) ! 3D 6node 6ip
real(pReal), dimension(nNode(10),NcellNode(geomType(10))), parameter :: cellNodeParentNodeWeights10 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
0, 0, 0, 1, 0, 0, 0, 0, &
0, 0, 0, 0, 1, 0, 0, 0, &
0, 0, 0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 0, 0, 1 &
],pReal),[nNode(10),NcellNode(geomType(10))]) ! 3D 8node 1ip
real(pReal), dimension(nNode(11),NcellNode(geomType(11))), parameter :: cellNodeParentNodeWeights11 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 0, 0, 0, & ! 5
0, 0, 0, 0, 0, 1, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, & !
0, 0, 0, 0, 0, 0, 0, 1, & !
1, 1, 0, 0, 0, 0, 0, 0, & !
0, 1, 1, 0, 0, 0, 0, 0, & ! 10
0, 0, 1, 1, 0, 0, 0, 0, & !
1, 0, 0, 1, 0, 0, 0, 0, & !
1, 0, 0, 0, 1, 0, 0, 0, & !
0, 1, 0, 0, 0, 1, 0, 0, & !
0, 0, 1, 0, 0, 0, 1, 0, & ! 15
0, 0, 0, 1, 0, 0, 0, 1, & !
0, 0, 0, 0, 1, 1, 0, 0, & !
0, 0, 0, 0, 0, 1, 1, 0, & !
0, 0, 0, 0, 0, 0, 1, 1, & !
0, 0, 0, 0, 1, 0, 0, 1, & ! 20
1, 1, 1, 1, 0, 0, 0, 0, & !
1, 1, 0, 0, 1, 1, 0, 0, & !
0, 1, 1, 0, 0, 1, 1, 0, & !
0, 0, 1, 1, 0, 0, 1, 1, & !
1, 0, 0, 1, 1, 0, 0, 1, & ! 25
0, 0, 0, 0, 1, 1, 1, 1, & !
1, 1, 1, 1, 1, 1, 1, 1 & !
],pReal),[nNode(11),NcellNode(geomType(11))]) ! 3D 8node 8ip
real(pReal), dimension(nNode(12),NcellNode(geomType(12))), parameter :: cellNodeParentNodeWeights12 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 10
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, & ! 15
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, & ! 20
1, 1, 1, 1, 0, 0, 0, 0, 2, 2, 2, 2, 0, 0, 0, 0, 0, 0, 0, 0, & !
1, 1, 0, 0, 1, 1, 0, 0, 2, 0, 0, 0, 2, 0, 0, 0, 2, 2, 0, 0, & !
0, 1, 1, 0, 0, 1, 1, 0, 0, 2, 0, 0, 0, 2, 0, 0, 0, 2, 2, 0, & !
0, 0, 1, 1, 0, 0, 1, 1, 0, 0, 2, 0, 0, 0, 2, 0, 0, 0, 2, 2, & !
1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 2, 0, 0, 0, 2, 2, 0, 0, 2, & ! 25
0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 2, 2, 2, 2, 0, 0, 0, 0, & !
3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 & !
],pReal),[nNode(12),NcellNode(geomType(12))]) ! 3D 20node 8ip
real(pReal), dimension(nNode(13),NcellNode(geomType(13))), parameter :: cellNodeParentNodeWeights13 = &
reshape(real([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 5
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & ! 10
0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, & ! 15
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, & !
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, & !
0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, & ! 20
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, & !
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, & !
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, & !
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, & ! 25
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & !
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, & ! 30
0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, & !
4, 1, 1, 1, 0, 0, 0, 0, 8, 2, 2, 8, 0, 0, 0, 0, 0, 0, 0, 0, & !
1, 4, 1, 1, 0, 0, 0, 0, 8, 8, 2, 2, 0, 0, 0, 0, 0, 0, 0, 0, & !
1, 1, 4, 1, 0, 0, 0, 0, 2, 8, 8, 2, 0, 0, 0, 0, 0, 0, 0, 0, & ! 35
1, 1, 1, 4, 0, 0, 0, 0, 2, 2, 8, 8, 0, 0, 0, 0, 0, 0, 0, 0, & !
4, 1, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 8, 2, 0, 0, & !
1, 4, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 2, 8, 0, 0, & !
0, 4, 1, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 8, 2, 0, & !
0, 1, 4, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 2, 8, 0, & ! 40
0, 0, 4, 1, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 8, 2, & !
0, 0, 1, 4, 0, 0, 1, 1, 0, 0, 8, 0, 0, 0, 2, 0, 0, 0, 2, 8, & !
1, 0, 0, 4, 1, 0, 0, 1, 0, 0, 0, 8, 0, 0, 0, 2, 2, 0, 0, 8, & !
4, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 8, 0, 0, 0, 2, 8, 0, 0, 2, & !
1, 1, 0, 0, 4, 1, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 8, 2, 0, 0, & ! 45
1, 1, 0, 0, 1, 4, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 2, 8, 0, 0, & !
0, 1, 1, 0, 0, 4, 1, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 8, 2, 0, & !
0, 1, 1, 0, 0, 1, 4, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 2, 8, 0, & !
0, 0, 1, 1, 0, 0, 4, 1, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 8, 2, & !
0, 0, 1, 1, 0, 0, 1, 4, 0, 0, 2, 0, 0, 0, 8, 0, 0, 0, 2, 8, & ! 50
1, 0, 0, 1, 1, 0, 0, 4, 0, 0, 0, 2, 0, 0, 0, 8, 2, 0, 0, 8, & !
1, 0, 0, 1, 4, 0, 0, 1, 0, 0, 0, 2, 0, 0, 0, 8, 8, 0, 0, 2, & !
0, 0, 0, 0, 4, 1, 1, 1, 0, 0, 0, 0, 8, 2, 2, 8, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 4, 1, 1, 0, 0, 0, 0, 8, 8, 2, 2, 0, 0, 0, 0, & !
0, 0, 0, 0, 1, 1, 4, 1, 0, 0, 0, 0, 2, 8, 8, 2, 0, 0, 0, 0, & ! 55
0, 0, 0, 0, 1, 1, 1, 4, 0, 0, 0, 0, 2, 2, 8, 8, 0, 0, 0, 0, & !
24, 8, 4, 8, 8, 4, 3, 4, 32,12,12,32, 12, 4, 4,12, 32,12, 4,12, & !
8,24, 8, 4, 4, 8, 4, 3, 32,32,12,12, 12,12, 4, 4, 12,32,12, 4, & !
4, 8,24, 8, 3, 4, 8, 4, 12,32,32,12, 4,12,12, 4, 4,12,32,12, & !
8, 4, 8,24, 4, 3, 4, 8, 12,12,32,32, 4, 4,12,12, 12, 4,12,32, & ! 60
8, 4, 3, 4, 24, 8, 4, 8, 12, 4, 4,12, 32,12,12,32, 32,12, 4,12, & !
4, 8, 4, 3, 8,24, 8, 4, 12,12, 4, 4, 32,32,12,12, 12,32,12, 4, & !
3, 4, 8, 4, 4, 8,24, 8, 4,12,12, 4, 12,32,32,12, 4,12,32,12, & !
4, 3, 4, 8, 8, 4, 8,24, 4, 4,12,12, 12,12,32,32, 12, 4,12,32 & !
],pReal),[nNode(13),NcellNode(geomType(13))]) ! 3D 20node 27ip
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = &
reshape(int([&
1,2,3 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)), parameter :: CELL2 = &
reshape(int([&
1, 4, 7, 6, &
2, 5, 7, 4, &
3, 6, 7, 5 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)), parameter :: CELL3 = &
reshape(int([&
1, 5, 9, 8, &
5, 2, 6, 9, &
8, 9, 7, 4, &
9, 6, 3, 7 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)), parameter :: CELL4 = &
reshape(int([&
1, 5,13,12, &
5, 6,14,13, &
6, 2, 7,14, &
12,13,16,11, &
13,14,15,16, &
14, 7, 8,15, &
11,16,10, 4, &
16,15, 9,10, &
15, 8, 3, 9 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)), parameter :: CELL5 = &
reshape(int([&
1, 2, 3, 4 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)), parameter :: CELL6 = &
reshape(int([&
1, 5,11, 7, 8,12,15,14, &
5, 2, 6,11,12, 9,13,15, &
7,11, 6, 3,14,15,13,10, &
8,12,15, 4, 4, 9,13,10 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)), parameter :: CELL7 = &
reshape(int([&
1, 7,16, 9,10,17,21,19, &
7, 2, 8,16,17,11,18,21, &
9,16, 8, 3,19,21,18,12, &
10,17,21,19, 4,13,20,15, &
17,11,18,21,13, 5,14,20, &
19,21,18,12,15,20,14, 6 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)), parameter :: CELL8 = &
reshape(int([&
1, 2, 3, 4, 5, 6, 7, 8 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)), parameter :: CELL9 = &
reshape(int([&
1, 9,21,12,13,22,27,25, &
9, 2,10,21,22,14,23,27, &
12,21,11, 4,25,27,24,16, &
21,10, 3,11,27,23,15,24, &
13,22,27,25, 5,17,26,20, &
22,14,23,27,17, 6,18,26, &
25,27,24,16,20,26,19, 8, &
27,23,15,24,26,18, 7,19 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)])
integer(pInt), dimension(NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)), parameter :: CELL10 = &
reshape(int([&
1, 9,33,16,17,37,57,44, &
9,10,34,33,37,38,58,57, &
10, 2,11,34,38,18,39,58, &
16,33,36,15,44,57,60,43, &
33,34,35,36,57,58,59,60, &
34,11,12,35,58,39,40,59, &
15,36,14, 4,43,60,42,20, &
36,35,13,14,60,59,41,42, &
35,12, 3,13,59,40,19,41, &
17,37,57,44,21,45,61,52, &
37,38,58,57,45,46,62,61, &
38,18,39,58,46,22,47,62, &
44,57,60,43,52,61,64,51, &
57,58,59,60,61,62,63,64, &
58,39,40,59,62,47,48,63, &
43,60,42,20,51,64,50,24, &
60,59,41,42,64,63,49,50, &
59,40,19,41,63,48,23,49, &
21,45,61,52, 5,25,53,32, &
45,46,62,61,25,26,54,53, &
46,22,47,62,26, 6,27,54, &
52,61,64,51,32,53,56,31, &
61,62,63,64,53,54,55,56, &
62,47,48,63,54,27,28,55, &
51,64,50,24,31,56,30, 8, &
64,63,49,50,56,55,29,30, &
63,48,23,49,55,28, 7,29 &
],pInt),[NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)])
integer(pInt), dimension(NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)), parameter :: CELLFACE1 = &
reshape(int([&
2,3, &
3,1, &
1,2 &
],pInt),[NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)]) ! 2D 3node, VTK_TRIANGLE (5)
integer(pInt), dimension(NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)), parameter :: CELLFACE2 = &
reshape(int([&
2,3, &
4,1, &
3,4, &
1,2 &
],pInt),[NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)]) ! 2D 4node, VTK_QUAD (9)
integer(pInt), dimension(NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)), parameter :: CELLFACE3 = &
reshape(int([&
1,3,2, &
1,2,4, &
2,3,4, &
1,4,3 &
],pInt),[NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)]) ! 3D 4node, VTK_TETRA (10)
integer(pInt), dimension(NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)), parameter :: CELLFACE4 = &
reshape(int([&
2,3,7,6, &
4,1,5,8, &
3,4,8,7, &
1,2,6,5, &
5,6,7,8, &
1,4,3,2 &
],pInt),[NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)]) ! 3D 8node, VTK_HEXAHEDRON (12)
contains
subroutine tElement_init(self,elemType)
implicit none
class(tElement) :: self
integer(pInt), intent(in) :: elemType
self%elemType = elemType
self%Nnodes = Nnode (self%elemType)
self%geomType = geomType (self%elemType)
select case (self%elemType)
case(1_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights1
case(2_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights2
case(3_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights3
case(4_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights4
case(5_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights5
case(6_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights6
case(7_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights7
case(8_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights8
case(9_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights9
case(10_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights10
case(11_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights11
case(12_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights12
case(13_pInt)
self%cellNodeParentNodeWeights = cellNodeParentNodeWeights13
case default
print*, 'Mist'
end select
self%NcellNodes = NcellNode (self%geomType)
self%maxNnodeAtIP = maxNnodeAtIP (self%geomType)
self%nIPs = nIP (self%geomType)
self%cellType = cellType (self%geomType)
select case (self%geomType)
case(1_pInt)
self%NnodeAtIP = NnodeAtIP1
self%IPneighbor = IPneighbor1
self%cell = CELL1
case(2_pInt)
self%NnodeAtIP = NnodeAtIP2
self%IPneighbor = IPneighbor2
self%cell = CELL2
case(3_pInt)
self%NnodeAtIP = NnodeAtIP3
self%IPneighbor = IPneighbor3
self%cell = CELL3
case(4_pInt)
self%NnodeAtIP = NnodeAtIP4
self%IPneighbor = IPneighbor4
self%cell = CELL4
case(5_pInt)
self%NnodeAtIP = NnodeAtIP5
self%IPneighbor = IPneighbor5
self%cell = CELL5
case(6_pInt)
self%NnodeAtIP = NnodeAtIP6
self%IPneighbor = IPneighbor6
self%cell = CELL6
case(7_pInt)
self%NnodeAtIP = NnodeAtIP7
self%IPneighbor = IPneighbor7
self%cell = CELL7
case(8_pInt)
self%NnodeAtIP = NnodeAtIP8
self%IPneighbor = IPneighbor8
self%cell = CELL8
case(9_pInt)
self%NnodeAtIP = NnodeAtIP9
self%IPneighbor = IPneighbor9
self%cell = CELL9
case(10_pInt)
self%NnodeAtIP = NnodeAtIP10
self%IPneighbor = IPneighbor10
self%cell = CELL10
end select
self%NcellNodesPerCell = NCELLNODEPERCELL(self%cellType)
select case(self%cellType)
case(1_pInt)
self%cellFace = CELLFACE1
case(2_pInt)
self%cellFace = CELLFACE2
case(3_pInt)
self%cellFace = CELLFACE3
case(4_pInt)
self%cellFace = CELLFACE4
end select
self%nIPneighbors = size(self%IPneighbor,1)
write(6,'(/,a)') ' <<<+- element_init -+>>>'
write(6,*)' element type ',self%elemType
write(6,*)' geom type ',self%geomType
write(6,*)' cell type ',self%cellType
write(6,*)' # node ',self%Nnodes
write(6,*)' # IP ',self%nIPs
write(6,*)' # cellnode ',self%Ncellnodes
write(6,*)' # cellnode/cell ',self%NcellnodesPerCell
write(6,*)' # IP neighbor ',self%nIPneighbors
write(6,*)' max # node at IP ',self%maxNnodeAtIP
end subroutine tElement_init
end module element

41
src/homogenization.f90
View File

@ -71,11 +71,8 @@ subroutine homogenization_init
debug_e, &
debug_g
use mesh, only: &
mesh_maxNips, &
mesh_NcpElems, &
mesh_element, &
FE_Nips, &
FE_geomtype
theMesh, &
mesh_element
use constitutive, only: &
constitutive_plasticity_maxSizePostResults, &
constitutive_source_maxSizePostResults
@ -244,20 +241,20 @@ subroutine homogenization_init
!--------------------------------------------------------------------------------------------------
! allocate and initialize global variables
allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_F0(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
materialpoint_F0 = spread(spread(math_I3,3,mesh_maxNips),4,mesh_NcpElems) ! initialize to identity
allocate(materialpoint_F(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_dPdF(3,3,3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_F0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
materialpoint_F0 = spread(spread(math_I3,3,theMesh%elem%nIPs),4,theMesh%nElems) ! initialize to identity
allocate(materialpoint_F(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
materialpoint_F = materialpoint_F0 ! initialize to identity
allocate(materialpoint_subF0(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_subF(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_P(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_subFrac(mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_subStep(mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_subdt(mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(materialpoint_requested(mesh_maxNips,mesh_NcpElems), source=.false.)
allocate(materialpoint_converged(mesh_maxNips,mesh_NcpElems), source=.true.)
allocate(materialpoint_doneAndHappy(2,mesh_maxNips,mesh_NcpElems), source=.true.)
allocate(materialpoint_subF0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subF(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_P(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subFrac(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subStep(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_subdt(theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
allocate(materialpoint_requested(theMesh%elem%nIPs,theMesh%nElems), source=.false.)
allocate(materialpoint_converged(theMesh%elem%nIPs,theMesh%nElems), source=.true.)
allocate(materialpoint_doneAndHappy(2,theMesh%elem%nIPs,theMesh%nElems), source=.true.)
!--------------------------------------------------------------------------------------------------
! allocate and initialize global state and postresutls variables
@ -277,7 +274,7 @@ subroutine homogenization_init
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
+ constitutive_source_maxSizePostResults)
allocate(materialpoint_results(materialpoint_sizeResults,mesh_maxNips,mesh_NcpElems))
allocate(materialpoint_results(materialpoint_sizeResults,theMesh%elem%nIPs,theMesh%nElems))
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
@ -346,7 +343,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_Lp, &
crystallite_Li0, &
crystallite_Li, &
crystallite_dPdF, &
crystallite_Tstar0_v, &
crystallite_Tstar_v, &
crystallite_partionedF0, &
@ -600,7 +596,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
IpLooping2: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if ( materialpoint_requested(i,e) .and. & ! process requested but...
.not. materialpoint_doneAndHappy(1,i,e)) then ! ...not yet done material points
call partitionDeformation(i,e) ! partition deformation onto constituents
call partitionDeformation(i,e) ! partition deformation onto constituents
crystallite_dt(1:myNgrains,i,e) = materialpoint_subdt(i,e) ! propagate materialpoint dt to grains
crystallite_requested(1:myNgrains,i,e) = .true. ! request calculation for constituents
else
@ -614,7 +610,8 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
! crystallite integration
! based on crystallite_partionedF0,.._partionedF
! incrementing by crystallite_dt
materialpoint_converged = crystallite_stress() !ToDo: MD not sure if that is the best logic
materialpoint_converged = crystallite_stress() !ToDo: MD not sure if that is the best logic
!--------------------------------------------------------------------------------------------------
! state update

8
src/kinematics_thermal_expansion.f90
View File

@ -24,10 +24,10 @@ module kinematics_thermal_expansion
integer(pInt), dimension(:), allocatable, target, public :: &
kinematics_thermal_expansion_Noutput !< number of outputs per instance of this damage
! enum, bind(c) ! ToDo kinematics need state machinery to deal with sizePostResult
! enumerator :: undefined_ID, & ! possible remedy is to decouple having state vars from having output
! thermalexpansionrate_ID ! which means to separate user-defined types tState + tOutput...
! end enum
enum, bind(c) ! ToDo kinematics need state machinery to deal with sizePostResult
enumerator :: undefined_ID, & ! possible remedy is to decouple having state vars from having output
thermalexpansionrate_ID ! which means to separate user-defined types tState + tOutput...
end enum
public :: &
kinematics_thermal_expansion_init, &
kinematics_thermal_expansion_initialStrain, &

60
src/material.f90
View File

@ -305,9 +305,7 @@ subroutine material_init()
texture_name
use mesh, only: &
mesh_homogenizationAt, &
mesh_NipsPerElem, &
mesh_NcpElems, &
FE_geomtype
theMesh
implicit none
integer(pInt), parameter :: FILEUNIT = 210_pInt
@ -399,10 +397,10 @@ subroutine material_init()
call material_populateGrains
! BEGIN DEPRECATED
allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt)
allocate(phaseAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenization (2, theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenizationConst( theMesh%elem%nIPs,theMesh%Nelems),source=1_pInt)
! END DEPRECATED
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
@ -410,9 +408,9 @@ subroutine material_init()
allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt)
! BEGIN DEPRECATED
do e = 1_pInt,mesh_NcpElems
do e = 1_pInt,theMesh%Nelems
myHomog = mesh_homogenizationAt(e)
do i = 1_pInt, mesh_NipsPerElem
do i = 1_pInt, theMesh%elem%nIPs
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog]
do g = 1_pInt,homogenization_Ngrains(myHomog)
@ -553,7 +551,7 @@ subroutine material_parseMicrostructure
microstructure_name
use mesh, only: &
mesh_microstructureAt, &
mesh_NcpElems
theMesh
implicit none
character(len=65536), dimension(:), allocatable :: &
@ -571,7 +569,7 @@ subroutine material_parseMicrostructure
if(any(mesh_microstructureAt > size(config_microstructure))) &
call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config')
forall (e = 1_pInt:mesh_NcpElems) &
forall (e = 1_pInt:theMesh%Nelems) &
microstructure_active(mesh_microstructureAt(e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
do m=1_pInt, size(config_microstructure)
@ -984,13 +982,10 @@ subroutine material_populateGrains
math_sampleFiberOri, &
math_symmetricEulers
use mesh, only: &
mesh_NipsPerElem, &
mesh_elemType, &
mesh_homogenizationAt, &
mesh_microstructureAt, &
mesh_NcpElems, &
mesh_ipVolume, &
FE_geomtype
theMesh, &
mesh_ipVolume
use config, only: &
config_homogenization, &
config_microstructure, &
@ -1026,24 +1021,24 @@ subroutine material_populateGrains
myDebug = debug_level(debug_material)
allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal)
allocate(material_volume(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_homog(theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
! populating homogenization schemes in each
!--------------------------------------------------------------------------------------------------
do e = 1_pInt, mesh_NcpElems
material_homog(1_pInt:mesh_NipsPerElem,e) = mesh_homogenizationAt(e)
do e = 1_pInt, theMesh%Nelems
material_homog(1_pInt:theMesh%elem%nIPs,e) = mesh_homogenizationAt(e)
enddo
!--------------------------------------------------------------------------------------------------
! precounting of elements for each homog/micro pair
do e = 1_pInt, mesh_NcpElems
do e = 1_pInt, theMesh%Nelems
homog = mesh_homogenizationAt(e)
micro = mesh_microstructureAt(e)
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
@ -1061,8 +1056,7 @@ subroutine material_populateGrains
!--------------------------------------------------------------------------------------------------
! identify maximum grain count per IP (from element) and find grains per homog/micro pair
Nelems = 0_pInt ! reuse as counter
elementLooping: do e = 1_pInt,mesh_NcpElems
t = mesh_elemType
elementLooping: do e = 1_pInt,theMesh%Nelems
homog = mesh_homogenizationAt(e)
micro = mesh_microstructureAt(e)
if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
@ -1072,7 +1066,7 @@ subroutine material_populateGrains
if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
else
dGrains = homogenization_Ngrains(homog) * mesh_NipsPerElem ! each IP has Ngrains
dGrains = homogenization_Ngrains(homog) * theMesh%elem%nIPs ! each IP has Ngrains
endif
Ngrains(homog,micro) = Ngrains(homog,micro) + dGrains ! total grain count
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt ! total element count
@ -1106,16 +1100,15 @@ subroutine material_populateGrains
do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
t = mesh_elemType
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:mesh_NipsPerElem,e))/&
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:theMesh%elem%nIPs,e))/&
real(dGrains,pReal) ! each grain combines size of all IPs in that element
grain = grain + dGrains ! wind forward by Ngrains@IP
else
forall (i = 1_pInt:mesh_NipsPerElem) & ! loop over IPs
forall (i = 1_pInt:theMesh%elem%nIPs) & ! loop over IPs
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP
grain = grain + mesh_NipsPerElem * dGrains ! wind forward by Nips*Ngrains@IP
grain = grain + theMesh%elem%nIPs * dGrains ! wind forward by Nips*Ngrains@IP
endif
enddo
@ -1261,11 +1254,10 @@ subroutine material_populateGrains
do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(homog,micro)%p(hme) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
t = mesh_elemType
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
m = 1_pInt ! process only first IP
else
m = mesh_NipsPerElem
m = theMesh%elem%nIPs
endif
do i = 1_pInt, m ! loop over necessary IPs
@ -1303,7 +1295,7 @@ subroutine material_populateGrains
enddo
do i = i, mesh_NipsPerElem ! loop over IPs to (possibly) distribute copies from first IP
do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)

40
src/meshFEM.f90 → src/mesh_FEM.f90
View File

@ -12,7 +12,7 @@ module mesh
#include <petsc/finclude/petscis.h>
#include <petsc/finclude/petscdmda.h>
use prec, only: pReal, pInt
use mesh_base
use PETScdmplex
use PETScdmda
use PETScis
@ -27,7 +27,6 @@ use PETScis
mesh_NcpElems, & !< total number of CP elements in mesh
mesh_NcpElemsGlobal, &
mesh_Nnodes, & !< total number of nodes in mesh
mesh_NipsPerElem, & !< number of IPs in per element
mesh_maxNipNeighbors
!!!! BEGIN DEPRECATED !!!!!
integer(pInt), public, protected :: &
@ -79,7 +78,17 @@ use PETScis
integer(pInt), dimension(1_pInt), parameter, public :: FE_NipNeighbors = & !< number of ip neighbors / cell faces in a specific cell type
int([6],pInt)
type, public, extends(tMesh) :: tMesh_FEM
contains
procedure, pass(self) :: tMesh_FEM_init
generic, public :: init => tMesh_FEM_init
end type tMesh_FEM
type(tMesh_FEM), public, protected :: theMesh
public :: &
mesh_init, &
@ -89,6 +98,25 @@ use PETScis
contains
subroutine tMesh_FEM_init(self,dimen,order,nodes)
implicit none
integer, intent(in) :: dimen
integer(pInt), intent(in) :: order
real(pReal), intent(in), dimension(:,:) :: nodes
class(tMesh_FEM) :: self
if (dimen == 2_pInt) then
if (order == 1_pInt) call self%tMesh%init('mesh',1_pInt,nodes)
if (order == 2_pInt) call self%tMesh%init('mesh',2_pInt,nodes)
elseif(dimen == 3_pInt) then
if (order == 1_pInt) call self%tMesh%init('mesh',6_pInt,nodes)
if (order == 2_pInt) call self%tMesh%init('mesh',8_pInt,nodes)
endif
end subroutine tMesh_FEM_init
!--------------------------------------------------------------------------------------------------
!> @brief initializes the mesh by calling all necessary private routines the mesh module
@ -213,6 +241,8 @@ subroutine mesh_init()
FE_Nips(FE_geomtype(1_pInt)) = FEM_Zoo_nQuadrature(dimPlex,integrationOrder)
mesh_maxNips = FE_Nips(1_pInt)
write(6,*) 'mesh_maxNips',mesh_maxNips
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_Zoo_QuadraturePoints(dimPlex,integrationOrder)%p)
call mesh_FEM_build_ipVolumes(dimPlex)
@ -238,12 +268,14 @@ subroutine mesh_init()
!!!! COMPATIBILITY HACK !!!!
! for a homogeneous mesh, all elements have the same number of IPs and and cell nodes.
! hence, xxPerElem instead of maxXX
mesh_NipsPerElem = mesh_maxNips
! better name
mesh_homogenizationAt = mesh_element(3,:)
mesh_microstructureAt = mesh_element(4,:)
!!!!!!!!!!!!!!!!!!!!!!!!
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
call theMesh%init(dimplex,integrationOrder,mesh_node0)
call theMesh%setNelems(mesh_NcpElems)
end subroutine mesh_init

3257
src/mesh.f90 → src/mesh_abaqus.f90
View File

File diff suppressed because it is too large Load Diff

85
src/mesh_base.f90 Normal file
View File

@ -0,0 +1,85 @@
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Sets up the mesh for the solvers MSC.Marc,FEM, Abaqus and the spectral solver
!--------------------------------------------------------------------------------------------------
module mesh_base
use, intrinsic :: iso_c_binding
use prec, only: &
pStringLen, &
pReal, &
pInt
use element, only: &
tElement
implicit none
!---------------------------------------------------------------------------------------------------
!> Properties of a the whole mesh (consisting of one type of elements)
!---------------------------------------------------------------------------------------------------
type, public :: tMesh
type(tElement) :: &
elem
real(pReal), dimension(:,:), allocatable, public :: &
ipVolume, & !< volume associated with each IP (initially!)
node0, & !< node x,y,z coordinates (initially)
node !< node x,y,z coordinates (deformed)
integer(pInt), dimension(:,:), allocatable, public :: &
cellnodeParent !< cellnode's parent element ID, cellnode's intra-element ID
character(pStringLen) :: type = "n/a"
integer(pInt) :: &
Nnodes, & !< total number of nodes in mesh
Nelems = -1_pInt, &
elemType, &
Ncells, &
nIPneighbors, &
NcellNodes, &
maxElemsPerNode
integer(pInt), dimension(:), allocatable, public :: &
homogenizationAt, &
microstructureAt
integer(pInt), dimension(:,:), allocatable, public :: &
connectivity
contains
procedure, pass(self) :: tMesh_base_init
procedure :: setNelems => tMesh_base_setNelems ! not needed once we compute the cells from the connectivity
generic, public :: init => tMesh_base_init
end type tMesh
contains
subroutine tMesh_base_init(self,meshType,elemType,nodes)
implicit none
class(tMesh) :: self
character(len=*), intent(in) :: meshType
integer(pInt), intent(in) :: elemType
real(pReal), dimension(:,:), intent(in) :: nodes
write(6,'(/,a)') ' <<<+- mesh_base_init -+>>>'
write(6,*)' mesh type ',meshType
write(6,*)' # node ',size(nodes,2)
self%type = meshType
call self%elem%init(elemType)
self%node0 = nodes
self%nNodes = size(nodes,2)
end subroutine tMesh_base_init
subroutine tMesh_base_setNelems(self,Nelems)
implicit none
class(tMesh) :: self
integer(pInt), intent(in) :: Nelems
self%Nelems = Nelems
end subroutine tMesh_base_setNelems
end module mesh_base

1031
src/mesh_grid.f90 Normal file
View File

File diff suppressed because it is too large Load Diff

1851
src/mesh_marc.f90 Normal file
View File

File diff suppressed because it is too large Load Diff

7
src/numerics.f90
View File

@ -177,13 +177,8 @@ subroutine numerics_init
#include <petsc/finclude/petscsys.h>
use petscsys
#endif
#if !defined(Marc4DAMASK)
!$ use OMP_LIB, only: omp_set_num_threads ! Standard conforming module
!$ use OMP_LIB, only: omp_set_num_threads
implicit none
#else
implicit none
!$ include "omp_lib.h" ! MSC.Marc includes this file on !its own, avoid conflict with the OMP_LIB module
#endif
integer(pInt), parameter :: FILEUNIT = 300_pInt
!$ integer :: gotDAMASK_NUM_THREADS = 1
integer :: i, ierr ! no pInt

90
src/plastic_nonlocal.f90
View File

@ -309,9 +309,7 @@ use IO, only: IO_read, &
use debug, only: debug_level, &
debug_constitutive, &
debug_levelBasic
use mesh, only: mesh_NcpElems, &
mesh_maxNips, &
mesh_maxNipNeighbors
use mesh, only: theMesh
use material, only: phase_plasticity, &
homogenization_maxNgrains, &
phase_plasticityInstance, &
@ -430,6 +428,7 @@ allocate(minDipoleHeightPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), source=0.0_pReal)
allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNinstances), source=0.0_pReal)
rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
@ -697,23 +696,23 @@ allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstances),
allocate(forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal)
allocate(interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNinstances), source=0.0_pReal)
allocate(lattice2slip(1:3, 1:3, maxTotalNslip,maxNinstances), source=0.0_pReal)
allocate(sourceProbability(maxTotalNslip,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(sourceProbability(maxTotalNslip,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=2.0_pReal)
allocate(rhoDotFluxOutput(maxTotalNslip,8,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotFluxOutput(maxTotalNslip,8,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(rhoDotMultiplicationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotMultiplicationOutput(maxTotalNslip,2,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(rhoDotSingle2DipoleGlideOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotSingle2DipoleGlideOutput(maxTotalNslip,2,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(rhoDotAthermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotAthermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(rhoDotThermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotThermalAnnihilationOutput(maxTotalNslip,2,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(rhoDotEdgeJogsOutput(maxTotalNslip,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), &
allocate(rhoDotEdgeJogsOutput(maxTotalNslip,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(compatibility(2,maxTotalNslip,maxTotalNslip,mesh_maxNipNeighbors,mesh_maxNips,mesh_NcpElems), &
allocate(compatibility(2,maxTotalNslip,maxTotalNslip,theMesh%elem%nIPneighbors,theMesh%elem%nIPs,theMesh%nElems), &
source=0.0_pReal)
allocate(peierlsStress(maxTotalNslip,2,maxNinstances), source=0.0_pReal)
allocate(colinearSystem(maxTotalNslip,maxNinstances), source=0_pInt)
@ -798,7 +797,6 @@ allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNinstances),
plasticState(phase)%nonlocal = .true.
call material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,sizeDeltaState, &
totalNslip(instance),0_pInt,0_pInt)
@ -999,10 +997,8 @@ use IO, only: IO_error
use lattice, only: lattice_maxNslipFamily
use math, only: math_sampleGaussVar
use mesh, only: mesh_ipVolume, &
mesh_NcpElems, &
mesh_element, &
FE_Nips, &
FE_geomtype
theMesh, &
mesh_element
use material, only: material_phase, &
phase_plasticityInstance, &
plasticState, &
@ -1041,8 +1037,8 @@ do instance = 1_pInt,maxNinstances
minimumIpVolume = huge(1.0_pReal)
totalVolume = 0.0_pReal
do e = 1_pInt,mesh_NcpElems
do i = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,e)))
do e = 1_pInt,theMesh%nElems
do i = 1_pInt,theMesh%elem%nIPs
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
totalVolume = totalVolume + mesh_ipVolume(i,e)
@ -1057,8 +1053,8 @@ do instance = 1_pInt,maxNinstances
meanDensity = 0.0_pReal
do while(meanDensity < rhoSglRandom(instance))
call random_number(rnd)
e = nint(rnd(1)*real(mesh_NcpElems,pReal)+0.5_pReal,pInt)
i = nint(rnd(2)*real(FE_Nips(FE_geomtype(mesh_element(2,e))),pReal)+0.5_pReal,pInt)
e = nint(rnd(1)*real(theMesh%nElems,pReal)+0.5_pReal,pInt)
i = nint(rnd(2)*real(theMesh%elem%nIPs,pReal)+0.5_pReal,pInt)
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
s = nint(rnd(3)*real(ns,pReal)+0.5_pReal,pInt)
@ -1071,8 +1067,8 @@ do instance = 1_pInt,maxNinstances
enddo
! homogeneous distribution of density with some noise
else
do e = 1_pInt,mesh_NcpElems
do i = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,e)))
do e = 1_pInt,theMesh%nElems
do i = 1_pInt,theMesh%elem%nIPs
if (PLASTICITY_NONLOCAL_ID == phase_plasticity(material_phase(1,i,e)) &
.and. instance == phase_plasticityInstance(material_phase(1,i,e))) then
do f = 1_pInt,lattice_maxNslipFamily
@ -1154,16 +1150,13 @@ use debug, only: &
debug_i, &
debug_e
use mesh, only: &
theMesh, &
mesh_element, &
mesh_ipNeighborhood, &
mesh_ipCoordinates, &
mesh_ipVolume, &
mesh_ipAreaNormal, &
mesh_ipArea, &
FE_NipNeighbors, &
mesh_maxNipNeighbors, &
FE_geomtype, &
FE_celltype
mesh_ipArea
use material, only: &
material_phase, &
phase_localPlasticity, &
@ -1223,7 +1216,7 @@ real(pReal), dimension(3,3) :: invFe, & ! inverse of elast
invFp, & ! inverse of plastic deformation gradient
connections, &
invConnections
real(pReal), dimension(3,mesh_maxNipNeighbors) :: &
real(pReal), dimension(3,theMesh%elem%nIPneighbors) :: &
connection_latticeConf
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el)))) :: &
rhoExcess
@ -1234,7 +1227,7 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))), &
totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el)))) :: &
myInteractionMatrix ! corrected slip interaction matrix
real(pReal), dimension(2,maxval(totalNslip),mesh_maxNipNeighbors) :: &
real(pReal), dimension(2,maxval(totalNslip),theMesh%elem%nIPneighbors) :: &
neighbor_rhoExcess, & ! excess density at neighboring material point
neighbor_rhoTotal ! total density at neighboring material point
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1_pInt,ip,el))),2) :: &
@ -1309,7 +1302,7 @@ if (.not. phase_localPlasticity(ph) .and. shortRangeStressCorrection(instance))
nRealNeighbors = 0_pInt
neighbor_rhoTotal = 0.0_pReal
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el))))
do n = 1_pInt,theMesh%elem%nIPneighbors
neighbor_el = mesh_ipNeighborhood(1,n,ip,el)
neighbor_ip = mesh_ipNeighborhood(2,n,ip,el)
np = phaseAt(1,neighbor_ip,neighbor_el)
@ -1995,16 +1988,12 @@ use math, only: math_mul6x6, &
math_det33, &
math_transpose33, &
pi
use mesh, only: mesh_NcpElems, &
mesh_maxNips, &
use mesh, only: theMesh, &
mesh_element, &
mesh_ipNeighborhood, &
mesh_ipVolume, &
mesh_ipArea, &
mesh_ipAreaNormal, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
mesh_ipAreaNormal
use material, only: homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance, &
@ -2030,9 +2019,9 @@ integer(pInt), intent(in) :: ip, &
real(pReal), intent(in) :: Temperature, & !< temperature
timestep !< substepped crystallite time increment
real(pReal), dimension(6), intent(in) :: Tstar_v !< current 2nd Piola-Kirchhoff stress in Mandel notation
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
real(pReal), dimension(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), intent(in) :: &
subfrac !< fraction of timestep at the beginning of the substepped crystallite time increment
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
real(pReal), dimension(3,3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), intent(in) :: &
Fe, & !< elastic deformation gradient
Fp !< plastic deformation gradient
@ -2311,8 +2300,8 @@ if (.not. phase_localPlasticity(material_phase(1_pInt,ip,el))) then
my_Fe = Fe(1:3,1:3,1_pInt,ip,el)
my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,1_pInt,ip,el))
do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el)))) ! loop through my neighbors
! write(6,*) 'c'
do n = 1_pInt,theMesh%elem%nIPneighbors
neighbor_el = mesh_ipNeighborhood(1,n,ip,el)
neighbor_ip = mesh_ipNeighborhood(2,n,ip,el)
neighbor_n = mesh_ipNeighborhood(3,n,ip,el)
@ -2611,11 +2600,7 @@ use material, only: material_phase, &
homogenization_maxNgrains
use mesh, only: mesh_element, &
mesh_ipNeighborhood, &
mesh_maxNips, &
mesh_NcpElems, &
FE_NipNeighbors, &
FE_geomtype, &
FE_celltype
theMesh
use lattice, only: lattice_sn, &
lattice_sd, &
lattice_qDisorientation
@ -2625,7 +2610,7 @@ implicit none
!* input variables
integer(pInt), intent(in) :: i, & ! ip index
e ! element index
real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
real(pReal), dimension(4,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), intent(in) :: &
orientation ! crystal orientation in quaternions
!* local variables
@ -2644,7 +2629,7 @@ integer(pInt) Nneighbors, &
real(pReal), dimension(4) :: absoluteMisorientation ! absolute misorientation (without symmetry) between me and my neighbor
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phase(1,i,e))),&
totalNslip(phase_plasticityInstance(material_phase(1,i,e))),&
FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))) :: &
theMesh%elem%nIPneighbors) :: &
my_compatibility ! my_compatibility for current element and ip
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1,i,e)))) :: &
slipNormal, &
@ -2656,7 +2641,7 @@ logical, dimension(totalNslip(phase_plasticityInstance(material_phase(1,i,e))))
belowThreshold
Nneighbors = FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
Nneighbors = theMesh%elem%nIPneighbors
ph = material_phase(1,i,e)
textureID = material_texture(1,i,e)
instance = phase_plasticityInstance(ph)
@ -2771,8 +2756,7 @@ function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el)
math_mul33x33, &
pi
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
theMesh
use material, only: &
homogenization_maxNgrains, &
material_phase, &
@ -2790,7 +2774,7 @@ function plastic_nonlocal_postResults(Tstar_v,Fe,ip,el)
implicit none
real(pReal), dimension(6), intent(in) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
real(pReal), dimension(3,3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%nElems), intent(in) :: &
Fe !< elastic deformation gradient
integer(pInt), intent(in) :: &
ip, & !< integration point
@ -2900,8 +2884,8 @@ forall (s = 1_pInt:ns) &
lattice_sn(1:3,slipSystemLattice(s,instance),ph))
outputsLoop: do o = 1_pInt,size(param(instance)%outputID)
select case(param(instance)%outputID(o))
outputsLoop: do o = 1_pInt,plastic_nonlocal_Noutput(instance)
select case(plastic_nonlocal_outputID(o,instance))
case (rho_sgl_edge_pos_mobile_ID)
plastic_nonlocal_postResults(cs+1_pInt:cs+ns) = rhoSgl(1:ns,1)