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Merge remote-tracking branch 'origin/development' into grid-mesh-cleanup

This commit is contained in:
Martin Diehl 2019-05-14 11:13:09 +02:00
parent a8b9b5d1c9 387c45d0f4
commit 3be5c6a5bc
30 changed files with 1086 additions and 3003 deletions
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2
.gitlab-ci.yml
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@ -506,7 +506,7 @@ Processing:
- rm abq_addUserOutput.py marc_addUserOutput.py
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
- cd $DAMASKROOT/processing/post
- rm marc_to_vtk.py vtk2ang.py DAD*.py
- rm vtk2ang.py DAD*.py
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
except:
- master

2
VERSION
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@ -1 +1 @@
v2.0.3-252-g0e77be25
v2.0.3-261-g99878952

199
processing/post/marc_to_vtk.py
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@ -1,199 +0,0 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys,re
import argparse
import damask
import vtk, numpy as np
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName, damask.version])
parser = argparse.ArgumentParser(description='Convert from Marc input file format (.dat) to VTK format (.vtu)', version = scriptID)
parser.add_argument('filename', type=str, help='file to convert')
parser.add_argument('-t', '--table', type=str, help='ASCIItable file containing nodal data to subdivide and interpolate')
args = parser.parse_args()
with open(args.filename, 'r') as marcfile:
marctext = marcfile.read();
# Load table (if any)
if args.table is not None:
try:
table = damask.ASCIItable(
name=args.table,
outname='subdivided_{}'.format(args.table),
buffered=True
)
table.head_read()
table.data_readArray()
# Python list is faster for appending
nodal_data = list(table.data)
except: args.table = None
# Extract connectivity chunk from file...
connectivity_text = re.findall(r'connectivity[\n\r]+(.*?)[\n\r]+[a-zA-Z]', marctext, flags=(re.MULTILINE | re.DOTALL))[0]
connectivity_lines = re.split(r'[\n\r]+', connectivity_text, flags=(re.MULTILINE | re.DOTALL))
connectivity_header = connectivity_lines[0]
connectivity_lines = connectivity_lines[1:]
# Construct element map
elements = dict(map(lambda line:
(
int(line[0:10]), # index
{
'type': int(line[10:20]),
'verts': list(map(int, re.split(r' +', line[20:].strip())))
}
), connectivity_lines))
# Extract coordinate chunk from file
coordinates_text = re.findall(r'coordinates[\n\r]+(.*?)[\n\r]+[a-zA-Z]', marctext, flags=(re.MULTILINE | re.DOTALL))[0]
coordinates_lines = re.split(r'[\n\r]+', coordinates_text, flags=(re.MULTILINE | re.DOTALL))
coordinates_header = coordinates_lines[0]
coordinates_lines = coordinates_lines[1:]
# marc input file does not use "e" in scientific notation, this adds it and converts
fl_format = lambda string: float(re.sub(r'(\d)([\+\-])', r'\1e\2', string))
# Construct coordinate map
coordinates = dict(map(lambda line:
(
int(line[0:10]),
np.array([
fl_format(line[10:30]),
fl_format(line[30:50]),
fl_format(line[50:70])
])
), coordinates_lines))
# Subdivide volumes
grid = vtk.vtkUnstructuredGrid()
vertex_count = len(coordinates)
edge_to_vert = dict() # when edges are subdivided, a new vertex in the middle is produced and placed in here
ordered_pair = lambda a, b: (a, b) if a < b else (b, a) # edges are bidirectional
def subdivide_edge(vert1, vert2):
edge = ordered_pair(vert1, vert2)
if edge in edge_to_vert:
return edge_to_vert[edge]
# Vertex does not exist, create it
newvert = len(coordinates) + 1
coordinates[newvert] = 0.5 * (coordinates[vert1] + coordinates[vert2]) # Average
edge_to_vert[edge] = newvert;
# Interpolate nodal data
if args.table is not None:
nodal_data.append(0.5 * (nodal_data[vert1 - 1] + nodal_data[vert2 - 1]))
return newvert;
for el_id in range(1, len(elements) + 1): # Marc starts counting at 1
el = elements[el_id]
if el['type'] == 7:
# Hexahedron, subdivided
# There may be a better way to iterate over these, but this is consistent
# with the ordering scheme provided at https://damask.mpie.de/pub/Documentation/ElementType
subverts = np.zeros((3,3,3), dtype=int)
# Get corners
subverts[0, 0, 0] = el['verts'][0]
subverts[2, 0, 0] = el['verts'][1]
subverts[2, 2, 0] = el['verts'][2]
subverts[0, 2, 0] = el['verts'][3]
subverts[0, 0, 2] = el['verts'][4]
subverts[2, 0, 2] = el['verts'][5]
subverts[2, 2, 2] = el['verts'][6]
subverts[0, 2, 2] = el['verts'][7]
# lower edges
subverts[1, 0, 0] = subdivide_edge(subverts[0, 0, 0], subverts[2, 0, 0])
subverts[2, 1, 0] = subdivide_edge(subverts[2, 0, 0], subverts[2, 2, 0])
subverts[1, 2, 0] = subdivide_edge(subverts[2, 2, 0], subverts[0, 2, 0])
subverts[0, 1, 0] = subdivide_edge(subverts[0, 2, 0], subverts[0, 0, 0])
# middle edges
subverts[0, 0, 1] = subdivide_edge(subverts[0, 0, 0], subverts[0, 0, 2])
subverts[2, 0, 1] = subdivide_edge(subverts[2, 0, 0], subverts[2, 0, 2])
subverts[2, 2, 1] = subdivide_edge(subverts[2, 2, 0], subverts[2, 2, 2])
subverts[0, 2, 1] = subdivide_edge(subverts[0, 2, 0], subverts[0, 2, 2])
# top edges
subverts[1, 0, 2] = subdivide_edge(subverts[0, 0, 2], subverts[2, 0, 2])
subverts[2, 1, 2] = subdivide_edge(subverts[2, 0, 2], subverts[2, 2, 2])
subverts[1, 2, 2] = subdivide_edge(subverts[2, 2, 2], subverts[0, 2, 2])
subverts[0, 1, 2] = subdivide_edge(subverts[0, 2, 2], subverts[0, 0, 2])
# then faces... The edge_to_vert addition is due to there being two ways
# to calculate a face vertex, depending on which opposite vertices are used to subdivide.
# This way, we avoid creating duplicate vertices.
subverts[1, 1, 0] = subdivide_edge(subverts[1, 0, 0], subverts[1, 2, 0])
edge_to_vert[ordered_pair(subverts[0, 1, 0], subverts[2, 1, 0])] = subverts[1, 1, 0]
subverts[1, 0, 1] = subdivide_edge(subverts[1, 0, 0], subverts[1, 0, 2])
edge_to_vert[ordered_pair(subverts[0, 0, 1], subverts[2, 0, 1])] = subverts[1, 0, 1]
subverts[2, 1, 1] = subdivide_edge(subverts[2, 1, 0], subverts[2, 1, 2])
edge_to_vert[ordered_pair(subverts[2, 0, 1], subverts[2, 2, 1])] = subverts[2, 1, 1]
subverts[1, 2, 1] = subdivide_edge(subverts[1, 2, 0], subverts[1, 2, 2])
edge_to_vert[ordered_pair(subverts[0, 2, 1], subverts[2, 2, 1])] = subverts[1, 2, 1]
subverts[0, 1, 1] = subdivide_edge(subverts[0, 1, 0], subverts[0, 1, 2])
edge_to_vert[ordered_pair(subverts[0, 0, 1], subverts[0, 2, 1])] = subverts[0, 1, 1]
subverts[1, 1, 2] = subdivide_edge(subverts[1, 0, 2], subverts[1, 2, 2])
edge_to_vert[ordered_pair(subverts[0, 1, 2], subverts[2, 1, 2])] = subverts[1, 1, 2]
# and finally the center. There are three ways to calculate, but elements should
# not intersect, so the edge_to_vert part isn't needed here.
subverts[1, 1, 1] = subdivide_edge(subverts[1, 1, 0], subverts[1, 1, 2])
# Now make the hexahedron subelements
# order in which vtk expects vertices for a hexahedron
order = np.array([(0,0,0),(1,0,0),(1,1,0),(0,1,0),(0,0,1),(1,0,1),(1,1,1),(0,1,1)])
for z in range(2):
for y in range(2):
for x in range(2):
hex_ = vtk.vtkHexahedron()
for vert_id in range(8):
coord = order[vert_id] + (x, y, z)
# minus one, since vtk starts at zero but marc starts at one
hex_.GetPointIds().SetId(vert_id, subverts[coord[0], coord[1], coord[2]] - 1)
grid.InsertNextCell(hex_.GetCellType(), hex_.GetPointIds())
else:
damask.util.croak('Unsupported Marc element type: {} (skipping)'.format(el['type']))
# Load all points
points = vtk.vtkPoints()
for point in range(1, len(coordinates) + 1): # marc indices start at 1
points.InsertNextPoint(coordinates[point].tolist())
grid.SetPoints(points)
# grid now contains the elements from the given marc file
writer = vtk.vtkXMLUnstructuredGridWriter()
writer.SetFileName(re.sub(r'\..+', ".vtu", args.filename)) # *.vtk extension does not work in paraview
if vtk.VTK_MAJOR_VERSION <= 5: writer.SetInput(grid)
else: writer.SetInputData(grid)
writer.Write()
if args.table is not None:
table.info_append([
scriptID + ' ' + ' '.join(sys.argv[1:]),
])
table.head_write()
table.output_flush()
table.data = np.array(nodal_data)
table.data_writeArray()
table.close()

3
src/CPFEM2.f90
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@ -299,6 +299,8 @@ subroutine CPFEM_results(inc,time)
pInt
use results
use HDF5_utilities
use homogenization, only: &
homogenization_results
use constitutive, only: &
constitutive_results
use crystallite, only: &
@ -312,6 +314,7 @@ subroutine CPFEM_results(inc,time)
call results_addIncrement(inc,time)
call constitutive_results
call crystallite_results
call homogenization_results
call results_removeLink('current') ! ToDo: put this into closeJobFile
call results_closeJobFile

55
src/DAMASK_interface.f90
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@ -15,6 +15,9 @@
#define PETSC_MINOR_MIN 10
#define PETSC_MINOR_MAX 11
module DAMASK_interface
use prec
use system_routines
implicit none
private
logical, public, protected :: &
@ -39,6 +42,7 @@ module DAMASK_interface
getLoadCaseFile, &
rectifyPath, &
makeRelativePath
contains
!--------------------------------------------------------------------------------------------------
@ -46,18 +50,8 @@ contains
!! information on computation to screen
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
use, intrinsic :: &
iso_fortran_env
use, intrinsic :: &
iso_c_binding
use, intrinsic :: iso_fortran_env
use PETScSys
use prec, only: &
pReal
use system_routines, only: &
signalusr1_C, &
signalusr2_C, &
getHostName, &
getCWD
#include <petsc/finclude/petscsys.h>
#if defined(__GFORTRAN__) && __GNUC__<GCC_MIN
@ -96,7 +90,6 @@ subroutine DAMASK_interface_init
===================================================================================================
#endif
implicit none
character(len=1024) :: &
commandLine, & !< command line call as string
arg, & !< individual argument
@ -304,11 +297,7 @@ end subroutine DAMASK_interface_init
!! possibly converting relative arguments to absolut path
!--------------------------------------------------------------------------------------------------
subroutine setWorkingDirectory(workingDirectoryArg)
use system_routines, only: &
getCWD, &
setCWD
implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=1024) :: workingDirectory !< working directory argument
logical :: error
@ -336,22 +325,17 @@ end subroutine setWorkingDirectory
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName()
implicit none
integer :: posExt,posSep
character(len=1024) :: tempString
posExt = scan(geometryFile,'.',back=.true.)
posSep = scan(geometryFile,'/',back=.true.)
tempString = geometryFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = geometryFile(posSep+1:posExt-1)
getSolverJobName = tempString(posSep+1:posExt-1)
posExt = scan(loadCaseFile,'.',back=.true.)
posSep = scan(loadCaseFile,'/',back=.true.)
tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
getSolverJobName = trim(getSolverJobName)//'_'//loadCaseFile(posSep+1:posExt-1)
end function getSolverJobName
@ -360,10 +344,7 @@ end function getSolverJobName
!> @brief basename of geometry file with extension from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter)
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: geometryParameter
logical :: file_exists
external :: quit
@ -385,10 +366,7 @@ end function getGeometryFile
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter)
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists
external :: quit
@ -412,7 +390,6 @@ end function getLoadCaseFile
!--------------------------------------------------------------------------------------------------
function rectifyPath(path)
implicit none
character(len=*) :: path
character(len=1024) :: rectifyPath
integer :: i,j,k,l
@ -457,7 +434,6 @@ end function rectifyPath
!--------------------------------------------------------------------------------------------------
character(len=1024) function makeRelativePath(a,b)
implicit none
character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes
@ -484,9 +460,7 @@ end function makeRelativePath
!> @brief sets global variable SIGTERM to .true.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGTERM(signal) bind(C)
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGTERM = .true.
@ -500,7 +474,6 @@ end subroutine catchSIGTERM
!--------------------------------------------------------------------------------------------------
subroutine setSIGTERM(state)
implicit none
logical, intent(in) :: state
SIGTERM = state
@ -511,9 +484,7 @@ end subroutine setSIGTERM
!> @brief sets global variable SIGUSR1 to .true.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR1(signal) bind(C)
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGUSR1 = .true.
@ -527,7 +498,6 @@ end subroutine catchSIGUSR1
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR1(state)
implicit none
logical, intent(in) :: state
SIGUSR1 = state
@ -538,9 +508,7 @@ end subroutine setSIGUSR1
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR2(signal) bind(C)
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGUSR2 = .true.
@ -554,7 +522,6 @@ end subroutine catchSIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR2(state)
implicit none
logical, intent(in) :: state
SIGUSR2 = state

19
src/Lambert.f90
View File

@ -38,11 +38,7 @@
!> Modeling and Simulations in Materials Science and Engineering 22, 075013 (2014).
!--------------------------------------------------------------------------
module Lambert
use prec, only: &
pReal
use math, only: &
PI
use future
use math
implicit none
private
@ -73,11 +69,7 @@ contains
!> @brief map from 3D cubic grid to 3D ball
!--------------------------------------------------------------------------
function LambertCubeToBall(cube) result(ball)
use, intrinsic :: IEEE_ARITHMETIC
use prec, only: &
dEq0
implicit none
real(pReal), intent(in), dimension(3) :: cube
real(pReal), dimension(3) :: ball, LamXYZ, XYZ
real(pReal), dimension(2) :: T
@ -133,15 +125,7 @@ end function LambertCubeToBall
!> @brief map from 3D ball to 3D cubic grid
!--------------------------------------------------------------------------
pure function LambertBallToCube(xyz) result(cube)
use, intrinsic :: IEEE_ARITHMETIC, only:&
IEEE_positive_inf, &
IEEE_value
use prec, only: &
dEq0
use math, only: &
math_clip
implicit none
real(pReal), intent(in), dimension(3) :: xyz
real(pReal), dimension(3) :: cube, xyz1, xyz3
real(pReal), dimension(2) :: Tinv, xyz2
@ -196,7 +180,6 @@ end function LambertBallToCube
!--------------------------------------------------------------------------
pure function GetPyramidOrder(xyz)
implicit none
real(pReal),intent(in),dimension(3) :: xyz
integer, dimension(3) :: GetPyramidOrder

46
src/constitutive.f90
View File

@ -4,8 +4,7 @@
!> @brief elasticity, plasticity, internal microstructure state
!--------------------------------------------------------------------------------------------------
module constitutive
use prec, only: &
pInt
use math
implicit none
private
@ -38,8 +37,6 @@ contains
!> @brief allocates arrays pointing to array of the various constitutive modules
!--------------------------------------------------------------------------------------------------
subroutine constitutive_init
use prec, only: &
pReal
use debug, only: &
debug_constitutive, &
debug_levelBasic
@ -109,7 +106,6 @@ subroutine constitutive_init
use kinematics_slipplane_opening
use kinematics_thermal_expansion
implicit none
integer, parameter :: FILEUNIT = 204
integer :: &
o, & !< counter in output loop
@ -285,8 +281,6 @@ end subroutine constitutive_init
!> ToDo: homogenizedC66 would be more consistent
!--------------------------------------------------------------------------------------------------
function constitutive_homogenizedC(ipc,ip,el)
use prec, only: &
pReal
use material, only: &
phase_plasticity, &
material_phase, &
@ -297,7 +291,6 @@ function constitutive_homogenizedC(ipc,ip,el)
use lattice, only: &
lattice_C66
implicit none
real(pReal), dimension(6,6) :: constitutive_homogenizedC
integer, intent(in) :: &
ipc, & !< component-ID of integration point
@ -317,8 +310,6 @@ end function constitutive_homogenizedC
!> @brief calls microstructure function of the different constitutive models
!--------------------------------------------------------------------------------------------------
subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
use prec, only: &
pReal
use material, only: &
phasememberAt, &
phase_plasticity, &
@ -337,7 +328,6 @@ subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
use plastic_disloUCLA, only: &
plastic_disloUCLA_dependentState
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -376,8 +366,6 @@ end subroutine constitutive_microstructure
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, ipc, ip, el)
use prec, only: &
pReal
use material, only: &
phasememberAt, &
phase_plasticity, &
@ -408,7 +396,6 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
use plastic_nonlocal, only: &
plastic_nonlocal_LpAndItsTangent
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -488,12 +475,6 @@ end subroutine constitutive_LpAndItsTangents
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, ipc, ip, el)
use prec, only: &
pReal
use math, only: &
math_I3, &
math_inv33, &
math_det33
use material, only: &
phasememberAt, &
phase_plasticity, &
@ -515,7 +496,6 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
use kinematics_thermal_expansion, only: &
kinematics_thermal_expansion_LiAndItsTangent
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -593,10 +573,6 @@ end subroutine constitutive_LiAndItsTangents
!> @brief collects initial intermediate deformation gradient
!--------------------------------------------------------------------------------------------------
pure function constitutive_initialFi(ipc, ip, el)
use prec, only: &
pReal
use math, only: &
math_I3
use material, only: &
material_phase, &
material_homogenizationAt, &
@ -608,7 +584,6 @@ pure function constitutive_initialFi(ipc, ip, el)
use kinematics_thermal_expansion, only: &
kinematics_thermal_expansion_initialStrain
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -643,10 +618,7 @@ end function constitutive_initialFi
!! (so far no case switch because only Hooke is implemented)
!--------------------------------------------------------------------------------------------------
subroutine constitutive_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip, el)
use prec, only: &
pReal
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -672,12 +644,6 @@ end subroutine constitutive_SandItsTangents
!--------------------------------------------------------------------------------------------------
subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
Fe, Fi, ipc, ip, el)
use prec, only: &
pReal
use math, only : &
math_mul3333xx33, &
math_66toSym3333, &
math_I3
use material, only: &
material_phase, &
material_homogenizationAt, &
@ -687,7 +653,6 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
damageMapping, &
STIFFNESS_DEGRADATION_damage_ID
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -735,8 +700,6 @@ end subroutine constitutive_hooke_SandItsTangents
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip, el)
use prec, only: &
pReal
use debug, only: &
debug_level, &
debug_constitutive, &
@ -786,7 +749,6 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
use source_thermal_externalheat, only: &
source_thermal_externalheat_dotState
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -873,8 +835,6 @@ end subroutine constitutive_collectDotState
!> will return false if delta state is not needed/supported by the constitutive model
!--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
use prec, only: &
pReal
use debug, only: &
debug_level, &
debug_constitutive, &
@ -896,7 +856,6 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
use source_damage_isoBrittle, only: &
source_damage_isoBrittle_deltaState
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -944,8 +903,6 @@ end subroutine constitutive_collectDeltaState
!> @brief returns array of constitutive results
!--------------------------------------------------------------------------------------------------
function constitutive_postResults(S, Fi, ipc, ip, el)
use prec, only: &
pReal
use material, only: &
phasememberAt, &
phase_plasticityInstance, &
@ -990,7 +947,6 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
use source_damage_anisoDuctile, only: &
source_damage_anisoDuctile_postResults
implicit none
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point

2
src/crystallite.f90
View File

@ -937,8 +937,6 @@ end function crystallite_push33ToRef
!--------------------------------------------------------------------------------------------------
function crystallite_postResults(ipc, ip, el)
use math, only: &
math_qToEuler, &
math_qToEulerAxisAngle, &
math_det33, &
math_I3, &
inDeg

106
src/homogenization.f90
View File

@ -7,6 +7,7 @@
module homogenization
use prec, only: &
pReal
use material
!--------------------------------------------------------------------------------------------------
! General variables for the homogenization at a material point
@ -66,7 +67,8 @@ module homogenization
public :: &
homogenization_init, &
materialpoint_stressAndItsTangent, &
materialpoint_postResults
materialpoint_postResults, &
homogenization_results
private :: &
partitionDeformation, &
updateState, &
@ -100,7 +102,6 @@ subroutine homogenization_init
config_deallocate, &
config_homogenization, &
homogenization_name
use material
use homogenization_mech_RGC
use thermal_isothermal
use thermal_adiabatic
@ -291,7 +292,6 @@ subroutine homogenization_init
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_requested: ', shape(materialpoint_requested)
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_converged: ', shape(materialpoint_converged)
write(6,'(a32,1x,7(i8,1x),/)') 'materialpoint_doneAndHappy: ', shape(materialpoint_doneAndHappy)
write(6,'(a32,1x,7(i8,1x))') 'maxSizePostResults: ', homogenization_maxSizePostResults
endif
flush(6)
@ -316,17 +316,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
terminallyIll
use mesh, only: &
mesh_element
use material, only: &
plasticState, &
sourceState, &
homogState, &
thermalState, &
damageState, &
phase_Nsources, &
material_homogenizationAt, &
mappingHomogenization, &
phaseAt, phasememberAt, &
homogenization_Ngrains
use crystallite, only: &
crystallite_F0, &
crystallite_Fp0, &
@ -658,16 +647,6 @@ subroutine materialpoint_postResults
FEsolving_execIP
use mesh, only: &
mesh_element
use material, only: &
material_homogenizationAt, &
homogState, &
thermalState, &
damageState, &
plasticState, &
sourceState, &
material_phase, &
homogenization_Ngrains, &
microstructure_crystallite
use crystallite, only: &
crystallite_sizePostResults, &
crystallite_postResults
@ -723,12 +702,6 @@ end subroutine materialpoint_postResults
subroutine partitionDeformation(ip,el)
use mesh, only: &
mesh_element
use material, only: &
homogenization_type, &
homogenization_Ngrains, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
use crystallite, only: &
crystallite_partionedF
use homogenization_mech_RGC, only: &
@ -767,14 +740,6 @@ end subroutine partitionDeformation
function updateState(ip,el)
use mesh, only: &
mesh_element
use material, only: &
homogenization_type, &
thermal_type, &
damage_type, &
homogenization_Ngrains, &
HOMOGENIZATION_RGC_ID, &
THERMAL_adiabatic_ID, &
DAMAGE_local_ID
use crystallite, only: &
crystallite_P, &
crystallite_dPdF, &
@ -835,13 +800,6 @@ end function updateState
subroutine averageStressAndItsTangent(ip,el)
use mesh, only: &
mesh_element
use material, only: &
homogenization_type, &
homogenization_typeInstance, &
homogenization_Ngrains, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
use crystallite, only: &
crystallite_P,crystallite_dPdF
use homogenization_mech_RGC, only: &
@ -884,27 +842,6 @@ end subroutine averageStressAndItsTangent
function postResults(ip,el)
use mesh, only: &
mesh_element
use material, only: &
thermalMapping, &
thermal_typeInstance, &
material_homogenizationAt, &
homogenization_typeInstance,&
mappingHomogenization, &
homogState, &
thermalState, &
damageState, &
homogenization_type, &
thermal_type, &
damage_type, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID, &
THERMAL_isothermal_ID, &
THERMAL_adiabatic_ID, &
THERMAL_conduction_ID, &
DAMAGE_none_ID, &
DAMAGE_local_ID, &
DAMAGE_nonlocal_ID
use homogenization_mech_RGC, only: &
homogenization_RGC_postResults
use thermal_adiabatic, only: &
@ -969,4 +906,41 @@ function postResults(ip,el)
end function postResults
!--------------------------------------------------------------------------------------------------
!> @brief writes homogenization results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
use homogenization_mech_RGC
use HDF5_utilities
use config, only: &
config_name_homogenization => homogenization_name ! anticipate logical name
use material, only: &
homogenization_typeInstance, &
material_homogenization_type => homogenization_type
integer :: p
character(len=256) :: group
do p=1,size(config_name_homogenization)
group = trim('current/materialpoint')//'/'//trim(config_name_homogenization(p))
call HDF5_closeGroup(results_addGroup(group))
group = trim(group)//'/mech'
call HDF5_closeGroup(results_addGroup(group))
select case(material_homogenization_type(p))
case(HOMOGENIZATION_rgc_ID)
call mech_RGC_results(homogenization_typeInstance(p),group)
end select
enddo
#endif
end subroutine homogenization_results
end module homogenization

68
src/homogenization_mech_RGC.f90
View File

@ -9,6 +9,7 @@
module homogenization_mech_RGC
use prec, only: &
pReal
use material
implicit none
private
@ -75,7 +76,8 @@ module homogenization_mech_RGC
homogenization_RGC_partitionDeformation, &
homogenization_RGC_averageStressAndItsTangent, &
homogenization_RGC_updateState, &
homogenization_RGC_postResults
homogenization_RGC_postResults, &
mech_RGC_results ! name suited for planned submodule situation
private :: &
relaxationVector, &
interfaceNormal, &
@ -104,18 +106,6 @@ subroutine homogenization_RGC_init()
INRAD
use IO, only: &
IO_error
use material, only: &
#ifdef DEBUG
mappingHomogenization, &
#endif
homogenization_type, &
material_homogenizationAt, &
homogState, &
HOMOGENIZATION_RGC_ID, &
HOMOGENIZATION_RGC_LABEL, &
homogenization_typeInstance, &
homogenization_Noutput, &
homogenization_Ngrains
use config, only: &
config_homogenization
@ -322,10 +312,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
#endif
use math, only: &
math_invert2
use material, only: &
material_homogenizationAt, &
homogenization_typeInstance, &
mappingHomogenization
use numerics, only: &
absTol_RGC, &
relTol_RGC, &
@ -1109,6 +1095,54 @@ pure function homogenization_RGC_postResults(instance,of) result(postResults)
end function homogenization_RGC_postResults
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
! ToDo: check wheter units are correct
!--------------------------------------------------------------------------------------------------
subroutine mech_RGC_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
integer, intent(in) :: instance
character(len=*) :: group
integer :: o
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (constitutivework_ID)
call results_writeDataset(group,stt%work,'W',&
'work density','J/m³')
case (magnitudemismatch_ID)
call results_writeDataset(group,dst%mismatch,'N',&
'average mismatch tensor','1')
case (penaltyenergy_ID)
call results_writeDataset(group,stt%penaltyEnergy,'R',&
'mismatch penalty density','J/m³')
case (volumediscrepancy_ID)
call results_writeDataset(group,dst%volumeDiscrepancy,'Delta_V',&
'volume discrepancy','m³')
case (maximumrelaxrate_ID)
call results_writeDataset(group,dst%relaxationrate_max,'max_alpha_dot',&
'maximum relaxation rate','m/s')
case (averagerelaxrate_ID)
call results_writeDataset(group,dst%relaxationrate_avg,'avg_alpha_dot',&
'average relaxation rate','m/s')
end select
enddo outputsLoop
end associate
#else
integer, intent(in) :: instance
character(len=*) :: group
#endif
end subroutine mech_RGC_results
!--------------------------------------------------------------------------------------------------
!> @brief collect relaxation vectors of an interface
!--------------------------------------------------------------------------------------------------

7
src/homogenization_mech_isostrain.f90
View File

@ -36,13 +36,6 @@ module subroutine mech_isostrain_init
debug_levelBasic
use IO, only: &
IO_error
use material, only: &
homogenization_type, &
material_homogenizationAt, &
homogState, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_ISOSTRAIN_LABEL, &
homogenization_typeInstance
use config, only: &
config_homogenization

6
src/homogenization_mech_none.f90
View File

@ -20,12 +20,6 @@ module subroutine mech_none_init
debug_levelBasic
use config, only: &
config_homogenization
use material, only: &
homogenization_type, &
material_homogenizationAt, &
homogState, &
HOMOGENIZATION_NONE_LABEL, &
HOMOGENIZATION_NONE_ID
implicit none
integer :: &

14
src/list.f90
View File

@ -70,7 +70,6 @@ subroutine add(this,string)
IO_lc, &
IO_stringPos
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: string
type(tPartitionedStringList), pointer :: new, temp
@ -95,7 +94,6 @@ end subroutine add
!--------------------------------------------------------------------------------------------------
subroutine show(this)
implicit none
class(tPartitionedStringList), target, intent(in) :: this
type(tPartitionedStringList), pointer :: item
@ -114,7 +112,6 @@ end subroutine show
!--------------------------------------------------------------------------------------------------
subroutine free(this)
implicit none
class(tPartitionedStringList), intent(inout) :: this
if(associated(this%next)) deallocate(this%next)
@ -128,7 +125,6 @@ end subroutine free
!--------------------------------------------------------------------------------------------------
recursive subroutine finalize(this)
implicit none
type(tPartitionedStringList), intent(inout) :: this
if(associated(this%next)) deallocate(this%next)
@ -142,7 +138,6 @@ end subroutine finalize
!--------------------------------------------------------------------------------------------------
subroutine finalizeArray(this)
implicit none
integer :: i
type(tPartitionedStringList), intent(inout), dimension(:) :: this
type(tPartitionedStringList), pointer :: temp ! bug in Gfortran?
@ -165,7 +160,6 @@ logical function keyExists(this,key)
use IO, only: &
IO_stringValue
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
type(tPartitionedStringList), pointer :: item
@ -189,8 +183,6 @@ integer function countKeys(this,key)
use IO, only: &
IO_stringValue
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
type(tPartitionedStringList), pointer :: item
@ -218,7 +210,6 @@ real(pReal) function getFloat(this,key,defaultVal)
IO_stringValue, &
IO_FloatValue
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
real(pReal), intent(in), optional :: defaultVal
@ -255,7 +246,6 @@ integer function getInt(this,key,defaultVal)
IO_stringValue, &
IO_IntValue
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
integer, intent(in), optional :: defaultVal
@ -292,7 +282,6 @@ character(len=65536) function getString(this,key,defaultVal,raw)
IO_error, &
IO_stringValue
implicit none
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
character(len=*), intent(in), optional :: defaultVal
@ -343,7 +332,6 @@ function getFloats(this,key,defaultVal,requiredSize)
IO_stringValue, &
IO_FloatValue
implicit none
real(pReal), dimension(:), allocatable :: getFloats
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
@ -393,7 +381,6 @@ function getInts(this,key,defaultVal,requiredSize)
IO_stringValue, &
IO_IntValue
implicit none
integer, dimension(:), allocatable :: getInts
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
@ -443,7 +430,6 @@ function getStrings(this,key,defaultVal,raw)
IO_error, &
IO_StringValue
implicit none
character(len=65536),dimension(:), allocatable :: getStrings
class(tPartitionedStringList),target, intent(in) :: this
character(len=*), intent(in) :: key

338
src/material.f90
View File

@ -8,15 +8,9 @@
!! 'phase', 'texture', and 'microstucture'
!--------------------------------------------------------------------------------------------------
module material
use prec, only: &
pReal, &
pInt, &
tState, &
tPlasticState, &
tSourceState, &
tHomogMapping, &
group_float, &
group_int
use prec
use math
use config
implicit none
private
@ -53,55 +47,35 @@ module material
enum, bind(c)
enumerator :: ELASTICITY_undefined_ID, &
ELASTICITY_hooke_ID
end enum
enum, bind(c)
enumerator :: PLASTICITY_undefined_ID, &
ELASTICITY_hooke_ID, &
PLASTICITY_undefined_ID, &
PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, &
PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_kinehardening_ID, &
PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, &
PLASTICITY_nonlocal_ID
end enum
enum, bind(c)
enumerator :: SOURCE_undefined_ID, &
PLASTICITY_nonlocal_ID, &
SOURCE_undefined_ID, &
SOURCE_thermal_dissipation_ID, &
SOURCE_thermal_externalheat_ID, &
SOURCE_damage_isoBrittle_ID, &
SOURCE_damage_isoDuctile_ID, &
SOURCE_damage_anisoBrittle_ID, &
SOURCE_damage_anisoDuctile_ID
end enum
enum, bind(c)
enumerator :: KINEMATICS_undefined_ID, &
SOURCE_damage_anisoDuctile_ID, &
KINEMATICS_undefined_ID, &
KINEMATICS_cleavage_opening_ID, &
KINEMATICS_slipplane_opening_ID, &
KINEMATICS_thermal_expansion_ID
end enum
enum, bind(c)
enumerator :: STIFFNESS_DEGRADATION_undefined_ID, &
STIFFNESS_DEGRADATION_damage_ID
end enum
enum, bind(c)
enumerator :: THERMAL_isothermal_ID, &
KINEMATICS_thermal_expansion_ID, &
STIFFNESS_DEGRADATION_undefined_ID, &
STIFFNESS_DEGRADATION_damage_ID, &
THERMAL_isothermal_ID, &
THERMAL_adiabatic_ID, &
THERMAL_conduction_ID
end enum
enum, bind(c)
enumerator :: DAMAGE_none_ID, &
THERMAL_conduction_ID, &
DAMAGE_none_ID, &
DAMAGE_local_ID, &
DAMAGE_nonlocal_ID
end enum
enum, bind(c)
enumerator :: HOMOGENIZATION_undefined_ID, &
DAMAGE_nonlocal_ID, &
HOMOGENIZATION_undefined_ID, &
HOMOGENIZATION_none_ID, &
HOMOGENIZATION_isostrain_ID, &
HOMOGENIZATION_rgc_ID
@ -279,20 +253,9 @@ subroutine material_init
debug_material, &
debug_levelBasic, &
debug_levelExtensive
use config, only: &
config_crystallite, &
config_homogenization, &
config_microstructure, &
config_phase, &
config_texture, &
homogenization_name, &
microstructure_name, &
phase_name, &
texture_name
use mesh, only: &
theMesh
implicit none
integer(pInt), parameter :: FILEUNIT = 210_pInt
integer(pInt) :: m,c,h, myDebug, myPhase, myHomog
integer(pInt) :: &
@ -461,14 +424,11 @@ end subroutine material_init
!> @brief parses the homogenization part from the material configuration
!--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization
use config, only : &
config_homogenization
use mesh, only: &
theMesh
use IO, only: &
IO_error
implicit none
integer(pInt) :: h
character(len=65536) :: tag
@ -559,21 +519,15 @@ end subroutine material_parseHomogenization
!> @brief parses the microstructure part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseMicrostructure
use prec, only: &
dNeq
use IO, only: &
IO_floatValue, &
IO_intValue, &
IO_stringValue, &
IO_stringPos, &
IO_error
use config, only: &
config_microstructure, &
microstructure_name
use mesh, only: &
theMesh
implicit none
character(len=65536), dimension(:), allocatable :: &
strings
integer(pInt), allocatable, dimension(:) :: chunkPos
@ -637,10 +591,7 @@ end subroutine material_parseMicrostructure
!> @brief parses the crystallite part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseCrystallite
use config, only: &
config_crystallite
implicit none
integer(pInt) :: c
allocate(crystallite_Noutput(size(config_crystallite)),source=0_pInt)
@ -659,10 +610,7 @@ subroutine material_parsePhase
IO_error, &
IO_getTag, &
IO_stringValue
use config, only: &
config_phase
implicit none
integer(pInt) :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p
character(len=65536), dimension(:), allocatable :: str
@ -785,23 +733,12 @@ end subroutine material_parsePhase
!> @brief parses the texture part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseTexture
use prec, only: &
dNeq
use IO, only: &
IO_error, &
IO_stringPos, &
IO_floatValue, &
IO_stringValue
use config, only: &
config_deallocate, &
config_texture
use math, only: &
inRad, &
math_sampleRandomOri, &
math_I3, &
math_det33
implicit none
integer(pInt) :: section, gauss, j, t, i
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
integer(pInt), dimension(:), allocatable :: chunkPos
@ -880,7 +817,6 @@ subroutine material_allocatePlasticState(phase,NofMyPhase,&
use numerics, only: &
numerics_integrator
implicit none
integer(pInt), intent(in) :: &
phase, &
NofMyPhase, &
@ -928,7 +864,6 @@ subroutine material_allocateSourceState(phase,of,NofMyPhase,&
use numerics, only: &
numerics_integrator
implicit none
integer(pInt), intent(in) :: &
phase, &
of, &
@ -967,47 +902,15 @@ end subroutine material_allocateSourceState
!! calculates the volume of the grains and deals with texture components
!--------------------------------------------------------------------------------------------------
subroutine material_populateGrains
use math, only: &
math_EulertoR, &
math_RtoEuler, &
math_mul33x33, &
math_range
use mesh, only: &
theMesh
use config, only: &
config_homogenization, &
config_microstructure, &
config_deallocate
use IO, only: &
IO_error
implicit none
integer(pInt), dimension (:,:), allocatable :: Ngrains
integer(pInt), dimension (microstructure_maxNconstituents) :: &
NgrainsOfConstituent, &
currentGrainOfConstituent, &
randomOrder
real(pReal), dimension (microstructure_maxNconstituents) :: &
rndArray
real(pReal), dimension (:,:), allocatable :: orientationOfGrain
real(pReal), dimension (3) :: orientation
integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, &
phaseID,textureID,dGrains,myNgrains,myNorientations,myNconstituents, &
grain,constituentGrain,ipGrain,ip
real(pReal) :: deviation,extreme,rnd
integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
type(group_int), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
integer(pInt) :: e,i,c,homog,micro
allocate(material_phase(homogenization_maxNgrains,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)
do e = 1, theMesh%Nelems
do i = 1, theMesh%elem%nIPs
homog = theMesh%homogenizationAt(e)
@ -1017,7 +920,7 @@ subroutine material_populateGrains
material_texture(c,i,e) = microstructure_texture(c,micro)
material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,1,material_texture(c,i,e))
material_EulerAngles(1:3,c,i,e) = math_RtoEuler( & ! translate back to Euler angles
math_mul33x33( & ! pre-multiply
matmul( & ! pre-multiply
math_EulertoR(material_EulerAngles(1:3,c,i,e)), & ! face-value orientation
texture_transformation(1:3,1:3,material_texture(c,i,e)) & ! and transformation matrix
) &
@ -1026,209 +929,6 @@ subroutine material_populateGrains
enddo
enddo
return
!--------------------------------------------------------------------------------------------------
! precounting of elements for each homog/micro pair
do e = 1_pInt, theMesh%Nelems
homog = theMesh%homogenizationAt(e)
micro = theMesh%microstructureAt(e)
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
enddo
allocate(elemsOfHomogMicro(size(config_homogenization),size(config_microstructure)))
do homog = 1,size(config_homogenization)
do micro = 1,size(config_microstructure)
if (Nelems(homog,micro) > 0_pInt) then
allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)))
elemsOfHomogMicro(homog,micro)%p = 0_pInt
endif
enddo
enddo
!--------------------------------------------------------------------------------------------------
! 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,theMesh%Nelems
homog = theMesh%homogenizationAt(e)
micro = theMesh%microstructureAt(e)
if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
call IO_error(154_pInt,e,0_pInt,0_pInt)
if (micro < 1_pInt .or. micro > size(config_microstructure)) & ! out of bounds
call IO_error(155_pInt,e,0_pInt,0_pInt)
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) * 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
elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
enddo elementLooping
allocate(phaseOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
allocate(textureOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
homogenizationLoop: do homog = 1_pInt,size(config_homogenization)
dGrains = homogenization_Ngrains(homog) ! grain number per material point
microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
activePair: if (Ngrains(homog,micro) > 0_pInt) then
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
!--------------------------------------------------------------------------------------------------
! divide myNgrains as best over constituents
!
! example: three constituents with fractions of 0.25, 0.25, and 0.5 distributed over 20 (microstructure) grains
!
! ***** ***** **********
! NgrainsOfConstituent: 5, 5, 10
! counters:
! |-----> grain (if constituent == 2)
! |--> constituentGrain (of constituent 2)
!
NgrainsOfConstituent = 0_pInt ! reset counter of grains per constituent
forall (i = 1_pInt:myNconstituents) &
NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro)*real(myNgrains,pReal),pInt)! do rounding integer conversion
do while (sum(NgrainsOfConstituent) /= myNgrains) ! total grain count over constituents wrong?
sgn = sign(1_pInt, myNgrains - sum(NgrainsOfConstituent)) ! direction of required change
extreme = 0.0_pReal
t = 0_pInt
do i = 1_pInt,myNconstituents ! find largest deviator
deviation = real(sgn,pReal)*log( microstructure_fraction(i,micro) / &
!-------------------------------- &
(real(NgrainsOfConstituent(i),pReal)/real(myNgrains,pReal) ) )
if (deviation > extreme) then
extreme = deviation
t = i
endif
enddo
NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one
enddo
!--------------------------------------------------------------------------------------------------
! assign phase and texture info
phaseOfGrain = 0_pInt
textureOfGrain = 0_pInt
orientationOfGrain = 0.0_pReal
texture: do i = 1_pInt,myNconstituents ! loop over constituents
grain = sum(NgrainsOfConstituent(1_pInt:i-1_pInt)) ! set microstructure grain index of current constituent
! "grain" points to start of this constituent's grain population
constituentGrain = 0_pInt ! constituent grain index
phaseID = microstructure_phase(i,micro)
textureID = microstructure_texture(i,micro)
phaseOfGrain (grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/1.0,pInt) ! max number of unique orientations (excl. symmetry)
!--------------------------------------------------------------------------------------------------
! has texture components
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = texture_Gauss(1:3,t,textureID)
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
enddo gauss
!--------------------------------------------------------------------------------------------------
! ...texture transformation
do j = 1_pInt,myNorientations ! loop over each "real" orientation
orientationOfGrain(1:3,grain+j) = math_RtoEuler( & ! translate back to Euler angles
math_mul33x33( & ! pre-multiply
math_EulertoR(orientationOfGrain(1:3,grain+j)), & ! face-value orientation
texture_transformation(1:3,1:3,textureID) & ! and transformation matrix
) &
)
enddo
!--------------------------------------------------------------------------------------------------
! shuffle grains within current constituent
do j = 1_pInt,NgrainsOfConstituent(i)-1_pInt ! walk thru grains of current constituent
call random_number(rnd)
t = nint(rnd*real(NgrainsOfConstituent(i)-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! select a grain in remaining list
m = phaseOfGrain(grain+t) ! exchange current with random
phaseOfGrain(grain+t) = phaseOfGrain(grain+j)
phaseOfGrain(grain+j) = m
m = textureOfGrain(grain+t) ! exchange current with random
textureOfGrain(grain+t) = textureOfGrain(grain+j)
textureOfGrain(grain+j) = m
orientation = orientationOfGrain(1:3,grain+t) ! exchange current with random
orientationOfGrain(1:3,grain+t) = orientationOfGrain(1:3,grain+j)
orientationOfGrain(1:3,grain+j) = orientation
enddo
enddo texture
!< @todo calc fraction after weighing with volumePerGrain, exchange in MC steps to improve result (humbug at the moment)
!--------------------------------------------------------------------------------------------------
! distribute grains of all constituents as accurately as possible to given constituent fractions
ip = 0_pInt
currentGrainOfConstituent = 0_pInt
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
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
m = 1_pInt ! process only first IP
else
m = theMesh%elem%nIPs
endif
do i = 1_pInt, m ! loop over necessary IPs
ip = ip + 1_pInt ! keep track of total ip count
ipGrain = 0_pInt ! count number of grains assigned at this IP
randomOrder = math_range(microstructure_maxNconstituents) ! start out with ordered sequence of constituents
call random_number(rndArray) ! as many rnd numbers as (max) constituents
do j = 1_pInt, myNconstituents - 1_pInt ! loop over constituents ...
r = nint(rndArray(j)*real(myNconstituents-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! ... select one in remaining list
c = randomOrder(r) ! ... call it "c"
randomOrder(r) = randomOrder(j) ! ... and exchange with present position in constituent list
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
do g = 1_pInt, min(dGrains-ipGrain, & ! leftover number of grains at this IP
max(0_pInt, & ! no negative values
nint(real(ip * dGrains * NgrainsOfConstituent(c)) / & ! fraction of grains scaled to this constituent...
real(myNgrains),pInt) - & ! ...minus those already distributed
currentGrainOfConstituent(c)))
ipGrain = ipGrain + 1_pInt ! advance IP grain counter
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt ! advance index of grain population for constituent c
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
enddo; enddo
c = randomOrder(microstructure_Nconstituents(micro)) ! look up constituent remaining after random shuffling
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
do ipGrain = ipGrain + 1_pInt, dGrains ! ensure last constituent fills up to dGrains
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
enddo
enddo
do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
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)
material_EulerAngles(1:3,1_pInt:dGrains,i,e) = material_EulerAngles(1:3,1_pInt:dGrains,1,e)
enddo
enddo
endif activePair
enddo microstructureLoop
enddo homogenizationLoop
deallocate(texture_transformation)
call config_deallocate('material.config/microstructure')

1050
src/math.f90
View File

File diff suppressed because it is too large Load Diff

22
src/mesh/FEM_mech.f90
View File

@ -55,8 +55,7 @@ module FEM_mech
public :: &
FEM_mech_init, &
FEM_mech_solution ,&
FEM_mech_forward, &
FEM_mech_destroy
FEM_mech_forward
contains
!--------------------------------------------------------------------------------------------------
@ -583,6 +582,7 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
end subroutine FEM_mech_formJacobian
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!--------------------------------------------------------------------------------------------------
@ -655,7 +655,6 @@ end subroutine FEM_mech_forward
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: &
worldrank, &
err_struct_tolAbs, &
err_struct_tolRel
use IO, only: &
@ -677,30 +676,13 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
call SNESConvergedDefault(snes_local,PETScIter,xnorm,snorm,fnorm/divTol,reason,dummy,ierr)
CHKERRQ(ierr)
if (terminallyIll) reason = SNES_DIVERGED_FUNCTION_DOMAIN
if (worldrank == 0) then
write(6,'(1/,1x,a,a,i0,a,i0,f0.3)') trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
endif
end subroutine FEM_mech_converged
!--------------------------------------------------------------------------------------------------
!> @brief destroy routine
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_destroy()
implicit none
PetscErrorCode :: ierr
call VecDestroy(solution,ierr); CHKERRQ(ierr)
call VecDestroy(solution_rate,ierr); CHKERRQ(ierr)
call SNESDestroy(mech_snes,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_destroy
end module FEM_mech

259
src/mesh/FEM_utilities.f90
View File

@ -23,7 +23,6 @@ use PETScis
!--------------------------------------------------------------------------------------------------
! grid related information information
real(pReal), public :: wgt !< weighting factor 1/Nelems
real(pReal), public :: wgtDof !< weighting factor 1/Nelems
!--------------------------------------------------------------------------------------------------
! output data
@ -35,33 +34,18 @@ use PETScis
enum, bind(c)
enumerator :: FIELD_UNDEFINED_ID, &
FIELD_MECH_ID, &
FIELD_THERMAL_ID, &
FIELD_DAMAGE_ID, &
FIELD_SOLUTE_ID, &
FIELD_MGTWIN_ID
FIELD_MECH_ID
end enum
enum, bind(c)
enumerator :: COMPONENT_UNDEFINED_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &
COMPONENT_MECH_Z_ID, &
COMPONENT_THERMAL_T_ID, &
COMPONENT_DAMAGE_PHI_ID, &
COMPONENT_SOLUTE_CV_ID, &
COMPONENT_SOLUTE_CVPOT_ID, &
COMPONENT_SOLUTE_CH_ID, &
COMPONENT_SOLUTE_CHPOT_ID, &
COMPONENT_SOLUTE_CVaH_ID, &
COMPONENT_SOLUTE_CVaHPOT_ID, &
COMPONENT_MGTWIN_PHI_ID
COMPONENT_MECH_Z_ID
end enum
!--------------------------------------------------------------------------------------------------
! variables controlling debugging
logical, private :: &
debugGeneral, & !< general debugging of FEM solver
debugRotation, & !< also printing out results in lab frame
debugPETSc !< use some in debug defined options for more verbose PETSc solution
!--------------------------------------------------------------------------------------------------
@ -111,36 +95,26 @@ use PETScis
public :: &
utilities_init, &
utilities_constitutiveResponse, &
utilities_indexBoundaryDofs, &
utilities_projectBCValues, &
utilities_indexActiveSet, &
utilities_destroy, &
FIELD_MECH_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &
COMPONENT_MECH_Z_ID, &
COMPONENT_THERMAL_T_ID
COMPONENT_MECH_Z_ID
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, sets debug flags
!--------------------------------------------------------------------------------------------------
subroutine utilities_init()
subroutine utilities_init
use numerics, only: &
structOrder, &
integrationOrder, &
worldsize, &
worldrank, &
petsc_defaultOptions, &
petsc_options
use debug, only: &
debug_level, &
debug_SPECTRAL, &
debug_LEVELBASIC, &
debug_SPECTRALPETSC,&
debug_SPECTRALROTATION
use debug, only: &
PETSCDEBUG
use math ! must use the whole module for use of FFTW
use mesh, only: &
@ -151,16 +125,12 @@ subroutine utilities_init()
implicit none
character(len=1024) :: petsc_optionsPhysics
integer(pInt) :: dimPlex
PetscInt :: dim
PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
!--------------------------------------------------------------------------------------------------
! set debugging parameters
debugGeneral = iand(debug_level(debug_SPECTRAL),debug_LEVELBASIC) /= 0
debugRotation = iand(debug_level(debug_SPECTRAL),debug_SPECTRALROTATION) /= 0
debugPETSc = iand(debug_level(debug_SPECTRAL),debug_SPECTRALPETSC) /= 0
if(debugPETSc) write(6,'(3(/,a),/)') &
' Initializing PETSc with debug options: ', &
@ -180,7 +150,6 @@ subroutine utilities_init()
wgt = 1.0/real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)
call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRQ(ierr)
end subroutine utilities_init
@ -188,21 +157,13 @@ end subroutine utilities_init
!> @brief calculates constitutive response
!--------------------------------------------------------------------------------------------------
subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
use debug, only: &
debug_reset, &
debug_info
use math, only: &
math_transpose33, &
math_rotate_forward33, &
math_det33
use FEsolving, only: &
restartWrite
use homogenization, only: &
materialpoint_F, &
materialpoint_P, &
materialpoint_stressAndItsTangent
use mesh, only: &
mesh_NcpElems
implicit none
real(pReal), intent(in) :: timeinc !< loading time
@ -213,9 +174,6 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
logical :: &
age
integer(pInt) :: &
j
real(pReal) :: defgradDetMin, defgradDetMax, defgradDet
PetscErrorCode :: ierr
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
@ -227,27 +185,9 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
if (cutBack) then ! restore saved variables
age = .False.
endif
call debug_reset()
!--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report
if(debugGeneral) then
defgradDetMax = -huge(1.0_pReal)
defgradDetMin = +huge(1.0_pReal)
do j = 1_pInt, mesh_NcpElems
defgradDet = math_det33(materialpoint_F(1:3,1:3,1,j))
defgradDetMax = max(defgradDetMax,defgradDet)
defgradDetMin = min(defgradDetMin,defgradDet)
end do
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
flush(6)
endif
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
call debug_info()
restartWrite = .false. ! reset restartWrite status
cutBack = .false. ! reset cutBack status
@ -257,97 +197,6 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
end subroutine utilities_constitutiveResponse
!--------------------------------------------------------------------------------------------------
!> @brief Create index sets of boundary dofs (in local and global numbering)
!--------------------------------------------------------------------------------------------------
subroutine utilities_indexBoundaryDofs(dm_local,nFaceSets,numFields,local2global,section,localIS,globalIS)
implicit none
DM :: dm_local
ISLocalToGlobalMapping :: local2global
PetscSection :: section
PetscInt :: nFaceSets, numFields, nDof
IS, dimension(nFaceSets,numFields) :: localIS, globalIS
PetscInt :: field, faceSet, point, dof, offset
PetscInt :: localSize, storageSize, ISSize
PetscInt, dimension(:) , allocatable :: localIndices
IS :: faceSetIS, BC_IS, dummyIS
PetscInt, dimension(:) , pointer :: pFaceSets, pBCvertex, pBCvertexlc
DMLabel :: BCLabel
PetscErrorCode :: ierr
call DMGetLabel(dm_local,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
call DMPlexLabelComplete(dm_local,BCLabel,ierr); CHKERRQ(ierr)
call PetscSectionGetStorageSize(section,storageSize,ierr); CHKERRQ(ierr)
call DMGetLabelIdIS(dm_local,'Face Sets',faceSetIS,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
allocate(localIndices (storageSize))
do faceSet = 1, nFaceSets
call DMGetStratumSize(dm_local,'Face Sets',pFaceSets(faceSet),ISSize,ierr)
CHKERRQ(ierr)
call DMGetStratumIS(dm_local,'Face Sets',pFaceSets(faceSet),BC_IS,ierr)
CHKERRQ(ierr)
if (ISSize > 0) call ISGetIndicesF90(BC_IS,pBCvertex,ierr)
do field = 1, numFields
localSize = 0
do point = 1, ISSize
call PetscSectionGetFieldDof(section,pBCvertex(point),field-1,nDof,ierr)
CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,pBCvertex(point),field-1,offset,ierr)
CHKERRQ(ierr)
do dof = 1, nDof
localSize = localSize + 1
localIndices(localSize) = offset + dof - 1
enddo
enddo
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
localIS(faceSet,field),ierr)
CHKERRQ(ierr)
call ISLocalToGlobalMappingApplyIS(local2global,localIS(faceSet,field), &
globalIS(faceSet,field),ierr)
CHKERRQ(ierr)
enddo
if (ISSize > 0) call ISRestoreIndicesF90(BC_IS,pBCvertex,ierr)
call ISDestroy(BC_IS,ierr); CHKERRQ(ierr)
enddo
call ISRestoreIndicesF90(faceSetIS,pFaceSets,ierr); CHKERRQ(ierr)
call ISDestroy(faceSetIS,ierr); CHKERRQ(ierr)
do faceSet = 1, nFaceSets; do field = 1, numFields
call ISGetSize(globalIS(faceSet,field),ISSize,ierr); CHKERRQ(ierr)
if (ISSize > 0) then
call ISGetIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
endif
localSize = 0
do point = 1, ISSize
if (pBCvertex(point) >= 0) then
localSize = localSize + 1
localIndices(localSize) = pBCvertexlc(point)
endif
enddo
if (ISSize > 0) then
call ISRestoreIndicesF90(localIS(faceSet,field),pBCvertexlc,ierr); CHKERRQ(ierr)
call ISRestoreIndicesF90(globalIS(faceSet,field),pBCvertex,ierr); CHKERRQ(ierr)
endif
call ISDestroy(globalIS(faceSet,field),ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES, &
globalIS(faceSet,field),ierr)
CHKERRQ(ierr)
if (ISSize > 0) then
call ISDuplicate(localIS(faceSet,field),dummyIS,ierr); CHKERRQ(ierr)
call ISDestroy(localIS(faceSet,field),ierr); CHKERRQ(ierr)
call ISDifference(dummyIS,globalIS(faceSet,field),localIS(faceSet,field),ierr)
CHKERRQ(ierr)
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
endif
enddo; enddo
deallocate(localIndices)
end subroutine utilities_indexBoundaryDofs
!--------------------------------------------------------------------------------------------------
!> @brief Project BC values to local vector
!--------------------------------------------------------------------------------------------------
@ -384,104 +233,4 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
end subroutine utilities_projectBCValues
!--------------------------------------------------------------------------------------------------
!> @brief Create index sets of boundary dofs (in local and global numbering)
!--------------------------------------------------------------------------------------------------
subroutine utilities_indexActiveSet(field,section,x_local,f_local,localIS,globalIS)
use mesh, only: &
geomMesh
implicit none
ISLocalToGlobalMapping :: local2global
PetscSection :: section
Vec :: x_local, f_local
PetscInt :: field
IS :: localIS, globalIS, dummyIS
PetscScalar, dimension(:) , pointer :: x_scal, f_scal
PetscInt :: ISSize
PetscInt :: chart, chartStart, chartEnd, nDof, dof, offset
PetscInt :: localSize
PetscInt, dimension(:) , allocatable :: localIndices
PetscInt, dimension(:) , pointer :: pBCvertex, pBCvertexlc
PetscErrorCode :: ierr
call DMGetLocalToGlobalMapping(geomMesh,local2global,ierr)
CHKERRQ(ierr)
call DMPlexGetChart(geomMesh,chartStart,chartEnd,ierr)
CHKERRQ(ierr)
call VecGetArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
call VecGetArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
localSize = 0
do chart = chartStart, chartEnd-1
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
do dof = offset+1, offset+nDof
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) localSize = localSize + 1
enddo
enddo
allocate(localIndices(localSize))
localSize = 0
do chart = chartStart, chartEnd-1
call PetscSectionGetFieldDof(section,chart,field-1,nDof,ierr); CHKERRQ(ierr)
call PetscSectionGetFieldOffset(section,chart,field-1,offset,ierr); CHKERRQ(ierr)
do dof = offset+1, offset+nDof
if (((x_scal(dof) < 1.0e-8) .and. (f_scal(dof) > 0.0)) .or. &
((x_scal(dof) > 1.0 - 1.0e-8) .and. (f_scal(dof) < 0.0))) then
localSize = localSize + 1
localIndices(localSize) = dof-1
endif
enddo
enddo
call VecRestoreArrayF90(x_local,x_scal,ierr); CHKERRQ(ierr)
call VecRestoreArrayF90(f_local,f_scal,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,localIS,ierr)
CHKERRQ(ierr)
call ISLocalToGlobalMappingApplyIS(local2global,localIS,globalIS,ierr)
CHKERRQ(ierr)
call ISGetSize(globalIS,ISSize,ierr); CHKERRQ(ierr)
if (ISSize > 0) then
call ISGetIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
call ISGetIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
endif
localSize = 0
do chart = 1, ISSize
if (pBCvertex(chart) >= 0) then
localSize = localSize + 1
localIndices(localSize) = pBCvertexlc(chart)
endif
enddo
if (ISSize > 0) then
call ISRestoreIndicesF90(localIS,pBCvertexlc,ierr); CHKERRQ(ierr)
call ISRestoreIndicesF90(globalIS,pBCvertex,ierr); CHKERRQ(ierr)
endif
call ISDestroy(globalIS,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_SELF,localSize,localIndices,PETSC_COPY_VALUES,globalIS,ierr)
CHKERRQ(ierr)
if (ISSize > 0) then
call ISDuplicate(localIS,dummyIS,ierr); CHKERRQ(ierr)
call ISDestroy(localIS,ierr); CHKERRQ(ierr)
call ISDifference(dummyIS,globalIS,localIS,ierr)
CHKERRQ(ierr)
call ISDestroy(dummyIS,ierr); CHKERRQ(ierr)
endif
end subroutine utilities_indexActiveSet
!--------------------------------------------------------------------------------------------------
!> @brief cleans up
!--------------------------------------------------------------------------------------------------
subroutine utilities_destroy()
!implicit none
!PetscInt :: homog, cryst, grain, phase
!PetscErrorCode :: ierr
!call VecDestroy(coordinatesVec,ierr); CHKERRQ(ierr)
!call PetscViewerDestroy(resUnit, ierr); CHKERRQ(ierr)
end subroutine utilities_destroy
end module FEM_utilities

14
src/mesh_abaqus.f90
View File

@ -884,7 +884,7 @@ end subroutine mesh_abaqus_count_cpElements
!--------------------------------------------------------------------------------------------------
subroutine mesh_abaqus_map_elements(fileUnit)
use math, only: math_qsort
use math, only: math_sort
use IO, only: IO_lc, &
IO_stringValue, &
IO_stringPos, &
@ -935,7 +935,7 @@ subroutine mesh_abaqus_map_elements(fileUnit)
endselect
enddo
call math_qsort(mesh_mapFEtoCPelem,1_pInt,int(size(mesh_mapFEtoCPelem,2_pInt),pInt)) ! should be mesh_NcpElems
call math_sort(mesh_mapFEtoCPelem,1_pInt,int(size(mesh_mapFEtoCPelem,2_pInt),pInt)) ! should be mesh_NcpElems
if (int(size(mesh_mapFEtoCPelem),pInt) < 2_pInt) call IO_error(error_ID=907_pInt)
@ -948,7 +948,7 @@ end subroutine mesh_abaqus_map_elements
!--------------------------------------------------------------------------------------------------
subroutine mesh_abaqus_map_nodes(fileUnit)
use math, only: math_qsort
use math, only: math_sort
use IO, only: IO_lc, &
IO_stringValue, &
IO_stringPos, &
@ -999,7 +999,7 @@ subroutine mesh_abaqus_map_nodes(fileUnit)
endif
enddo
call math_qsort(mesh_mapFEtoCPnode,1_pInt,int(size(mesh_mapFEtoCPnode,2_pInt),pInt))
call math_sort(mesh_mapFEtoCPnode,1_pInt,int(size(mesh_mapFEtoCPnode,2_pInt),pInt))
if (int(size(mesh_mapFEtoCPnode),pInt) == 0_pInt) call IO_error(error_ID=908_pInt)
@ -1541,7 +1541,7 @@ pure function mesh_cellCenterCoordinates(ip,el)
!--------------------------------------------------------------------------------------------------
subroutine mesh_build_ipAreas
use math, only: &
math_crossproduct
math_cross
implicit none
integer(pInt) :: e,t,g,c,i,f,n,m
@ -1576,7 +1576,7 @@ subroutine mesh_build_ipAreas
do f = 1_pInt,FE_NipNeighbors(c) ! loop over cell faces
forall(n = 1_pInt:FE_NcellnodesPerCellface(c)) &
nodePos(1:3,n) = mesh_cellnode(1:3,mesh_cell(FE_cellface(n,f,c),i,e))
normal = math_crossproduct(nodePos(1:3,2) - nodePos(1:3,1), &
normal = math_cross(nodePos(1:3,2) - nodePos(1:3,1), &
nodePos(1:3,3) - nodePos(1:3,1))
mesh_ipArea(f,i,e) = norm2(normal)
mesh_ipAreaNormal(1:3,f,i,e) = normal / norm2(normal) ! ensure unit length of area normal
@ -1595,7 +1595,7 @@ subroutine mesh_build_ipAreas
nodePos(1:3,n) = mesh_cellnode(1:3,mesh_cell(FE_cellface(n,f,c),i,e))
forall(n = 1_pInt:FE_NcellnodesPerCellface(c)) &
normals(1:3,n) = 0.5_pReal &
* math_crossproduct(nodePos(1:3,1+mod(n ,m)) - nodePos(1:3,n), &
* math_cross(nodePos(1:3,1+mod(n ,m)) - nodePos(1:3,n), &
nodePos(1:3,1+mod(n+1,m)) - nodePos(1:3,n))
normal = 0.5_pReal * sum(normals,2)
mesh_ipArea(f,i,e) = norm2(normal)

14
src/mesh_marc.f90
View File

@ -640,7 +640,7 @@ subroutine mesh_marc_map_elementSets(nameElemSet,mapElemSet,fileUnit)
!--------------------------------------------------------------------------------------------------
subroutine mesh_marc_map_elements(tableStyle,nameElemSet,mapElemSet,nElems,fileUnit)
use math, only: math_qsort
use math, only: math_sort
use IO, only: IO_lc, &
IO_intValue, &
IO_stringValue, &
@ -701,7 +701,7 @@ subroutine mesh_marc_map_elements(tableStyle,nameElemSet,mapElemSet,nElems,fileU
mesh_mapFEtoCPelem(2,cpElem) = cpElem
enddo
call math_qsort(mesh_mapFEtoCPelem,1_pInt,int(size(mesh_mapFEtoCPelem,2_pInt),pInt)) ! should be mesh_NcpElems
call math_sort(mesh_mapFEtoCPelem,1_pInt,int(size(mesh_mapFEtoCPelem,2_pInt),pInt)) ! should be mesh_NcpElems
end subroutine mesh_marc_map_elements
@ -711,7 +711,7 @@ end subroutine mesh_marc_map_elements
!--------------------------------------------------------------------------------------------------
subroutine mesh_marc_map_nodes(nNodes,fileUnit)
use math, only: math_qsort
use math, only: math_sort
use IO, only: IO_lc, &
IO_stringValue, &
IO_stringPos, &
@ -743,7 +743,7 @@ subroutine mesh_marc_map_nodes(nNodes,fileUnit)
endif
enddo
650 call math_qsort(mesh_mapFEtoCPnode,1_pInt,int(size(mesh_mapFEtoCPnode,2_pInt),pInt))
650 call math_sort(mesh_mapFEtoCPnode,1_pInt,int(size(mesh_mapFEtoCPnode,2_pInt),pInt))
end subroutine mesh_marc_map_nodes
@ -1230,7 +1230,7 @@ pure function mesh_cellCenterCoordinates(ip,el)
!--------------------------------------------------------------------------------------------------
subroutine mesh_build_ipAreas
use math, only: &
math_crossproduct
math_cross
implicit none
integer(pInt) :: e,t,g,c,i,f,n,m
@ -1265,7 +1265,7 @@ subroutine mesh_build_ipAreas
do f = 1_pInt,FE_NipNeighbors(c) ! loop over cell faces
forall(n = 1_pInt:FE_NcellnodesPerCellface(c)) &
nodePos(1:3,n) = mesh_cellnode(1:3,mesh_cell(FE_cellface(n,f,c),i,e))
normal = math_crossproduct(nodePos(1:3,2) - nodePos(1:3,1), &
normal = math_cross(nodePos(1:3,2) - nodePos(1:3,1), &
nodePos(1:3,3) - nodePos(1:3,1))
mesh_ipArea(f,i,e) = norm2(normal)
mesh_ipAreaNormal(1:3,f,i,e) = normal / norm2(normal) ! ensure unit length of area normal
@ -1284,7 +1284,7 @@ subroutine mesh_build_ipAreas
nodePos(1:3,n) = mesh_cellnode(1:3,mesh_cell(FE_cellface(n,f,c),i,e))
forall(n = 1_pInt:FE_NcellnodesPerCellface(c)) &
normals(1:3,n) = 0.5_pReal &
* math_crossproduct(nodePos(1:3,1+mod(n ,m)) - nodePos(1:3,n), &
* math_cross(nodePos(1:3,1+mod(n ,m)) - nodePos(1:3,n), &
nodePos(1:3,1+mod(n+1,m)) - nodePos(1:3,n))
normal = 0.5_pReal * sum(normals,2)
mesh_ipArea(f,i,e) = norm2(normal)

11
src/prec.f90
View File

@ -7,11 +7,9 @@
!> @brief setting precision for real and int type
!--------------------------------------------------------------------------------------------------
module prec
use, intrinsic :: IEEE_arithmetic, only:&
IEEE_selected_real_kind
use, intrinsic :: IEEE_arithmetic
implicit none
private
! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds
#ifdef Abaqus
integer, parameter, public :: pReal = selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
@ -102,7 +100,6 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine prec_init
implicit none
integer, allocatable, dimension(:) :: realloc_lhs_test
external :: &
@ -131,7 +128,6 @@ end subroutine prec_init
!--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol)
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal) :: eps
@ -155,7 +151,6 @@ end function dEq
!--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq(a,b,tol)
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal) :: eps
@ -179,7 +174,6 @@ end function dNeq
!--------------------------------------------------------------------------------------------------
logical elemental pure function dEq0(a,tol)
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
real(pReal) :: eps
@ -203,7 +197,6 @@ end function dEq0
!--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq0(a,tol)
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
real(pReal) :: eps
@ -228,7 +221,6 @@ end function dNeq0
!--------------------------------------------------------------------------------------------------
logical elemental pure function cEq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal) :: eps
@ -253,7 +245,6 @@ end function cEq
!--------------------------------------------------------------------------------------------------
logical elemental pure function cNeq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal) :: eps

5
src/source_damage_anisoBrittle.f90
View File

@ -91,8 +91,6 @@ subroutine source_damage_anisoBrittle_init
lattice_SchmidMatrix_cleavage, &
lattice_maxNcleavageFamily
implicit none
integer(pInt) :: Ninstance,phase,instance,source,sourceOffset
integer(pInt) :: NofMyPhase,p ,i
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
@ -219,7 +217,6 @@ subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
lattice_maxNcleavageFamily, &
lattice_NcleavageSystem
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -279,7 +276,6 @@ subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalph
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent
@ -307,7 +303,6 @@ function source_damage_anisoBrittle_postResults(phase, constituent)
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent

4
src/source_damage_anisoDuctile.f90
View File

@ -82,7 +82,6 @@ subroutine source_damage_anisoDuctile_init
config_phase
implicit none
integer(pInt) :: Ninstance,phase,instance,source,sourceOffset
integer(pInt) :: NofMyPhase,p ,i
@ -194,7 +193,6 @@ subroutine source_damage_anisoDuctile_dotState(ipc, ip, el)
damage, &
damageMapping
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -231,7 +229,6 @@ subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalph
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent
@ -259,7 +256,6 @@ function source_damage_anisoDuctile_postResults(phase, constituent)
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent

4
src/source_damage_isoBrittle.f90
View File

@ -74,7 +74,6 @@ subroutine source_damage_isoBrittle_init
config_phase, &
material_Nphase
implicit none
integer(pInt) :: Ninstance,phase,instance,source,sourceOffset
integer(pInt) :: NofMyPhase,p,i
@ -176,7 +175,6 @@ subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
math_sym33to6, &
math_I3
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -221,7 +219,6 @@ subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiD
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent
@ -251,7 +248,6 @@ function source_damage_isoBrittle_postResults(phase, constituent)
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent

4
src/source_damage_isoDuctile.f90
View File

@ -74,7 +74,6 @@ subroutine source_damage_isoDuctile_init
config_phase, &
material_Nphase
implicit none
integer(pInt) :: Ninstance,phase,instance,source,sourceOffset
integer(pInt) :: NofMyPhase,p,i
@ -177,7 +176,6 @@ subroutine source_damage_isoDuctile_dotState(ipc, ip, el)
damage, &
damageMapping
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
@ -206,7 +204,6 @@ subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiD
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent
@ -234,7 +231,6 @@ function source_damage_isoDuctile_postResults(phase, constituent)
use material, only: &
sourceState
implicit none
integer(pInt), intent(in) :: &
phase, &
constituent

2
src/source_thermal_dissipation.f90
View File

@ -56,7 +56,6 @@ subroutine source_thermal_dissipation_init
config_phase, &
material_Nphase
implicit none
integer :: Ninstance,instance,source,sourceOffset
integer :: NofMyPhase,p
@ -103,7 +102,6 @@ end subroutine source_thermal_dissipation_init
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar, Lp, phase)
implicit none
integer, intent(in) :: &
phase
real(pReal), intent(in), dimension(3,3) :: &

3
src/source_thermal_externalheat.f90
View File

@ -63,7 +63,6 @@ subroutine source_thermal_externalheat_init
config_phase, &
material_Nphase
implicit none
integer :: maxNinstance,instance,source,sourceOffset,NofMyPhase,p
@ -120,7 +119,6 @@ subroutine source_thermal_externalheat_dotState(phase, of)
use material, only: &
sourceState
implicit none
integer, intent(in) :: &
phase, &
of
@ -140,7 +138,6 @@ subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phas
use material, only: &
sourceState
implicit none
integer, intent(in) :: &
phase, &
of

12
src/system_routines.f90
View File

@ -3,13 +3,9 @@
!> @brief provides wrappers to C routines
!--------------------------------------------------------------------------------------------------
module system_routines
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR, &
C_NULL_CHAR
use, intrinsic :: ISO_C_Binding
implicit none
private
public :: &
signalterm_C, &
@ -81,7 +77,6 @@ contains
!--------------------------------------------------------------------------------------------------
logical function isDirectory(path)
implicit none
character(len=*), intent(in) :: path
character(kind=C_CHAR), dimension(1024) :: strFixedLength ! C string as array
integer :: i
@ -100,7 +95,6 @@ end function isDirectory
!--------------------------------------------------------------------------------------------------
character(len=1024) function getCWD()
implicit none
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
integer(C_INT) :: stat
integer :: i
@ -126,7 +120,7 @@ end function getCWD
!> @brief gets the current host name
!--------------------------------------------------------------------------------------------------
character(len=1024) function getHostName()
implicit none
character(kind=C_CHAR), dimension(1024) :: charArray ! C string is an array
integer(C_INT) :: stat
integer :: i
@ -152,7 +146,7 @@ end function getHostName
!> @brief changes the current working directory
!--------------------------------------------------------------------------------------------------
logical function setCWD(path)
implicit none
character(len=*), intent(in) :: path
character(kind=C_CHAR), dimension(1024) :: strFixedLength ! C string is an array
integer :: i

6
src/thermal_adiabatic.f90
View File

@ -57,7 +57,6 @@ subroutine thermal_adiabatic_init
use config, only: &
config_homogenization
implicit none
integer :: maxNinstance,section,instance,i,sizeState,NofMyHomog
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
character(len=65536), dimension(:), allocatable :: outputs
@ -124,7 +123,6 @@ function thermal_adiabatic_updateState(subdt, ip, el)
temperatureRate, &
thermalMapping
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -181,7 +179,6 @@ subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
crystallite_S, &
crystallite_Lp
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -246,7 +243,6 @@ function thermal_adiabatic_getSpecificHeat(ip,el)
use mesh, only: &
mesh_element
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -282,7 +278,6 @@ function thermal_adiabatic_getMassDensity(ip,el)
use mesh, only: &
mesh_element
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -312,7 +307,6 @@ function thermal_adiabatic_postResults(homog,instance,of) result(postResults)
use material, only: &
temperature
implicit none
integer, intent(in) :: &
homog, &
instance, &

7
src/thermal_conduction.f90
View File

@ -58,7 +58,6 @@ subroutine thermal_conduction_init
use config, only: &
config_homogenization
implicit none
integer :: maxNinstance,section,instance,i
integer :: sizeState
integer :: NofMyHomog
@ -135,7 +134,6 @@ subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
crystallite_S, &
crystallite_Lp
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -205,7 +203,6 @@ function thermal_conduction_getConductivity33(ip,el)
use crystallite, only: &
crystallite_push33ToRef
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -239,7 +236,6 @@ function thermal_conduction_getSpecificHeat(ip,el)
use mesh, only: &
mesh_element
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -273,7 +269,6 @@ function thermal_conduction_getMassDensity(ip,el)
use mesh, only: &
mesh_element
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -306,7 +301,6 @@ subroutine thermal_conduction_putTemperatureAndItsRate(T,Tdot,ip,el)
temperatureRate, &
thermalMapping
implicit none
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -332,7 +326,6 @@ function thermal_conduction_postResults(homog,instance,of) result(postResults)
use material, only: &
temperature
implicit none
integer, intent(in) :: &
homog, &
instance, &

1
src/thermal_isothermal.f90
View File

@ -22,7 +22,6 @@ subroutine thermal_isothermal_init()
material_Nhomogenization
use material
implicit none
integer :: &
homog, &
NofMyHomog