Merge remote-tracking branch 'remotes/origin/MiscImprovements' into development
This commit is contained in:
Franz Roters
commit
303ab40793
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@ -104,7 +104,7 @@ checkout:
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- release
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###################################################################################################
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Pytest:
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Pytest_python:
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stage: python
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script:
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- cd $DAMASKROOT/python
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@ -385,6 +385,15 @@ Phenopowerlaw_singleSlip:
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- master
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- release
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Pytest_grid:
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stage: grid
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script:
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- cd pytest
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- pytest
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except:
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- master
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- release
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||||
###################################################################################################
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Marc_compileIfort:
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stage: compileMarc
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|
|
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2
PRIVATE
2
PRIVATE
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|
@ -1 +1 @@
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Subproject commit 6db5f4666fc651b4de3b44ceaed3f2b848170ac9
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Subproject commit 9573ce7bd2c1a7188c1aac5b83aa76d480c2bdb0
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@ -1,49 +0,0 @@
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[Aluminum]
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elasticity hooke
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plasticity phenopowerlaw
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(output) resistance_slip
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(output) shearrate_slip
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(output) resolvedstress_slip
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(output) accumulated_shear_slip
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(output) resistance_twin
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(output) shearrate_twin
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(output) resolvedstress_twin
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(output) accumulated_shear_twin
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lattice_structure fcc
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Nslip 12 # per family
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Ntwin 0 # per family
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c11 106.75e9
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c12 60.41e9
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c44 28.34e9
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gdot0_slip 0.001
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n_slip 20
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tau0_slip 31e6 # per family
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tausat_slip 63e6 # per family
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a_slip 2.25
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gdot0_twin 0.001
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n_twin 20
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tau0_twin 31e6 # per family
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h0_slipslip 75e6
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interaction_slipslip 1 1 1.4 1.4 1.4 1.4
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atol_resistance 1
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(stiffness_degradation) damage
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(stiffness_degradation) porosity
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{./Phase_Damage.config}
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{./Phase_Thermal.config}
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{./Phase_Vacancy.config}
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{./Phase_Porosity.config}
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{./Phase_Hydrogen.config}
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{./Source_Damage_IsoBrittle.config}
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{./Source_Thermal_Dissipation.config}
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{./Source_Vacancy_PhenoPlasticity.config}
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{./Source_Vacancy_Irradiation.config}
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{./Kinematics_Thermal_Expansion.config}
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{./Kinematics_Vacancy_Strain.config}
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{./Kinematics_Hydrogen_Strain.config}
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@ -83,7 +83,7 @@ for name in filenames:
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# ------------------------------------------ assemble header ---------------------------------------
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randomSeed = int(os.urandom(4).encode('hex'), 16) if options.randomSeed is None else options.randomSeed # random seed per file
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randomSeed = int(os.urandom(4).hex(), 16) if options.randomSeed is None else options.randomSeed # random seed per file
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np.random.seed(randomSeed)
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|
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table.info_append([scriptID + '\t' + ' '.join(sys.argv[1:]),
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@ -1,11 +1,9 @@
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#!/usr/bin/env python3
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# -*- coding: UTF-8 no BOM -*-
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import threading,time,os,sys,random
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import numpy as np
|
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from optparse import OptionParser
|
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from io import StringIO
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import binascii
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import damask
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scriptName = os.path.splitext(os.path.basename(__file__))[0]
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@ -16,9 +14,10 @@ currentSeedsName = None
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#---------------------------------------------------------------------------------------------------
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class myThread (threading.Thread):
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"""perturbes seed in seed file, performes Voronoi tessellation, evaluates, and updates best match"""
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"""Perturb seed in seed file, performes Voronoi tessellation, evaluates, and updates best match."""
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|
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def __init__(self, threadID):
|
||||
"""Threading class with thread ID."""
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threading.Thread.__init__(self)
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self.threadID = threadID
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|
|
@ -215,7 +214,7 @@ options = parser.parse_args()[0]
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damask.util.report(scriptName,options.seedFile)
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if options.randomSeed is None:
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options.randomSeed = int(binascii.hexlify(os.urandom(4)),16)
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options.randomSeed = int(os.urandom(4).hex(),16)
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damask.util.croak(options.randomSeed)
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delta = (options.scale/options.grid[0],options.scale/options.grid[1],options.scale/options.grid[2])
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baseFile=os.path.splitext(os.path.basename(options.seedFile))[0]
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|
|
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|
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@ -400,6 +400,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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msg = 'number of values does not match'
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case (147)
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msg = 'not supported anymore'
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||||
case (148)
|
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msg = 'Nconstituents mismatch between homogenization and microstructure'
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|
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!--------------------------------------------------------------------------------------------------
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! material error messages and related messages in mesh
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|
|
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|
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@ -729,7 +729,7 @@ subroutine crystallite_results
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real(pReal), allocatable, dimension(:,:,:) :: select_tensors
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integer :: e,i,c,j
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allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains*discretization_nIP))
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allocate(select_tensors(3,3,count(material_phaseAt==instance)*discretization_nIP))
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j=0
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do e = 1, size(material_phaseAt,2)
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|
|
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@ -21,10 +21,10 @@ module grid_mech_FEM
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use discretization
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use mesh_grid
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use debug
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implicit none
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private
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|
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!--------------------------------------------------------------------------------------------------
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! derived types
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type(tSolutionParams), private :: params
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@ -52,20 +52,20 @@ module grid_mech_FEM
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F_aim_lastIter = math_I3, &
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F_aim_lastInc = math_I3, & !< previous average deformation gradient
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P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
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|
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character(len=pStringLen), private :: incInfo !< time and increment information
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||||
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real(pReal), private, dimension(3,3,3,3) :: &
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvg = 0.0_pReal, & !< current volume average stiffness
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C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
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S = 0.0_pReal !< current compliance (filled up with zeros)
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||||
|
||||
|
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real(pReal), private :: &
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err_BC !< deviation from stress BC
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|
||||
|
||||
integer, private :: &
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||||
totalIter = 0 !< total iteration in current increment
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||||
|
||||
|
||||
public :: &
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grid_mech_FEM_init, &
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grid_mech_FEM_solution, &
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|
|
@ -79,7 +79,7 @@ contains
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|||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
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!--------------------------------------------------------------------------------------------------
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||||
subroutine grid_mech_FEM_init
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||||
|
||||
|
||||
real(pReal) :: HGCoeff = 0.0e-2_pReal
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
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||||
real(pReal), dimension(3,3) :: &
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||||
|
|
@ -99,9 +99,9 @@ subroutine grid_mech_FEM_init
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|||
real(pReal), dimension(3,3,3,3) :: devNull
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||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
u_current,u_lastInc
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||||
|
||||
|
||||
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
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|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set default and user defined options for PETSc
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
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@ -115,11 +115,11 @@ subroutine grid_mech_FEM_init
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allocate(F (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate(P_current (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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allocate(F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
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|
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!--------------------------------------------------------------------------------------------------
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! initialize solver specific parts of PETSc
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call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
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call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
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call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
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localK = 0
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localK(worldrank) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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@ -141,12 +141,12 @@ subroutine grid_mech_FEM_init
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call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr)
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call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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CHKERRQ(ierr)
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call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
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CHKERRQ(ierr)
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call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
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call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
|
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call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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|
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!--------------------------------------------------------------------------------------------------
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||||
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@ -156,15 +156,15 @@ subroutine grid_mech_FEM_init
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call VecSet(solution_rate ,0.0_pReal,ierr);CHKERRQ(ierr)
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call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
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call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
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||||
|
||||
|
||||
call DMDAGetCorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent
|
||||
CHKERRQ(ierr)
|
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CHKERRQ(ierr)
|
||||
xend = xstart+xend-1
|
||||
yend = ystart+yend-1
|
||||
zend = zstart+zend-1
|
||||
delta = geomSize/real(grid,pReal) ! grid spacing
|
||||
detJ = product(delta) ! cell volume
|
||||
|
||||
|
||||
BMat = reshape(real([-1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), &
|
||||
1.0_pReal/delta(1),-1.0_pReal/delta(2),-1.0_pReal/delta(3), &
|
||||
-1.0_pReal/delta(1), 1.0_pReal/delta(2),-1.0_pReal/delta(3), &
|
||||
|
|
@ -173,7 +173,7 @@ subroutine grid_mech_FEM_init
|
|||
1.0_pReal/delta(1),-1.0_pReal/delta(2), 1.0_pReal/delta(3), &
|
||||
-1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3), &
|
||||
1.0_pReal/delta(1), 1.0_pReal/delta(2), 1.0_pReal/delta(3)],pReal), [3,8])/4.0_pReal ! shape function derivative matrix
|
||||
|
||||
|
||||
HGMat = matmul(transpose(HGcomp),HGcomp) &
|
||||
* HGCoeff*(delta(1)*delta(2) + delta(2)*delta(3) + delta(3)*delta(1))/16.0_pReal ! hourglass stabilization matrix
|
||||
|
||||
|
|
@ -181,11 +181,11 @@ subroutine grid_mech_FEM_init
|
|||
! init fields
|
||||
restartRead: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
|
||||
call HDF5_read(groupHandle,F_aim, 'F_aim')
|
||||
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
|
||||
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
|
||||
|
|
@ -193,7 +193,7 @@ subroutine grid_mech_FEM_init
|
|||
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
|
||||
call HDF5_read(groupHandle,u_current, 'u')
|
||||
call HDF5_read(groupHandle,u_lastInc, 'u_lastInc')
|
||||
|
||||
|
||||
elseif (interface_restartInc == 0) then restartRead
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
|
||||
|
|
@ -207,12 +207,12 @@ subroutine grid_mech_FEM_init
|
|||
CHKERRQ(ierr)
|
||||
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
|
||||
restartRead2: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
|
||||
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
|
||||
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
|
||||
|
||||
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
|
|
@ -243,14 +243,14 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
|
|||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide available data
|
||||
! set module wide available data
|
||||
params%stress_mask = stress_BC%maskFloat
|
||||
params%stress_BC = stress_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
|
|
@ -258,13 +258,13 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
|
|||
params%timeincOld = timeinc_old
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
! solve BVP
|
||||
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr);CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(mech_snes,reason,ierr);CHKERRQ(ierr)
|
||||
|
||||
|
||||
solution%converged = reason > 0
|
||||
solution%iterationsNeeded = totalIter
|
||||
solution%termIll = terminallyIll
|
||||
|
|
@ -296,15 +296,15 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
|
|||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
u_current,u_lastInc
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc
|
||||
else
|
||||
C_volAvgLastInc = C_volAvg
|
||||
|
||||
|
||||
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
|
|
@ -329,10 +329,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
|
|||
call VecSet(solution_rate,0.0_pReal,ierr); CHKERRQ(ierr)
|
||||
endif
|
||||
call VecCopy(solution_current,solution_lastInc,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
F_lastInc = F
|
||||
|
||||
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
|
||||
|
||||
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -365,12 +365,12 @@ subroutine grid_mech_FEM_restartWrite
|
|||
integer(HID_T) :: fileHandle, groupHandle
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
|
||||
|
||||
write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
|
||||
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
|
@ -388,7 +388,7 @@ subroutine grid_mech_FEM_restartWrite
|
|||
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
|
||||
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr);CHKERRQ(ierr)
|
||||
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr);CHKERRQ(ierr)
|
||||
|
||||
|
|
@ -405,7 +405,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
|
|||
PetscReal, intent(in) :: &
|
||||
devNull1, &
|
||||
devNull2, &
|
||||
fnorm
|
||||
fnorm
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
|
|
@ -421,7 +421,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
|
|||
if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then
|
||||
reason = -1
|
||||
|
|
@ -435,10 +435,10 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
|
|||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
|
||||
end subroutine converged
|
||||
|
||||
|
||||
|
|
@ -475,7 +475,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
|
|
@ -491,7 +491,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk)
|
||||
enddo; enddo; enddo
|
||||
ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1
|
||||
F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotTensor2(F_aim,active=.true.) + transpose(matmul(BMat,x_elem))
|
||||
F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotate(F_aim,active=.true.) + transpose(matmul(BMat,x_elem))
|
||||
enddo; enddo; enddo
|
||||
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr)
|
||||
|
||||
|
|
@ -501,7 +501,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
P_av,C_volAvg,devNull, &
|
||||
F,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim_lastIter = F_aim
|
||||
|
|
@ -535,24 +535,24 @@ subroutine formResidual(da_local,x_local, &
|
|||
enddo; enddo; enddo
|
||||
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr)
|
||||
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! applying boundary conditions
|
||||
call DMDAVecGetArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
||||
if (zstart == 0) then
|
||||
f_scal(0:2,xstart,ystart,zstart) = 0.0
|
||||
f_scal(0:2,xend+1,ystart,zstart) = 0.0
|
||||
f_scal(0:2,xstart,yend+1,zstart) = 0.0
|
||||
f_scal(0:2,xend+1,yend+1,zstart) = 0.0
|
||||
f_scal(0:2,xstart,ystart,zstart) = 0.0
|
||||
f_scal(0:2,xend+1,ystart,zstart) = 0.0
|
||||
f_scal(0:2,xstart,yend+1,zstart) = 0.0
|
||||
f_scal(0:2,xend+1,yend+1,zstart) = 0.0
|
||||
endif
|
||||
if (zend + 1 == grid(3)) then
|
||||
f_scal(0:2,xstart,ystart,zend+1) = 0.0
|
||||
f_scal(0:2,xend+1,ystart,zend+1) = 0.0
|
||||
f_scal(0:2,xstart,yend+1,zend+1) = 0.0
|
||||
f_scal(0:2,xend+1,yend+1,zend+1) = 0.0
|
||||
f_scal(0:2,xstart,ystart,zend+1) = 0.0
|
||||
f_scal(0:2,xend+1,ystart,zend+1) = 0.0
|
||||
f_scal(0:2,xstart,yend+1,zend+1) = 0.0
|
||||
f_scal(0:2,xend+1,yend+1,zend+1) = 0.0
|
||||
endif
|
||||
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
||||
|
||||
call DMDAVecRestoreArrayF90(da_local,f_local,f_scal,ierr);CHKERRQ(ierr)
|
||||
|
||||
end subroutine formResidual
|
||||
|
||||
|
||||
|
|
@ -574,7 +574,7 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
|
|||
PetscObject :: dummy
|
||||
MatNullSpace :: matnull
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
|
||||
BMatFull = 0.0
|
||||
BMatFull(1:3,1 :8 ) = BMat
|
||||
BMatFull(4:6,9 :16) = BMat
|
||||
|
|
@ -623,7 +623,7 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
|
|||
call MatAssemblyEnd(Jac,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
|
||||
call MatAssemblyBegin(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
|
||||
call MatAssemblyEnd(Jac_pre,MAT_FINAL_ASSEMBLY,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! applying boundary conditions
|
||||
diag = (C_volAvg(1,1,1,1)/delta(1)**2.0_pReal + &
|
||||
|
|
|
|||
|
|
@ -28,11 +28,11 @@ module grid_mech_spectral_basic
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
|
||||
|
||||
type, private :: tNumerics
|
||||
logical :: update_gamma !< update gamma operator with current stiffness
|
||||
end type tNumerics
|
||||
|
||||
|
||||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -55,21 +55,21 @@ module grid_mech_spectral_basic
|
|||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
|
||||
character(len=pStringLen), private :: incInfo !< time and increment information
|
||||
character(len=pStringLen), private :: incInfo !< time and increment information
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_div !< RMS of div of P
|
||||
|
||||
|
||||
integer, private :: &
|
||||
totalIter = 0 !< total iteration in current increment
|
||||
|
||||
|
||||
public :: &
|
||||
grid_mech_spectral_basic_init, &
|
||||
grid_mech_spectral_basic_solution, &
|
||||
|
|
@ -83,27 +83,27 @@ contains
|
|||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_spectral_basic_init
|
||||
|
||||
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
F ! pointer to solution data
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
integer :: fileUnit
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
||||
|
||||
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -117,11 +117,11 @@ subroutine grid_mech_spectral_basic_init
|
|||
! allocate global fields
|
||||
allocate (F_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
|
@ -139,45 +139,45 @@ subroutine grid_mech_spectral_basic_init
|
|||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||
|
||||
|
||||
restartRead: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
|
||||
call HDF5_read(groupHandle,F_aim, 'F_aim')
|
||||
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
|
||||
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
|
||||
call HDF5_read(groupHandle,F, 'F')
|
||||
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
|
||||
|
||||
|
||||
elseif (interface_restartInc == 0) then restartRead
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
endif restartRead
|
||||
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal) ! time increment
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
|
||||
|
||||
|
||||
restartRead2: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
|
||||
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
|
||||
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
|
||||
|
||||
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
|
|
@ -197,7 +197,7 @@ end subroutine grid_mech_spectral_basic_init
|
|||
!> @brief solution for the basic scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
character(len=*), intent(in) :: &
|
||||
|
|
@ -215,7 +215,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
|
|||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -224,7 +224,7 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
|
|||
if(num%update_gamma) call utilities_updateGamma(C_minMaxAvg)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide available data
|
||||
! set module wide available data
|
||||
params%stress_mask = stress_BC%maskFloat
|
||||
params%stress_BC = stress_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
|
|
@ -232,13 +232,13 @@ function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_
|
|||
params%timeincOld = timeinc_old
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
! solve BVP
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
solution%converged = reason > 0
|
||||
solution%iterationsNeeded = totalIter
|
||||
solution%termIll = terminallyIll
|
||||
|
|
@ -271,14 +271,14 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
|
|||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc
|
||||
C_minMaxAvg = C_minMaxAvgLastInc
|
||||
else
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
|
||||
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
|
||||
F_aim_lastInc = F_aim
|
||||
|
||||
|
|
@ -297,9 +297,9 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
|
|||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid3])
|
||||
|
||||
|
||||
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
|
||||
endif
|
||||
|
||||
|
|
@ -307,9 +307,9 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
rotation_BC%rotTensor2(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
|
||||
rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
end subroutine grid_mech_spectral_basic_forward
|
||||
|
||||
|
||||
|
|
@ -341,11 +341,11 @@ subroutine grid_mech_spectral_basic_restartWrite
|
|||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
|
||||
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
||||
|
||||
call HDF5_write(groupHandle,F_aim, 'F_aim')
|
||||
call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc')
|
||||
call HDF5_write(groupHandle,F_aimDot, 'F_aimDot')
|
||||
|
|
@ -358,7 +358,7 @@ subroutine grid_mech_spectral_basic_restartWrite
|
|||
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
|
||||
if (num%update_gamma) call utilities_saveReferenceStiffness
|
||||
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -376,7 +376,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
PetscReal, intent(in) :: &
|
||||
devNull1, &
|
||||
devNull2, &
|
||||
devNull3
|
||||
devNull3
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
|
|
@ -390,7 +390,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then
|
||||
reason = -1
|
||||
|
|
@ -404,10 +404,10 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
flush(6)
|
||||
|
||||
end subroutine converged
|
||||
|
||||
|
||||
|
|
@ -441,7 +441,7 @@ subroutine formResidual(in, F, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
|
|
@ -453,7 +453,7 @@ subroutine formResidual(in, F, &
|
|||
P_av,C_volAvg,C_minMaxAvg, &
|
||||
F,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||
|
|
@ -466,9 +466,9 @@ subroutine formResidual(in, F, &
|
|||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
|
||||
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
|
||||
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||||
|
|
|
|||
|
|
@ -22,20 +22,20 @@ module grid_mech_spectral_polarisation
|
|||
use homogenization
|
||||
use mesh_grid
|
||||
use debug
|
||||
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
|
||||
|
||||
type, private :: tNumerics
|
||||
logical :: update_gamma !< update gamma operator with current stiffness
|
||||
end type tNumerics
|
||||
|
||||
|
||||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc data
|
||||
DM, private :: da
|
||||
|
|
@ -46,7 +46,7 @@ module grid_mech_spectral_polarisation
|
|||
! common pointwise data
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: &
|
||||
F_lastInc, & !< field of previous compatible deformation gradients
|
||||
F_tau_lastInc, & !< field of previous incompatible deformation gradient
|
||||
F_tau_lastInc, & !< field of previous incompatible deformation gradient
|
||||
Fdot, & !< field of assumed rate of compatible deformation gradient
|
||||
F_tauDot !< field of assumed rate of incopatible deformation gradient
|
||||
|
||||
|
|
@ -58,25 +58,25 @@ module grid_mech_spectral_polarisation
|
|||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
F_av = 0.0_pReal, & !< average incompatible def grad field
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
|
||||
|
||||
character(len=pStringLen), private :: incInfo !< time and increment information
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal, & !< current compliance (filled up with zeros)
|
||||
C_scale = 0.0_pReal, &
|
||||
S_scale = 0.0_pReal
|
||||
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_curl, & !< RMS of curl of F
|
||||
err_div !< RMS of div of P
|
||||
|
||||
|
||||
integer, private :: &
|
||||
totalIter = 0 !< total iteration in current increment
|
||||
|
||||
|
||||
public :: &
|
||||
grid_mech_spectral_polarisation_init, &
|
||||
grid_mech_spectral_polarisation_solution, &
|
||||
|
|
@ -90,26 +90,26 @@ contains
|
|||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_spectral_polarisation_init
|
||||
|
||||
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: &
|
||||
FandF_tau, & ! overall pointer to solution data
|
||||
F, & ! specific (sub)pointer
|
||||
F_tau ! specific (sub)pointer
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
integer :: fileUnit
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
||||
|
||||
num%update_gamma = config_numerics%getInt('update_gamma',defaultVal=0) > 0
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -125,11 +125,11 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
allocate(Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate(F_tau_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate(F_tauDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
|
@ -147,24 +147,24 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 18, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetConvergenceTest(snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
|
||||
F => FandF_tau(0: 8,:,:,:)
|
||||
F_tau => FandF_tau(9:17,:,:,:)
|
||||
|
||||
|
||||
restartRead: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
|
||||
call HDF5_read(groupHandle,F_aim, 'F_aim')
|
||||
call HDF5_read(groupHandle,F_aim_lastInc,'F_aim_lastInc')
|
||||
call HDF5_read(groupHandle,F_aimDot, 'F_aimDot')
|
||||
|
|
@ -172,21 +172,21 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
call HDF5_read(groupHandle,F_lastInc, 'F_lastInc')
|
||||
call HDF5_read(groupHandle,F_tau, 'F_tau')
|
||||
call HDF5_read(groupHandle,F_tau_lastInc,'F_tau_lastInc')
|
||||
|
||||
|
||||
elseif (interface_restartInc == 0) then restartRead
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
F_tau = 2.0_pReal*F
|
||||
F_tau_lastInc = 2.0_pReal*F_lastInc
|
||||
endif restartRead
|
||||
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateCoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal) ! time increment
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
|
||||
|
||||
|
||||
restartRead2: if (interface_restartInc > 0) then
|
||||
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
|
||||
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
|
||||
|
|
@ -200,12 +200,12 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
call MPI_File_read(fileUnit,C_minMaxAvg,81,MPI_DOUBLE,MPI_STATUS_IGNORE,ierr)
|
||||
call MPI_File_close(fileUnit,ierr)
|
||||
endif restartRead2
|
||||
|
||||
|
||||
call utilities_updateGamma(C_minMaxAvg)
|
||||
call utilities_saveReferenceStiffness
|
||||
C_scale = C_minMaxAvg
|
||||
S_scale = math_invSym3333(C_minMaxAvg)
|
||||
|
||||
|
||||
end subroutine grid_mech_spectral_polarisation_init
|
||||
|
||||
|
||||
|
|
@ -229,9 +229,9 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
|
|||
solution
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -241,10 +241,10 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
|
|||
call utilities_updateGamma(C_minMaxAvg)
|
||||
C_scale = C_minMaxAvg
|
||||
S_scale = math_invSym3333(C_minMaxAvg)
|
||||
endif
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide available data
|
||||
! set module wide available data
|
||||
params%stress_mask = stress_BC%maskFloat
|
||||
params%stress_BC = stress_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
|
|
@ -252,13 +252,13 @@ function grid_mech_spectral_polarisation_solution(incInfoIn,timeinc,timeinc_old,
|
|||
params%timeincOld = timeinc_old
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
! solve BVP
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
||||
solution%converged = reason > 0
|
||||
solution%iterationsNeeded = totalIter
|
||||
solution%termIll = terminallyIll
|
||||
|
|
@ -299,7 +299,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc
|
||||
C_minMaxAvg = C_minMaxAvgLastInc
|
||||
else
|
||||
else
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
|
|
@ -321,13 +321,13 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_tauDot = utilities_calculateRate(guess, &
|
||||
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
|
||||
|
||||
|
||||
materialpoint_F0 = reshape(F,[3,3,1,product(grid(1:2))*grid3])
|
||||
endif
|
||||
|
||||
|
|
@ -335,7 +335,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
rotation_BC%rotTensor2(F_aim,active=.true.)),&
|
||||
rotation_BC%rotate(F_aim,active=.true.)),&
|
||||
[9,grid(1),grid(2),grid3])
|
||||
if (guess) then
|
||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
||||
|
|
@ -351,7 +351,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
F_tau(1:9,i,j,k) = reshape(F_lambda33,[9])+F(1:9,i,j,k)
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine grid_mech_spectral_polarisation_forward
|
||||
|
|
@ -364,7 +364,7 @@ subroutine grid_mech_spectral_polarisation_updateCoords
|
|||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
call utilities_updateCoords(FandF_tau(0:8,:,:,:))
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -391,7 +391,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
|
|||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
||||
|
||||
call HDF5_write(groupHandle,F_aim, 'F_aim')
|
||||
call HDF5_write(groupHandle,F_aim_lastInc,'F_aim_lastInc')
|
||||
call HDF5_write(groupHandle,F_aimDot, 'F_aimDot')
|
||||
|
|
@ -405,9 +405,9 @@ subroutine grid_mech_spectral_polarisation_restartWrite
|
|||
|
||||
call HDF5_closeGroup(groupHandle)
|
||||
call HDF5_closeFile(fileHandle)
|
||||
|
||||
|
||||
if(num%update_gamma) call utilities_saveReferenceStiffness
|
||||
|
||||
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine grid_mech_spectral_polarisation_restartWrite
|
||||
|
|
@ -417,13 +417,13 @@ end subroutine grid_mech_spectral_polarisation_restartWrite
|
|||
!> @brief convergence check
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dummy,ierr)
|
||||
|
||||
|
||||
SNES :: snes_local
|
||||
PetscInt, intent(in) :: PETScIter
|
||||
PetscReal, intent(in) :: &
|
||||
devNull1, &
|
||||
devNull2, &
|
||||
devNull3
|
||||
devNull3
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
|
|
@ -431,11 +431,11 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
curlTol, &
|
||||
divTol, &
|
||||
BCTol
|
||||
|
||||
|
||||
curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs)
|
||||
divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs)
|
||||
|
||||
|
||||
if ((totalIter >= itmin .and. &
|
||||
all([ err_div /divTol, &
|
||||
err_curl/curlTol, &
|
||||
|
|
@ -456,9 +456,9 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
|
|||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', &
|
||||
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
|
||||
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
flush(6)
|
||||
|
||||
end subroutine converged
|
||||
|
||||
|
|
@ -498,7 +498,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
|
||||
F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
|
|
@ -510,14 +510,14 @@ subroutine formResidual(in, FandF_tau, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!
|
||||
!
|
||||
tensorField_real = 0.0_pReal
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1, grid(1)
|
||||
tensorField_real(1:3,1:3,i,j,k) = &
|
||||
|
|
@ -525,15 +525,15 @@ subroutine formResidual(in, FandF_tau, &
|
|||
polarAlpha*matmul(F(1:3,1:3,i,j,k), &
|
||||
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing convolution in Fourier space
|
||||
! doing convolution in Fourier space
|
||||
call utilities_FFTtensorForward
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(polarBeta*F_aim,active=.true.))
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(polarBeta*F_aim,active=.true.))
|
||||
call utilities_FFTtensorBackward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
! constructing residual
|
||||
residual_F_tau = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -541,13 +541,13 @@ subroutine formResidual(in, FandF_tau, &
|
|||
call utilities_constitutiveResponse(residual_F, & ! "residuum" gets field of first PK stress (to save memory)
|
||||
P_av,C_volAvg,C_minMaxAvg, &
|
||||
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim &
|
||||
-params%rotation_BC%rotTensor2(F_av)) + &
|
||||
-params%rotation_BC%rotate(F_av)) + &
|
||||
params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||
! calculate divergence
|
||||
tensorField_real = 0.0_pReal
|
||||
|
|
@ -566,7 +566,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
|
||||
+ residual_F_tau(1:3,1:3,i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating curl
|
||||
tensorField_real = 0.0_pReal
|
||||
|
|
|
|||
|
|
@ -18,12 +18,12 @@ module spectral_utilities
|
|||
use config
|
||||
use discretization
|
||||
use homogenization
|
||||
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
|
||||
include 'fftw3-mpi.f03'
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! field labels information
|
||||
enum, bind(c)
|
||||
|
|
@ -109,8 +109,8 @@ module spectral_utilities
|
|||
real(pReal) :: timeinc
|
||||
real(pReal) :: timeincOld
|
||||
end type tSolutionParams
|
||||
|
||||
type, private :: tNumerics
|
||||
|
||||
type, private :: tNumerics
|
||||
real(pReal) :: &
|
||||
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
|
||||
integer :: &
|
||||
|
|
@ -122,7 +122,7 @@ module spectral_utilities
|
|||
FFTW_plan_mode, & !< FFTW plan mode, see www.fftw.org
|
||||
PETSc_options
|
||||
end type tNumerics
|
||||
|
||||
|
||||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||||
|
||||
enum, bind(c)
|
||||
|
|
@ -189,18 +189,18 @@ subroutine utilities_init
|
|||
scalarSize = 1_C_INTPTR_T, &
|
||||
vecSize = 3_C_INTPTR_T, &
|
||||
tensorSize = 9_C_INTPTR_T
|
||||
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Diehl, Diploma Thesis TU München, 2010'
|
||||
write(6,'(a)') ' https://doi.org/10.13140/2.1.3234.3840'
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||
|
||||
|
|
@ -209,34 +209,34 @@ subroutine utilities_init
|
|||
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: ', &
|
||||
trim(PETScDebug), &
|
||||
' add more using the PETSc_Options keyword in numerics.config '; flush(6)
|
||||
|
||||
|
||||
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
||||
CHKERRQ(ierr)
|
||||
if(debugPETSc) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
|
||||
grid1Red = grid(1)/2 + 1
|
||||
wgt = 1.0/real(product(grid),pReal)
|
||||
|
||||
|
||||
write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid
|
||||
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
|
||||
|
||||
|
||||
num%memory_efficient = config_numerics%getInt ('memory_efficient', defaultVal=1) > 0
|
||||
num%FFTW_timelimit = config_numerics%getFloat ('fftw_timelimit', defaultVal=-1.0_pReal)
|
||||
num%divergence_correction = config_numerics%getInt ('divergence_correction', defaultVal=2)
|
||||
num%spectral_derivative = config_numerics%getString('spectral_derivative', defaultVal='continuous')
|
||||
num%FFTW_plan_mode = config_numerics%getString('fftw_plan_mode', defaultVal='FFTW_MEASURE')
|
||||
|
||||
|
||||
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
|
||||
call IO_error(301,ext_msg='divergence_correction')
|
||||
|
||||
|
||||
select case (num%spectral_derivative)
|
||||
case ('continuous')
|
||||
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
|
||||
|
|
@ -265,8 +265,8 @@ subroutine utilities_init
|
|||
else
|
||||
scaledGeomSize = geomSize
|
||||
endif
|
||||
|
||||
|
||||
|
||||
|
||||
select case(IO_lc(num%FFTW_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
|
||||
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
|
||||
FFTW_planner_flag = FFTW_ESTIMATE
|
||||
|
|
@ -285,7 +285,7 @@ subroutine utilities_init
|
|||
! general initialization of FFTW (see manual on fftw.org for more details)
|
||||
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) call IO_error(0,ext_msg='Fortran to C') ! check for correct precision in C
|
||||
call fftw_set_timelimit(num%FFTW_timelimit) ! set timelimit for plan creation
|
||||
|
||||
|
||||
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -295,19 +295,19 @@ subroutine utilities_init
|
|||
PETSC_COMM_WORLD, local_K, local_K_offset)
|
||||
allocate (xi1st (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for first derivatives, only half the size for first dimension
|
||||
allocate (xi2nd (3,grid1Red,grid(2),grid3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for second derivatives, only half the size for first dimension
|
||||
|
||||
|
||||
tensorField = fftw_alloc_complex(tensorSize*alloc_local)
|
||||
call c_f_pointer(tensorField, tensorField_real, [3_C_INTPTR_T,3_C_INTPTR_T, &
|
||||
2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T),gridFFTW(2),local_K]) ! place a pointer for a real tensor representation
|
||||
call c_f_pointer(tensorField, tensorField_fourier, [3_C_INTPTR_T,3_C_INTPTR_T, &
|
||||
gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T , gridFFTW(2),local_K]) ! place a pointer for a fourier tensor representation
|
||||
|
||||
|
||||
vectorField = fftw_alloc_complex(vecSize*alloc_local)
|
||||
call c_f_pointer(vectorField, vectorField_real, [3_C_INTPTR_T,&
|
||||
2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T),gridFFTW(2),local_K]) ! place a pointer for a real vector representation
|
||||
call c_f_pointer(vectorField, vectorField_fourier,[3_C_INTPTR_T,&
|
||||
gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T, gridFFTW(2),local_K]) ! place a pointer for a fourier vector representation
|
||||
|
||||
|
||||
scalarField = fftw_alloc_complex(scalarSize*alloc_local) ! allocate data for real representation (no in place transform)
|
||||
call c_f_pointer(scalarField, scalarField_real, &
|
||||
[2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1),gridFFTW(2),local_K]) ! place a pointer for a real scalar representation
|
||||
|
|
@ -371,7 +371,7 @@ subroutine utilities_init
|
|||
xi1st(1:3,i,j,k-grid3Offset) = xi2nd(1:3,i,j,k-grid3Offset)
|
||||
endwhere
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
if(num%memory_efficient) then ! allocate just single fourth order tensor
|
||||
allocate (gamma_hat(3,3,3,3,1,1,1), source = cmplx(0.0_pReal,0.0_pReal,pReal))
|
||||
else ! precalculation of gamma_hat field
|
||||
|
|
@ -388,7 +388,7 @@ end subroutine utilities_init
|
|||
!> In case of an on-the-fly calculation, only the reference stiffness is updated.
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_updateGamma(C)
|
||||
|
||||
|
||||
real(pReal), intent(in), dimension(3,3,3,3) :: C !< input stiffness to store as reference stiffness
|
||||
complex(pReal), dimension(3,3) :: temp33_complex, xiDyad_cmplx
|
||||
real(pReal), dimension(6,6) :: A, A_inv
|
||||
|
|
@ -396,9 +396,9 @@ subroutine utilities_updateGamma(C)
|
|||
i, j, k, &
|
||||
l, m, n, o
|
||||
logical :: err
|
||||
|
||||
|
||||
C_ref = C
|
||||
|
||||
|
||||
if(.not. num%memory_efficient) then
|
||||
gamma_hat = cmplx(0.0_pReal,0.0_pReal,pReal) ! for the singular point and any non invertible A
|
||||
do k = grid3Offset+1, grid3Offset+grid3; do j = 1, grid(2); do i = 1, grid1Red
|
||||
|
|
@ -419,7 +419,7 @@ subroutine utilities_updateGamma(C)
|
|||
endif
|
||||
enddo; enddo; enddo
|
||||
endif
|
||||
|
||||
|
||||
end subroutine utilities_updateGamma
|
||||
|
||||
|
||||
|
|
@ -501,17 +501,17 @@ end subroutine utilities_FFTvectorBackward
|
|||
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_fourierGammaConvolution(fieldAim)
|
||||
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution
|
||||
complex(pReal), dimension(3,3) :: temp33_complex, xiDyad_cmplx
|
||||
real(pReal), dimension(6,6) :: A, A_inv
|
||||
|
||||
|
||||
integer :: &
|
||||
i, j, k, &
|
||||
l, m, n, o
|
||||
logical :: err
|
||||
|
||||
|
||||
|
||||
|
||||
write(6,'(/,a)') ' ... doing gamma convolution ...............................................'
|
||||
flush(6)
|
||||
|
||||
|
|
@ -531,7 +531,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
|
|||
temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
||||
forall(l=1:3, m=1:3, n=1:3, o=1:3) &
|
||||
gamma_hat(l,m,n,o,1,1,1) = temp33_complex(l,n)*conjg(-xi1st(o,i,j,k))*xi1st(m,i,j,k)
|
||||
else
|
||||
else
|
||||
gamma_hat(1:3,1:3,1:3,1:3,1,1,1) = cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
endif
|
||||
forall(l = 1:3, m = 1:3) &
|
||||
|
|
@ -546,7 +546,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
|
|||
tensorField_fourier(1:3,1:3,i,j,k) = temp33_Complex
|
||||
enddo; enddo; enddo
|
||||
endif memoryEfficient
|
||||
|
||||
|
||||
if (grid3Offset == 0) tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim/wgt,0.0_pReal,pReal)
|
||||
|
||||
end subroutine utilities_fourierGammaConvolution
|
||||
|
|
@ -561,7 +561,7 @@ subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
|
|||
real(pReal), intent(in) :: mobility_ref, deltaT
|
||||
complex(pReal) :: GreenOp_hat
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! do the actual spectral method calculation
|
||||
do k = 1, grid3; do j = 1, grid(2) ;do i = 1, grid1Red
|
||||
|
|
@ -625,16 +625,16 @@ real(pReal) function utilities_curlRMS()
|
|||
integer :: i, j, k, l, ierr
|
||||
complex(pReal), dimension(3,3) :: curl_fourier
|
||||
complex(pReal), dimension(3) :: rescaledGeom
|
||||
|
||||
|
||||
write(6,'(/,a)') ' ... calculating curl ......................................................'
|
||||
flush(6)
|
||||
|
||||
|
||||
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculating max curl criterion in Fourier space
|
||||
utilities_curlRMS = 0.0_pReal
|
||||
|
||||
|
||||
do k = 1, grid3; do j = 1, grid(2);
|
||||
do i = 2, grid1Red - 1
|
||||
do l = 1, 3
|
||||
|
|
@ -669,7 +669,7 @@ real(pReal) function utilities_curlRMS()
|
|||
utilities_curlRMS = utilities_curlRMS &
|
||||
+ sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) ! this layer (Nyquist) does not have a conjugate complex counterpart (if grid(1) /= 1)
|
||||
enddo; enddo
|
||||
|
||||
|
||||
call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='utilities_curlRMS')
|
||||
utilities_curlRMS = sqrt(utilities_curlRMS) * wgt
|
||||
|
|
@ -688,9 +688,10 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
type(rotation), intent(in) :: rot_BC !< rotation of load frame
|
||||
logical, intent(in), dimension(3,3) :: mask_stress !< mask of stress BC
|
||||
|
||||
integer :: j, k, m, n
|
||||
logical, dimension(9) :: mask_stressVector
|
||||
real(pReal), dimension(9,9) :: temp99_Real
|
||||
integer :: i, j
|
||||
logical, dimension(9) :: mask_stressVector
|
||||
logical, dimension(9,9) :: mask
|
||||
real(pReal), dimension(9,9) :: temp99_real
|
||||
integer :: size_reduced = 0
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
s_reduced, & !< reduced compliance matrix (depending on number of stress BC)
|
||||
|
|
@ -698,57 +699,33 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
sTimesC !< temp variable to check inversion
|
||||
logical :: errmatinv
|
||||
character(len=pStringLen):: formatString
|
||||
|
||||
|
||||
mask_stressVector = reshape(transpose(mask_stress), [9])
|
||||
size_reduced = count(mask_stressVector)
|
||||
if(size_reduced > 0 )then
|
||||
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (sTimesC(size_reduced,size_reduced), source =0.0_pReal)
|
||||
temp99_Real = math_3333to99(rot_BC%rotTensor4(C))
|
||||
|
||||
if(size_reduced > 0) then
|
||||
temp99_real = math_3333to99(rot_BC%rotate(C))
|
||||
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a)') ' ... updating masked compliance ............................................'
|
||||
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
|
||||
transpose(temp99_Real)*1.0e-9_pReal
|
||||
flush(6)
|
||||
endif
|
||||
k = 0 ! calculate reduced stiffness
|
||||
do n = 1,9
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1
|
||||
j = 0
|
||||
do m = 1,9
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1
|
||||
c_reduced(k,j) = temp99_Real(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
|
||||
|
||||
do i = 1,9; do j = 1,9
|
||||
mask(i,j) = mask_stressVector(i) .and. mask_stressVector(j)
|
||||
enddo; enddo
|
||||
c_reduced = reshape(pack(temp99_Real,mask),[size_reduced,size_reduced])
|
||||
|
||||
allocate(s_reduced,mold = c_reduced)
|
||||
call math_invert(s_reduced, errmatinv, c_reduced) ! invert reduced stiffness
|
||||
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
|
||||
if (errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
|
||||
temp99_Real = 0.0_pReal ! fill up compliance with zeros
|
||||
k = 0
|
||||
do n = 1,9
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1
|
||||
j = 0
|
||||
do m = 1,9
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1
|
||||
temp99_Real(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check if inversion was successful
|
||||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
do m=1, size_reduced
|
||||
do n=1, size_reduced
|
||||
errmatinv = errmatinv &
|
||||
.or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
|
||||
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
||||
enddo
|
||||
enddo
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_identity2nd(size_reduced),1.0e-12_pReal))
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
|
|
@ -757,15 +734,18 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
||||
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
|
||||
endif
|
||||
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
|
||||
else
|
||||
temp99_real = 0.0_pReal
|
||||
endif
|
||||
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
|
||||
flush(6)
|
||||
endif
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
end function utilities_maskedCompliance
|
||||
|
||||
|
|
@ -774,9 +754,9 @@ end function utilities_maskedCompliance
|
|||
!> @brief calculate scalar gradient in fourier field
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_fourierScalarGradient()
|
||||
|
||||
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
|
||||
vectorField_fourier(1:3,i,j,k) = scalarField_fourier(i,j,k)*xi1st(1:3,i,j,k) ! ToDo: no -conjg?
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -788,9 +768,9 @@ end subroutine utilities_fourierScalarGradient
|
|||
!> @brief calculate vector divergence in fourier field
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_fourierVectorDivergence()
|
||||
|
||||
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
|
||||
scalarField_fourier(i,j,k) = sum(vectorField_fourier(1:3,i,j,k)*conjg(-xi1st(1:3,i,j,k)))
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -802,9 +782,9 @@ end subroutine utilities_fourierVectorDivergence
|
|||
!> @brief calculate vector gradient in fourier field
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_fourierVectorGradient()
|
||||
|
||||
|
||||
integer :: i, j, k, m, n
|
||||
|
||||
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
|
||||
do m = 1, 3; do n = 1, 3
|
||||
tensorField_fourier(m,n,i,j,k) = vectorField_fourier(m,i,j,k)*xi1st(n,i,j,k)
|
||||
|
|
@ -820,7 +800,7 @@ end subroutine utilities_fourierVectorGradient
|
|||
subroutine utilities_fourierTensorDivergence()
|
||||
|
||||
integer :: i, j, k
|
||||
|
||||
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
|
||||
vectorField_fourier(:,i,j,k) = matmul(tensorField_fourier(:,:,i,j,k),conjg(-xi1st(:,i,j,k)))
|
||||
enddo; enddo; enddo
|
||||
|
|
@ -833,28 +813,28 @@ end subroutine utilities_fourierTensorDivergence
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||
F,timeinc,rotation_BC)
|
||||
|
||||
|
||||
real(pReal), intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
||||
real(pReal), intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
real(pReal), intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
|
||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target
|
||||
real(pReal), intent(in) :: timeinc !< loading time
|
||||
type(rotation), intent(in), optional :: rotation_BC !< rotation of load frame
|
||||
|
||||
|
||||
|
||||
|
||||
integer :: &
|
||||
i,ierr
|
||||
real(pReal), dimension(3,3,3,3) :: dPdF_max, dPdF_min
|
||||
real(pReal) :: dPdF_norm_max, dPdF_norm_min
|
||||
real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
|
||||
|
||||
|
||||
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||
flush(6)
|
||||
|
||||
|
||||
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
|
||||
|
||||
|
||||
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
|
||||
|
||||
|
||||
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
|
||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
|
@ -862,11 +842,11 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
if(present(rotation_BC)) &
|
||||
P_av = rotation_BC%rotTensor2(P_av)
|
||||
P_av = rotation_BC%rotate(P_av)
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
flush(6)
|
||||
|
||||
|
||||
dPdF_max = 0.0_pReal
|
||||
dPdF_norm_max = 0.0_pReal
|
||||
dPdF_min = huge(1.0_pReal)
|
||||
|
|
@ -881,21 +861,21 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
dPdF_norm_min = sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)**2.0_pReal)
|
||||
endif
|
||||
end do
|
||||
|
||||
|
||||
valueAndRank = [dPdF_norm_max,real(worldrank,pReal)]
|
||||
call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1, MPI_2DOUBLE_PRECISION, MPI_MAXLOC, PETSC_COMM_WORLD, ierr)
|
||||
if (ierr /= 0) call IO_error(894, ext_msg='MPI_Allreduce max')
|
||||
call MPI_Bcast(dPdF_max,81,MPI_DOUBLE,int(valueAndRank(2)),PETSC_COMM_WORLD, ierr)
|
||||
if (ierr /= 0) call IO_error(894, ext_msg='MPI_Bcast max')
|
||||
|
||||
|
||||
valueAndRank = [dPdF_norm_min,real(worldrank,pReal)]
|
||||
call MPI_Allreduce(MPI_IN_PLACE,valueAndRank,1, MPI_2DOUBLE_PRECISION, MPI_MINLOC, PETSC_COMM_WORLD, ierr)
|
||||
if (ierr /= 0) call IO_error(894, ext_msg='MPI_Allreduce min')
|
||||
call MPI_Bcast(dPdF_min,81,MPI_DOUBLE,int(valueAndRank(2)),PETSC_COMM_WORLD, ierr)
|
||||
if (ierr /= 0) call IO_error(894, ext_msg='MPI_Bcast min')
|
||||
|
||||
|
||||
C_minmaxAvg = 0.5_pReal*(dPdF_max + dPdF_min)
|
||||
|
||||
|
||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
C_volAvg = C_volAvg * wgt
|
||||
|
|
@ -908,7 +888,7 @@ end subroutine utilities_constitutiveResponse
|
|||
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
|
||||
|
||||
|
||||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
avRate !< homogeneous addon
|
||||
real(pReal), intent(in) :: &
|
||||
|
|
@ -920,7 +900,7 @@ pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
|
|||
field !< data of current step
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||
utilities_calculateRate
|
||||
|
||||
|
||||
if (heterogeneous) then
|
||||
utilities_calculateRate = (field-field0) / dt
|
||||
else
|
||||
|
|
@ -971,14 +951,14 @@ pure function utilities_getFreqDerivative(k_s)
|
|||
complex(pReal), dimension(3) :: utilities_getFreqDerivative
|
||||
|
||||
select case (spectral_derivative_ID)
|
||||
case (DERIVATIVE_CONTINUOUS_ID)
|
||||
case (DERIVATIVE_CONTINUOUS_ID)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pReal, 2.0_pReal*PI*real(k_s,pReal)/geomSize,pReal)
|
||||
|
||||
case (DERIVATIVE_CENTRAL_DIFF_ID)
|
||||
case (DERIVATIVE_CENTRAL_DIFF_ID)
|
||||
utilities_getFreqDerivative = cmplx(0.0_pReal, sin(2.0_pReal*PI*real(k_s,pReal)/real(grid,pReal)), pReal)/ &
|
||||
cmplx(2.0_pReal*geomSize/real(grid,pReal), 0.0_pReal, pReal)
|
||||
|
||||
case (DERIVATIVE_FWBW_DIFF_ID)
|
||||
cmplx(2.0_pReal*geomSize/real(grid,pReal), 0.0_pReal, pReal)
|
||||
|
||||
case (DERIVATIVE_FWBW_DIFF_ID)
|
||||
utilities_getFreqDerivative(1) = &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) - 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||
|
|
@ -986,7 +966,7 @@ pure function utilities_getFreqDerivative(k_s)
|
|||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(1)/real(grid(1),pReal), 0.0_pReal, pReal)
|
||||
cmplx(4.0_pReal*geomSize(1)/real(grid(1),pReal), 0.0_pReal, pReal)
|
||||
utilities_getFreqDerivative(2) = &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||
|
|
@ -994,7 +974,7 @@ pure function utilities_getFreqDerivative(k_s)
|
|||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(2)/real(grid(2),pReal), 0.0_pReal, pReal)
|
||||
cmplx(4.0_pReal*geomSize(2)/real(grid(2),pReal), 0.0_pReal, pReal)
|
||||
utilities_getFreqDerivative(3) = &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||
|
|
@ -1002,7 +982,7 @@ pure function utilities_getFreqDerivative(k_s)
|
|||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) - 1.0_pReal, &
|
||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||
cmplx(4.0_pReal*geomSize(3)/real(grid(3),pReal), 0.0_pReal, pReal)
|
||||
cmplx(4.0_pReal*geomSize(3)/real(grid(3),pReal), 0.0_pReal, pReal)
|
||||
end select
|
||||
|
||||
end function utilities_getFreqDerivative
|
||||
|
|
@ -1014,7 +994,7 @@ end function utilities_getFreqDerivative
|
|||
! convolution
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_updateCoords(F)
|
||||
|
||||
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F
|
||||
real(pReal), dimension(3, grid(1),grid(2),grid3) :: IPcoords
|
||||
real(pReal), dimension(3, grid(1),grid(2),grid3+2) :: IPfluct_padded ! Fluctuations of cell center displacement (padded along z for MPI)
|
||||
|
|
@ -1040,7 +1020,7 @@ subroutine utilities_updateCoords(F)
|
|||
1, 0, 1, &
|
||||
1, 1, 1, &
|
||||
0, 1, 1 ], [3,8])
|
||||
|
||||
|
||||
step = geomSize/real(grid, pReal)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! integration in Fourier space to get fluctuations of cell center discplacements
|
||||
|
|
@ -1057,27 +1037,27 @@ subroutine utilities_updateCoords(F)
|
|||
enddo; enddo; enddo
|
||||
|
||||
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! average F
|
||||
if (grid3Offset == 0) Favg = real(tensorField_fourier(1:3,1:3,1,1,1),pReal)*wgt
|
||||
call MPI_Bcast(Favg,9,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='update_IPcoords/MPI_Bcast')
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! pad cell center fluctuations along z-direction (needed when running MPI simulation)
|
||||
IPfluct_padded(1:3,1:grid(1),1:grid(2),2:grid3+1) = vectorField_real(1:3,1:grid(1),1:grid(2),1:grid3)
|
||||
c = product(shape(IPfluct_padded(:,:,:,1))) !< amount of data to transfer
|
||||
rank_t = modulo(worldrank+1,worldsize)
|
||||
rank_b = modulo(worldrank-1,worldsize)
|
||||
|
||||
|
||||
! send bottom layer to process below
|
||||
call MPI_Isend(IPfluct_padded(:,:,:,2), c,MPI_DOUBLE,rank_b,0,PETSC_COMM_WORLD,r,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='update_IPcoords/MPI_Isend')
|
||||
call MPI_Irecv(IPfluct_padded(:,:,:,grid3+2),c,MPI_DOUBLE,rank_t,0,PETSC_COMM_WORLD,r,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='update_IPcoords/MPI_Irecv')
|
||||
call MPI_Wait(r,s,ierr)
|
||||
|
||||
|
||||
! send top layer to process above
|
||||
if(ierr /=0) call IO_error(894, ext_msg='update_IPcoords/MPI_Wait')
|
||||
call MPI_Isend(IPfluct_padded(:,:,:,grid3+1),c,MPI_DOUBLE,rank_t,0,PETSC_COMM_WORLD,r,ierr)
|
||||
|
|
@ -1085,9 +1065,9 @@ subroutine utilities_updateCoords(F)
|
|||
call MPI_Irecv(IPfluct_padded(:,:,:,1), c,MPI_DOUBLE,rank_b,0,PETSC_COMM_WORLD,r,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='update_IPcoords/MPI_Irecv')
|
||||
call MPI_Wait(r,s,ierr)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate nodal displacements
|
||||
! calculate nodal displacements
|
||||
nodeCoords = 0.0_pReal
|
||||
do k = 0,grid3; do j = 0,grid(2); do i = 0,grid(1)
|
||||
nodeCoords(1:3,i+1,j+1,k+1) = matmul(Favg,step*(real([i,j,k+grid3Offset],pReal)))
|
||||
|
|
@ -1097,17 +1077,17 @@ subroutine utilities_updateCoords(F)
|
|||
+ IPfluct_padded(1:3,modulo(me(1)-1,grid(1))+1,modulo(me(2)-1,grid(2))+1,me(3)+1)*0.125_pReal
|
||||
enddo averageFluct
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate cell center displacements
|
||||
do k = 1,grid3; do j = 1,grid(2); do i = 1,grid(1)
|
||||
IPcoords(1:3,i,j,k) = vectorField_real(1:3,i,j,k) &
|
||||
+ matmul(Favg,step*real([i,j,k+grid3Offset]-0.5_pReal,pReal))
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
call discretization_setNodeCoords(reshape(NodeCoords,[3,(grid(1)+1)*(grid(2)+1)*(grid3+1)]))
|
||||
call discretization_setIPcoords (reshape(IPcoords, [3,grid(1)*grid(2)*grid3]))
|
||||
|
||||
|
||||
end subroutine utilities_updateCoords
|
||||
|
||||
|
||||
|
|
@ -1115,7 +1095,7 @@ end subroutine utilities_updateCoords
|
|||
!> @brief Write out the current reference stiffness for restart.
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_saveReferenceStiffness
|
||||
|
||||
|
||||
integer :: &
|
||||
fileUnit
|
||||
|
||||
|
|
@ -1125,7 +1105,7 @@ subroutine utilities_saveReferenceStiffness
|
|||
write(fileUnit) C_ref
|
||||
close(fileUnit)
|
||||
endif
|
||||
|
||||
|
||||
end subroutine utilities_saveReferenceStiffness
|
||||
|
||||
end module spectral_utilities
|
||||
|
|
|
|||
|
|
@ -146,9 +146,7 @@ subroutine homogenization_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate and initialize global variables
|
||||
allocate(materialpoint_dPdF(3,3,3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
allocate(materialpoint_F0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
materialpoint_F0 = spread(spread(math_I3,3,discretization_nIP),4,discretization_nElem) ! initialize to identity
|
||||
allocate(materialpoint_F(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
materialpoint_F = materialpoint_F0 ! initialize to identity
|
||||
allocate(materialpoint_subF0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
allocate(materialpoint_subF(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
|
|
@ -333,12 +331,10 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
!$OMP FLUSH(terminallyIll)
|
||||
if (.not. terminallyIll) then ! so first signals terminally ill...
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*) 'Integration point ', i,' at element ', e, ' terminally ill'
|
||||
write(6,*) 'Integration point ', i,' at element ', e, ' terminally ill'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
!$OMP CRITICAL (setTerminallyIll)
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
!$OMP END CRITICAL (setTerminallyIll)
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
else ! cutback makes sense
|
||||
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
||||
|
||||
|
|
|
|||
724
src/lattice.f90
724
src/lattice.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -257,7 +257,7 @@ subroutine material_init
|
|||
allocate(damage (material_Nhomogenization))
|
||||
|
||||
allocate(temperatureRate (material_Nhomogenization))
|
||||
|
||||
|
||||
do m = 1,size(config_microstructure)
|
||||
if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1 .or. &
|
||||
maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > size(config_phase)) &
|
||||
|
|
@ -268,6 +268,7 @@ subroutine material_init
|
|||
if(microstructure_Nconstituents(m) < 1) &
|
||||
call IO_error(151,m)
|
||||
enddo
|
||||
if(homogenization_maxNgrains > size(microstructure_phase,1)) call IO_error(148)
|
||||
|
||||
debugOut: if (iand(myDebug,debug_levelExtensive) /= 0) then
|
||||
write(6,'(/,a,/)') ' MATERIAL configuration'
|
||||
|
|
@ -290,6 +291,7 @@ subroutine material_init
|
|||
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
! new mappings
|
||||
|
||||
allocate(material_phaseAt(homogenization_maxNgrains,discretization_nElem), source=0)
|
||||
allocate(material_texture(homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0) !this is only needed by plasticity nonlocal
|
||||
allocate(material_orientation0(homogenization_maxNgrains,discretization_nIP,discretization_nElem))
|
||||
|
|
@ -298,15 +300,24 @@ subroutine material_init
|
|||
do i = 1, discretization_nIP
|
||||
myMicro = discretization_microstructureAt(e)
|
||||
do c = 1, homogenization_Ngrains(discretization_homogenizationAt(e))
|
||||
material_phaseAt(c,e) = microstructure_phase(c,myMicro)
|
||||
material_texture(c,i,e) = microstructure_texture(c,myMicro)
|
||||
material_orientation0(c,i,e) = texture_orientation(material_texture(c,i,e))
|
||||
if(microstructure_phase(c,myMicro) > 0) then
|
||||
material_phaseAt(c,e) = microstructure_phase(c,myMicro)
|
||||
else
|
||||
call IO_error(150,ext_msg='phase')
|
||||
endif
|
||||
if(microstructure_texture(c,myMicro) > 0) then
|
||||
material_texture(c,i,e) = microstructure_texture(c,myMicro)
|
||||
material_orientation0(c,i,e) = texture_orientation(material_texture(c,i,e))
|
||||
else
|
||||
call IO_error(150,ext_msg='texture')
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
|
||||
deallocate(microstructure_phase)
|
||||
deallocate(microstructure_texture)
|
||||
deallocate(texture_orientation)
|
||||
|
||||
|
||||
allocate(material_homogenizationAt,source=discretization_homogenizationAt)
|
||||
|
|
@ -464,7 +475,7 @@ subroutine material_parseMicrostructure
|
|||
real(pReal), dimension(:,:), allocatable :: &
|
||||
microstructure_fraction !< vol fraction of each constituent in microstructure
|
||||
integer :: &
|
||||
microstructure_maxNconstituents !< max number of constituents in any phase
|
||||
maxNconstituents !< max number of constituents in any phase
|
||||
|
||||
allocate(microstructure_Nconstituents(size(config_microstructure)), source=0)
|
||||
|
||||
|
|
@ -475,10 +486,10 @@ subroutine material_parseMicrostructure
|
|||
microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)')
|
||||
enddo
|
||||
|
||||
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
|
||||
allocate(microstructure_phase (microstructure_maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal)
|
||||
maxNconstituents = maxval(microstructure_Nconstituents)
|
||||
allocate(microstructure_phase (maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_texture (maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_fraction(maxNconstituents,size(config_microstructure)),source=0.0_pReal)
|
||||
|
||||
allocate(strings(1)) ! Intel 16.0 Bug
|
||||
do m=1, size(config_microstructure)
|
||||
|
|
|
|||
|
|
@ -485,15 +485,15 @@ end subroutine results_writeScalarDataset_rotation
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
||||
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
||||
|
||||
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
|
||||
integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element)
|
||||
character(len=*), dimension(:), intent(in) :: label !< label of each phase section
|
||||
integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
|
||||
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
|
||||
|
||||
integer, dimension(size(memberAt,1),size(memberAt,2),size(memberAt,3)) :: &
|
||||
phaseAt_perIP, &
|
||||
memberAt_total
|
||||
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: &
|
||||
phaseAtMaterialpoint, &
|
||||
memberAtGlobal
|
||||
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
|
||||
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
|
||||
integer(HSIZE_T), dimension(2) :: &
|
||||
|
|
@ -543,10 +543,10 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAt,2) ! number of points/instance of this process
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAtLocal,2) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAt(1,:,:)) ! total number of points by this process
|
||||
writeSize(worldrank) = size(memberAtLocal(1,:,:)) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
|
|
@ -578,14 +578,14 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(phaseAt_perIP,2)
|
||||
phaseAt_perIP(:,i,:) = phaseAt
|
||||
do i = 1, size(phaseAtMaterialpoint,2)
|
||||
phaseAtMaterialpoint(:,i,:) = phaseAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(phaseAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
where(phaseAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -596,10 +596,10 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f')
|
||||
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAt_perIP,.true.)),myShape), &
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id')
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAt_total,.true.),myShape), &
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/position_id')
|
||||
|
||||
|
|
@ -620,15 +620,15 @@ end subroutine results_mapping_constituent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
||||
subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
|
||||
|
||||
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
|
||||
integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element)
|
||||
character(len=*), dimension(:), intent(in) :: label !< label of each homogenization section
|
||||
integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element)
|
||||
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
|
||||
|
||||
integer, dimension(size(memberAt,1),size(memberAt,2)) :: &
|
||||
homogenizationAt_perIP, &
|
||||
memberAt_total
|
||||
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: &
|
||||
homogenizationAtMaterialpoint, &
|
||||
memberAtGlobal
|
||||
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
|
||||
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
|
||||
integer(HSIZE_T), dimension(1) :: &
|
||||
|
|
@ -678,10 +678,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAt,1) ! number of points/instance of this process
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAtLocal,1) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAt) ! total number of points by this process
|
||||
writeSize(worldrank) = size(memberAtLocal) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
|
|
@ -713,14 +713,14 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(homogenizationAt_perIP,1)
|
||||
homogenizationAt_perIP(i,:) = homogenizationAt
|
||||
do i = 1, size(homogenizationAtMaterialpoint,1)
|
||||
homogenizationAtMaterialpoint(i,:) = homogenizationAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(homogenizationAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
where(homogenizationAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -731,10 +731,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f')
|
||||
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAt_perIP,.true.)),myShape), &
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id')
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAt_total,.true.),myShape), &
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/position_id')
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue