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DAMASK_EICMD
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added doxygen documentation to material.f90 and marked read-only quantities as protected where possible, removed substituted "call flush" by "flush"

This commit is contained in:
Martin Diehl 2013-01-18 11:30:52 +00:00
parent b018934b45
commit 9ee8108b6b
8 changed files with 275 additions and 268 deletions
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17
code/CPFEM.f90
View File

@ -207,10 +207,8 @@ subroutine CPFEM_init
endif endif
! *** end of restoring ! *** end of restoring
!$OMP CRITICAL (write2out) write(6,'(/,a)') '<<<+- CPFEM init -+>>>'
write(6,*) write(6,'(a)') '$Id$'
write(6,*) '<<<+- CPFEM init -+>>>'
write(6,*) '$Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs) write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
@ -221,7 +219,6 @@ subroutine CPFEM_init
write(6,*) 'symmetricSolver: ', symmetricSolver write(6,*) 'symmetricSolver: ', symmetricSolver
endif endif
flush(6) flush(6)
!$OMP END CRITICAL (write2out)
end subroutine CPFEM_init end subroutine CPFEM_init
@ -354,16 +351,14 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt .and. cp_en == 1 .and. IP == 1) then if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt .and. cp_en == 1 .and. IP == 1) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) write(6,'(/,a)') '#############################################'
write(6,'(a)') '#############################################'
write(6,'(a1,a22,1x,f15.7,a6)') '#','theTime', theTime, '#' write(6,'(a1,a22,1x,f15.7,a6)') '#','theTime', theTime, '#'
write(6,'(a1,a22,1x,f15.7,a6)') '#','theDelta', theDelta, '#' write(6,'(a1,a22,1x,f15.7,a6)') '#','theDelta', theDelta, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','theInc', theInc, '#' write(6,'(a1,a22,1x,i8,a13)') '#','theInc', theInc, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','cycleCounter', cycleCounter, '#' write(6,'(a1,a22,1x,i8,a13)') '#','cycleCounter', cycleCounter, '#'
write(6,'(a1,a22,1x,i8,a13)') '#','computationMode',mode, '#' write(6,'(a1,a22,1x,i8,a13)') '#','computationMode',mode, '#'
write(6,'(a)') '#############################################' write(6,'(a,/)') '#############################################'
write(6,*) flush (6)
call flush (6)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
@ -617,7 +612,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') '<< CPFEM >> stress/MPa at el ip ', cp_en, IP, cauchyStress/1.0e6_pReal write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') '<< CPFEM >> stress/MPa at el ip ', cp_en, IP, cauchyStress/1.0e6_pReal
write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') '<< CPFEM >> Jacobian/GPa at el ip ', cp_en, IP, transpose(jacobian)/1.0e9_pReal write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') '<< CPFEM >> Jacobian/GPa at el ip ', cp_en, IP, transpose(jacobian)/1.0e9_pReal
call flush(6) flush(6)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif

2
code/DAMASK_spectral_driver.f90
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@ -431,7 +431,7 @@ program DAMASK_spectral_Driver
cutBack = .False. cutBack = .False.
if(solres%termIll .or. .not. solres%converged) then ! no solution found if(solres%termIll .or. .not. solres%converged) then ! no solution found
if (cutBackLevel < maxCutBack) then ! do cut back if (cutBackLevel < maxCutBack) then ! do cut back
write(6,'(/,a)') 'cut back detected' write(6,'(/,a)') ' cut back detected'
cutBack = .True. cutBack = .True.
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt cutBackLevel = cutBackLevel + 1_pInt

6
code/DAMASK_spectral_solverAL.f90
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@ -282,15 +282,15 @@ type(tSolutionState) function &
call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file call IO_write_jobBinaryFile(777,'F_lambda_lastInc',size(F_lambda_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lambda_lastInc write (777,rec=1) F_lambda_lastInc
close (777) close (777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
call IO_write_jobBinaryFile(777,'C',size(C)) call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C write (777,rec=1) C
close(777) close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc)) call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
write (777,rec=1) C_lastInc write (777,rec=1) C_lastInc
close(777) close(777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
endif endif
AL_solution%converged =.false. AL_solution%converged =.false.

6
code/DAMASK_spectral_solverBasic.f90
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@ -226,15 +226,15 @@ type(tSolutionState) function &
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(f_aimDot))
write (777,rec=1) f_aimDot
close(777)
call IO_write_jobBinaryFile(777,'C',size(C)) call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C write (777,rec=1) C
close(777) close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc)) call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
write (777,rec=1) C_lastInc write (777,rec=1) C_lastInc
close(777) close(777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(f_aimDot))
write (777,rec=1) f_aimDot
close(777)
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

6
code/DAMASK_spectral_solverBasicPETSc.f90
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@ -254,15 +254,15 @@ type(tSolutionState) function &
call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobBinaryFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
call IO_write_jobBinaryFile(777,'C',size(C)) call IO_write_jobBinaryFile(777,'C',size(C))
write (777,rec=1) C write (777,rec=1) C
close(777) close(777)
call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc)) call IO_write_jobBinaryFile(777,'C_lastInc',size(C_lastInc))
write (777,rec=1) C_lastInc write (777,rec=1) C_lastInc
close(777) close(777)
call IO_write_jobBinaryFile(777,'F_aimDot',size(F_aimDot))
write (777,rec=1) F_aimDot
close(777)
endif endif
mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(F,[3,3,res(1),res(2),res(3)])),& mesh_ipCoordinates = reshape(mesh_deformedCoordsFFT(geomdim,reshape(F,[3,3,res(1),res(2),res(3)])),&
[3,1,mesh_NcpElems]) [3,1,mesh_NcpElems])

2
code/DAMASK_spectral_utilities.f90
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@ -141,7 +141,7 @@ subroutine utilities_init()
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
write(6,'(a)') '' write(6,'(a)') ''
call flush(6) flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set debugging parameters ! set debugging parameters

208
code/material.f90
View File

@ -21,25 +21,28 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!! Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !! Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Parses material.config !> @brief Parses material config file, either solverJobName.materialConfig or material.config
!> @details reads the material configuration file, where solverJobName.materialConfig takes
!! precedence over material.config and parses the sections 'homogenization', 'crystallite',
!! 'phase', 'texture', and 'microstucture'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module material module material
use prec, only: &
use prec, only: pReal, & pReal, &
pInt pInt
implicit none implicit none
private private
character(len=64), parameter, public :: & character(len=64), parameter, public :: &
material_configFile = 'material.config', & material_configFile = 'material.config', & !> generic name for material configuration file
material_localFileExt = 'materialConfig' material_localFileExt = 'materialConfig' !> extension of solver job name depending material configuration file
character(len=32), parameter, public :: & character(len=32), parameter, public :: &
material_partHomogenization = 'homogenization', & material_partHomogenization = 'homogenization', & !> keyword for homogenization part
material_partCrystallite = 'crystallite', & material_partCrystallite = 'crystallite', & !> keyword for crystallite part
material_partPhase = 'phase' material_partPhase = 'phase' !> keyword for phase part
character(len=64), dimension(:), allocatable, public :: & character(len=64), dimension(:), allocatable, public, protected :: &
phase_elasticity, & !> elasticity of each phase phase_elasticity, & !> elasticity of each phase
phase_plasticity, & !> plasticity of each phase phase_plasticity, & !> plasticity of each phase
phase_name, & !> name of each phase phase_name, & !> name of each phase
@ -47,14 +50,14 @@ module material
homogenization_type, & !> type of each homogenization homogenization_type, & !> type of each homogenization
crystallite_name !> name of each crystallite setting crystallite_name !> name of each crystallite setting
integer(pInt), public :: & integer(pInt), public, protected :: &
homogenization_maxNgrains, & !> max number of grains in any USED homogenization homogenization_maxNgrains, & !> max number of grains in any USED homogenization
material_Nphase, & !> number of phases material_Nphase, & !> number of phases
material_Nhomogenization, & !> number of homogenizations material_Nhomogenization, & !> number of homogenizations
material_Nmicrostructure, & !> number of microstructures material_Nmicrostructure, & !> number of microstructures
material_Ncrystallite !> number of crystallite settings material_Ncrystallite !> number of crystallite settings
integer(pInt), dimension(:), allocatable, public :: & integer(pInt), dimension(:), allocatable, public, protected :: &
homogenization_Ngrains, & !> number of grains in each homogenization homogenization_Ngrains, & !> number of grains in each homogenization
homogenization_Noutput, & !> number of '(output)' items per homogenization homogenization_Noutput, & !> number of '(output)' items per homogenization
phase_Noutput, & !> number of '(output)' items per phase phase_Noutput, & !> number of '(output)' items per phase
@ -64,22 +67,23 @@ module material
homogenization_typeInstance, & !> instance of particular type of each homogenization homogenization_typeInstance, & !> instance of particular type of each homogenization
microstructure_crystallite !> crystallite setting ID of each microstructure microstructure_crystallite !> crystallite setting ID of each microstructure
integer(pInt), dimension(:,:,:), allocatable, public :: & integer(pInt), dimension(:,:,:), allocatable, public:: &
material_phase, & !> phase (index) of each grain,IP,element material_phase !> phase (index) of each grain,IP,element
integer(pInt), dimension(:,:,:), allocatable, public, protected :: &
material_texture !> texture (index) of each grain,IP,element material_texture !> texture (index) of each grain,IP,element
real(pReal), dimension(:,:,:,:), allocatable, public :: & real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
material_EulerAngles !> initial orientation of each grain,IP,element material_EulerAngles !> initial orientation of each grain,IP,element
logical, dimension(:), allocatable, public :: & logical, dimension(:), allocatable, public, protected :: &
microstructure_active, & microstructure_active, &
microstructure_elemhomo, & !> flag to indicate homogeneous microstructure distribution over element's IPs microstructure_elemhomo, & !> flag to indicate homogeneous microstructure distribution over element's IPs
phase_localPlasticity !> flags phases with local constitutive law phase_localPlasticity !> flags phases with local constitutive law
character(len=32), parameter, private :: & character(len=32), parameter, private :: &
material_partMicrostructure = 'microstructure', & material_partMicrostructure = 'microstructure', & !> keyword for microstructure part
material_partTexture = 'texture' material_partTexture = 'texture' !> keyword for texture part
character(len=64), dimension(:), allocatable, private :: & character(len=64), dimension(:), allocatable, private :: &
microstructure_name, & !> name of each microstructure microstructure_name, & !> name of each microstructure
@ -107,7 +111,7 @@ module material
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
microstructure_fraction !> vol fraction of each constituent in microstructure microstructure_fraction !> vol fraction of each constituent in microstructure
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable, private :: &
material_volume, & !> volume of each grain,IP,element material_volume, & !> volume of each grain,IP,element
texture_Gauss, & !> data of each Gauss component texture_Gauss, & !> data of each Gauss component
texture_Fiber !> data of each Fiber component texture_Fiber !> data of each Fiber component
@ -118,69 +122,65 @@ module material
public :: material_init public :: material_init
private :: material_parseHomogenization, &
material_parseMicrostructure, &
material_parseCrystallite, &
material_parsePhase, &
material_parseTexture, &
material_populateGrains
contains contains
!*********************************************************************
subroutine material_init
!*********************************************************************
!* Module initialization *
!**************************************
!--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file
!> @details figures out if solverJobName.materialConfig is present, if not looks for
!> material.config
!--------------------------------------------------------------------------------------------------
subroutine material_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use IO, only: IO_error, & use IO, only: &
IO_error, &
IO_open_file, & IO_open_file, &
IO_open_jobFile_stat IO_open_jobFile_stat
use debug, only: debug_level, & use debug, only: &
debug_level, &
debug_material, & debug_material, &
debug_levelBasic, & debug_levelBasic, &
debug_levelExtensive debug_levelExtensive
implicit none implicit none
integer(pInt), parameter :: fileunit = 200_pInt integer(pInt), parameter :: fileunit = 200_pInt
integer(pInt) :: i,j, myDebug integer(pInt) :: i,j, myDebug
myDebug = debug_level(debug_material) myDebug = debug_level(debug_material)
!$OMP CRITICAL (write2out) write(6,'(/,a)') ' <<<+- material init -+>>>'
write(6,*) write(6,'(a)') ' $Id$'
write(6,*) '<<<+- material init -+>>>'
write(6,*) '$Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
!$OMP END CRITICAL (write2out)
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present... if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
call IO_open_file(fileunit,material_configFile) ! ...open material.config file call IO_open_file(fileunit,material_configFile) ! ...open material.config file
endif endif
call material_parseHomogenization(fileunit,material_partHomogenization) call material_parseHomogenization(fileunit,material_partHomogenization)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*) 'Homogenization parsed' write(6,*) 'Homogenization parsed'
!$OMP END CRITICAL (write2out)
endif endif
call material_parseMicrostructure(fileunit,material_partMicrostructure) call material_parseMicrostructure(fileunit,material_partMicrostructure)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*) 'Microstructure parsed' write(6,*) 'Microstructure parsed'
!$OMP END CRITICAL (write2out)
endif endif
call material_parseCrystallite(fileunit,material_partCrystallite) call material_parseCrystallite(fileunit,material_partCrystallite)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*) 'Crystallite parsed' write(6,*) 'Crystallite parsed'
!$OMP END CRITICAL (write2out)
endif endif
call material_parseTexture(fileunit,material_partTexture) call material_parseTexture(fileunit,material_partTexture)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*) 'Texture parsed' write(6,*) 'Texture parsed'
!$OMP END CRITICAL (write2out)
endif endif
call material_parsePhase(fileunit,material_partPhase) call material_parsePhase(fileunit,material_partPhase)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*) 'Phase parsed' write(6,*) 'Phase parsed'
!$OMP END CRITICAL (write2out)
endif endif
close(fileunit) close(fileunit)
@ -193,18 +193,13 @@ subroutine material_init
maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(152_pInt,i) maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(152_pInt,i)
if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then
if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,*)'sum of microstructure fraction = ',sum(microstructure_fraction(:,i)) write(6,*)'sum of microstructure fraction = ',sum(microstructure_fraction(:,i))
!$OMP END CRITICAL (write2out)
endif endif
call IO_error(153_pInt,i) call IO_error(153_pInt,i)
endif endif
enddo enddo
if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
!$OMP CRITICAL (write2out) write(6,'(/,a,/)') ' MATERIAL configuration'
write(6,*)
write(6,*) 'MATERIAL configuration'
write(6,*)
write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains' write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
do i = 1_pInt,material_Nhomogenization do i = 1_pInt,material_Nhomogenization
write(6,'(1x,a32,1x,a16,1x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i) write(6,'(1x,a32,1x,a16,1x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i)
@ -225,7 +220,6 @@ subroutine material_init
write(6,*) write(6,*)
endif endif
enddo enddo
!$OMP END CRITICAL (write2out)
endif endif
call material_populateGrains call material_populateGrains
@ -233,12 +227,13 @@ subroutine material_init
end subroutine material_init end subroutine material_init
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization(myFile,myPart) subroutine material_parseHomogenization(myFile,myPart)
!*********************************************************************
use IO use IO
use mesh, only: mesh_element use mesh, only: &
mesh_element
implicit none implicit none
character(len=*), intent(in) :: myPart character(len=*), intent(in) :: myPart
@ -307,12 +302,14 @@ subroutine material_parseHomogenization(myFile,myPart)
end subroutine material_parseHomogenization end subroutine material_parseHomogenization
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief parses the microstructure part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseMicrostructure(myFile,myPart) subroutine material_parseMicrostructure(myFile,myPart)
!*********************************************************************
use IO use IO
use mesh, only: mesh_element, mesh_NcpElems use mesh, only: &
mesh_element, &
mesh_NcpElems
implicit none implicit none
character(len=*), intent(in) :: myPart character(len=*), intent(in) :: myPart
@ -344,9 +341,12 @@ subroutine material_parseMicrostructure(myFile,myPart)
microstructure_maxNconstituents = maxval(microstructure_Nconstituents) microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
microstructure_elemhomo = IO_spotTagInPart(myFile,myPart,'/elementhomogeneous/',Nsections) microstructure_elemhomo = IO_spotTagInPart(myFile,myPart,'/elementhomogeneous/',Nsections)
allocate(microstructure_phase (microstructure_maxNconstituents,Nsections)); microstructure_phase = 0_pInt allocate(microstructure_phase (microstructure_maxNconstituents,Nsections))
allocate(microstructure_texture (microstructure_maxNconstituents,Nsections)); microstructure_texture = 0_pInt microstructure_phase = 0_pInt
allocate(microstructure_fraction(microstructure_maxNconstituents,Nsections)); microstructure_fraction = 0.0_pReal allocate(microstructure_texture (microstructure_maxNconstituents,Nsections))
microstructure_texture = 0_pInt
allocate(microstructure_fraction(microstructure_maxNconstituents,Nsections))
microstructure_fraction = 0.0_pReal
rewind(myFile) rewind(myFile)
line = '' line = ''
@ -393,11 +393,12 @@ subroutine material_parseMicrostructure(myFile,myPart)
100 end subroutine material_parseMicrostructure 100 end subroutine material_parseMicrostructure
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief parses the crystallite part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseCrystallite(myFile,myPart) subroutine material_parseCrystallite(myFile,myPart)
!********************************************************************* use IO, only: &
IO_countSections, &
use IO, only: IO_countSections, &
IO_error, & IO_error, &
IO_countTagInPart, & IO_countTagInPart, &
IO_globalTagInPart, & IO_globalTagInPart, &
@ -448,10 +449,10 @@ subroutine material_parseCrystallite(myFile,myPart)
100 end subroutine material_parseCrystallite 100 end subroutine material_parseCrystallite
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief parses the phase part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parsePhase(myFile,myPart) subroutine material_parsePhase(myFile,myPart)
!*********************************************************************
use IO use IO
implicit none implicit none
@ -524,12 +525,14 @@ subroutine material_parsePhase(myFile,myPart)
100 end subroutine material_parsePhase 100 end subroutine material_parsePhase
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief parses the texture part in the material configuration file
!--------------------------------------------------------------------------------------------------
subroutine material_parseTexture(myFile,myPart) subroutine material_parseTexture(myFile,myPart)
!*********************************************************************
use IO use IO
use math, only: inRad, math_sampleRandomOri use math, only: &
inRad, &
math_sampleRandomOri
implicit none implicit none
character(len=*), intent(in) :: myPart character(len=*), intent(in) :: myPart
@ -660,24 +663,31 @@ subroutine material_parseTexture(myFile,myPart)
100 end subroutine material_parseTexture 100 end subroutine material_parseTexture
!********************************************************************* !--------------------------------------------------------------------------------------------------
!> @brief populates the grains
!> @details populates the grains by identifying active microstructure/homogenization pairs,
!! calculates the volume of the grains and deals with texture components and hybridIA
!--------------------------------------------------------------------------------------------------
subroutine material_populateGrains subroutine material_populateGrains
!********************************************************************* use math, only: &
math_sampleRandomOri, &
use math, only: math_sampleRandomOri, &
math_sampleGaussOri, & math_sampleGaussOri, &
math_sampleFiberOri, & math_sampleFiberOri, &
math_symmetricEulers math_symmetricEulers
use mesh, only: mesh_element, & use mesh, only: &
mesh_element, &
mesh_maxNips, & mesh_maxNips, &
mesh_NcpElems, & mesh_NcpElems, &
mesh_ipVolume, & mesh_ipVolume, &
FE_Nips, & FE_Nips, &
FE_geomtype FE_geomtype
use IO, only: IO_error, & use IO, only: &
IO_error, &
IO_hybridIA IO_hybridIA
use FEsolving, only: FEsolving_execIP use FEsolving, only: &
use debug, only: debug_level, & FEsolving_execIP
use debug, only: &
debug_level, &
debug_material, & debug_material, &
debug_levelBasic debug_levelBasic
@ -707,6 +717,7 @@ subroutine material_populateGrains
allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt
allocate(Nelems(material_Nhomogenization,material_Nmicrostructure)); Nelems = 0_pInt allocate(Nelems(material_Nhomogenization,material_Nmicrostructure)); Nelems = 0_pInt
!--------------------------------------------------------------------------------------------------
! precounting of elements for each homog/micro pair ! precounting of elements for each homog/micro pair
do e = 1_pInt, mesh_NcpElems do e = 1_pInt, mesh_NcpElems
homog = mesh_element(3,e) homog = mesh_element(3,e)
@ -717,9 +728,9 @@ subroutine material_populateGrains
allocate(elemsOfHomogMicro(maxval(Nelems),material_Nhomogenization,material_Nmicrostructure)) allocate(elemsOfHomogMicro(maxval(Nelems),material_Nhomogenization,material_Nmicrostructure))
elemsOfHomogMicro = 0_pInt elemsOfHomogMicro = 0_pInt
Nelems = 0_pInt ! reuse as counter !--------------------------------------------------------------------------------------------------
! identify maximum grain count per IP (from element) and find grains per homog/micro pair ! identify maximum grain count per IP (from element) and find grains per homog/micro pair
Nelems = 0_pInt ! reuse as counter
do e = 1_pInt,mesh_NcpElems do e = 1_pInt,mesh_NcpElems
t = FE_geomtype(mesh_element(2,e)) t = FE_geomtype(mesh_element(2,e))
homog = mesh_element(3,e) homog = mesh_element(3,e)
@ -764,7 +775,8 @@ subroutine material_populateGrains
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
! ---------------------------------------------------------------------------- calculate volume of each grain !--------------------------------------------------------------------------------------------------
! calculate volume of each grain
volumeOfGrain = 0.0_pReal volumeOfGrain = 0.0_pReal
grain = 0_pInt grain = 0_pInt
do hme = 1_pInt, Nelems(homog,micro) do hme = 1_pInt, Nelems(homog,micro)
@ -782,7 +794,8 @@ subroutine material_populateGrains
endif endif
enddo enddo
! ---------------------------------------------------------------------------- divide myNgrains as best over constituents !--------------------------------------------------------------------------------------------------
! divide myNgrains as best over constituents
NgrainsOfConstituent = 0_pInt NgrainsOfConstituent = 0_pInt
forall (i = 1_pInt:microstructure_Nconstituents(micro)) & forall (i = 1_pInt:microstructure_Nconstituents(micro)) &
NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro) * myNgrains, pInt) ! do rounding integer conversion NgrainsOfConstituent(i) = nint(microstructure_fraction(i,micro) * myNgrains, pInt) ! do rounding integer conversion
@ -798,13 +811,13 @@ subroutine material_populateGrains
enddo enddo
NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one NgrainsOfConstituent(t) = NgrainsOfConstituent(t) + sgn ! change that by one
enddo enddo
! ----------------------------------------------------------------------------
phaseOfGrain = 0_pInt phaseOfGrain = 0_pInt
textureOfGrain = 0_pInt textureOfGrain = 0_pInt
orientationOfGrain = 0.0_pReal orientationOfGrain = 0.0_pReal
grain = 0_pInt ! reset microstructure grain index grain = 0_pInt ! reset microstructure grain index
do i = 1_pInt,microstructure_Nconstituents(micro) ! loop over constituents constituents: do i = 1_pInt,microstructure_Nconstituents(micro) ! loop over constituents
phaseID = microstructure_phase(i,micro) phaseID = microstructure_phase(i,micro)
textureID = microstructure_texture(i,micro) textureID = microstructure_texture(i,micro)
phaseOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase phaseOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
@ -814,9 +827,9 @@ subroutine material_populateGrains
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry) real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
constituentGrain = 0_pInt ! constituent grain index constituentGrain = 0_pInt ! constituent grain index
! --------- !--------------------------------------------------------------------------------------------------
if (texture_ODFfile(textureID) == '') then ! dealing with texture components ! dealing with texture components
! --------- if (texture_ODFfile(textureID) == '') then
do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
do g = 1_pInt,int(myNorientations*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count do g = 1_pInt,int(myNorientations*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = & orientationOfGrain(:,grain+constituentGrain+g) = &
@ -839,15 +852,14 @@ subroutine material_populateGrains
do j = constituentGrain+1_pInt,myNorientations ! fill remainder with random do j = constituentGrain+1_pInt,myNorientations ! fill remainder with random
orientationOfGrain(:,grain+j) = math_sampleRandomOri() orientationOfGrain(:,grain+j) = math_sampleRandomOri()
enddo enddo
! --------- else
else ! hybrid IA !--------------------------------------------------------------------------------------------------
! --------- ! hybrid IA
orientationOfGrain(:,grain+1:grain+myNorientations) = IO_hybridIA(myNorientations,texture_ODFfile(textureID)) orientationOfGrain(:,grain+1:grain+myNorientations) = IO_hybridIA(myNorientations,texture_ODFfile(textureID))
if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(156_pInt) if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(156_pInt)
constituentGrain = constituentGrain + myNorientations constituentGrain = constituentGrain + myNorientations
endif endif
! ----------------------------------------------------------------------------
symExtension = texture_symmetry(textureID) - 1_pInt symExtension = texture_symmetry(textureID) - 1_pInt
if (symExtension > 0_pInt) then ! sample symmetry if (symExtension > 0_pInt) then ! sample symmetry
constituentGrain = NgrainsOfConstituent(i)-myNorientations ! calc remainder of array constituentGrain = NgrainsOfConstituent(i)-myNorientations ! calc remainder of array
@ -864,10 +876,11 @@ subroutine material_populateGrains
endif endif
grain = grain + NgrainsOfConstituent(i) ! advance microstructure grain index grain = grain + NgrainsOfConstituent(i) ! advance microstructure grain index
enddo ! constituent enddo constituents
! ----------------------------------------------------------------------------
if (.not. microstructure_elemhomo(micro)) then ! unless element homogeneous, reshuffle grains ! unless element homogeneous, reshuffle grains
if (.not. microstructure_elemhomo(micro)) then
do i=1_pInt,myNgrains-1_pInt ! walk thru grains do i=1_pInt,myNgrains-1_pInt ! walk thru grains
call random_number(rnd) call random_number(rnd)
t = nint(rnd*(myNgrains-i)+i+0.5_pReal,pInt) ! select a grain in remaining list t = nint(rnd*(myNgrains-i)+i+0.5_pReal,pInt) ! select a grain in remaining list
@ -882,10 +895,9 @@ subroutine material_populateGrains
orientationOfGrain(:,i) = orientation orientationOfGrain(:,i) = orientation
enddo enddo
endif endif
!calc fraction after weighing with volumePerGrain
!exchange in MC steps to improve result...
! ---------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calc fraction after weighing with volumePerGrain, exchange in MC steps to improve result...
grain = 0_pInt grain = 0_pInt
do hme = 1_pInt, Nelems(homog,micro) do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(hme,homog,micro) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex e = elemsOfHomogMicro(hme,homog,micro) ! only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex

4
code/prec.f90
View File

@ -82,8 +82,8 @@ subroutine prec_init
implicit none implicit none
write(6,'(/,a)') '<<<+- prec init -+>>>' write(6,'(/,a)') ' <<<+- prec init -+>>>'
write(6,'(a)') '$Id$' write(6,'(a)') ' $Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
write(6,'(a,i3)') ' Bytes for pReal: ',pReal write(6,'(a,i3)') ' Bytes for pReal: ',pReal
write(6,'(a,i3)') ' Bytes for pInt: ',pInt write(6,'(a,i3)') ' Bytes for pInt: ',pInt