223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

simpler structure: 

- do not read file
- use function for allocation
- do not constantly convert (3,3) <-> (6)
This commit is contained in:
Martin Diehl 2019-02-22 15:37:42 +01:00
parent af4ea76006
commit e7268ce109
4 changed files with 35 additions and 142 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
src/constitutive.f90
View File

@ -38,11 +38,6 @@ contains
!> @brief allocates arrays pointing to array of the various constitutive modules !> @brief allocates arrays pointing to array of the various constitutive modules
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_init() subroutine constitutive_init()
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal pReal
use debug, only: & use debug, only: &
@ -55,8 +50,7 @@ subroutine constitutive_init()
IO_open_file, & IO_open_file, &
IO_checkAndRewind, & IO_checkAndRewind, &
IO_open_jobFile_stat, & IO_open_jobFile_stat, &
IO_write_jobFile, & IO_write_jobFile
IO_timeStamp
use config, only: & use config, only: &
config_phase config_phase
use config, only: & use config, only: &
@ -158,7 +152,7 @@ subroutine constitutive_init()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parse source mechanisms from config file ! parse source mechanisms from config file
call IO_checkAndRewind(FILEUNIT) call IO_checkAndRewind(FILEUNIT)
if (any(phase_source == SOURCE_thermal_dissipation_ID)) call source_thermal_dissipation_init(FILEUNIT) if (any(phase_source == SOURCE_thermal_dissipation_ID)) call source_thermal_dissipation_init
if (any(phase_source == SOURCE_thermal_externalheat_ID)) call source_thermal_externalheat_init(FILEUNIT) if (any(phase_source == SOURCE_thermal_externalheat_ID)) call source_thermal_externalheat_init(FILEUNIT)
if (any(phase_source == SOURCE_damage_isoBrittle_ID)) call source_damage_isoBrittle_init if (any(phase_source == SOURCE_damage_isoBrittle_ID)) call source_damage_isoBrittle_init
if (any(phase_source == SOURCE_damage_isoDuctile_ID)) call source_damage_isoDuctile_init if (any(phase_source == SOURCE_damage_isoDuctile_ID)) call source_damage_isoDuctile_init
@ -176,8 +170,6 @@ subroutine constitutive_init()
call config_deallocate('material.config/phase') call config_deallocate('material.config/phase')
write(6,'(/,a)') ' <<<+- constitutive init -+>>>' write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
mainProcess: if (worldrank == 0) then mainProcess: if (worldrank == 0) then
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

133
src/source_thermal_dissipation.f90
View File

@ -47,30 +47,13 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_init(fileUnit) subroutine source_thermal_dissipation_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&
debug_levelBasic debug_levelBasic
use IO, only: &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_warning, &
IO_error, &
IO_timeStamp, &
IO_EOF
use material, only: & use material, only: &
material_allocateSourceState, &
phase_source, & phase_source, &
phase_Nsources, & phase_Nsources, &
phase_Noutput, & phase_Noutput, &
@ -82,23 +65,13 @@ subroutine source_thermal_dissipation_init(fileUnit)
config_phase, & config_phase, &
material_Nphase, & material_Nphase, &
MATERIAL_partPhase MATERIAL_partPhase
use numerics,only: &
numerics_integrator
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt) :: Ninstance,instance,source,sourceOffset
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: Ninstance,phase,instance,source,sourceOffset
integer(pInt) :: sizeState, sizeDotState, sizeDeltaState
integer(pInt) :: NofMyPhase,p integer(pInt) :: NofMyPhase,p
character(len=65536) :: &
tag = '', &
line = ''
write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_dissipation_label//' init -+>>>' write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_dissipation_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
Ninstance = int(count(phase_source == SOURCE_thermal_dissipation_ID),pInt) Ninstance = int(count(phase_source == SOURCE_thermal_dissipation_ID),pInt)
if (Ninstance == 0_pInt) return if (Ninstance == 0_pInt) return
@ -107,11 +80,11 @@ subroutine source_thermal_dissipation_init(fileUnit)
allocate(source_thermal_dissipation_offset(material_Nphase), source=0_pInt) allocate(source_thermal_dissipation_offset(material_Nphase), source=0_pInt)
allocate(source_thermal_dissipation_instance(material_Nphase), source=0_pInt) allocate(source_thermal_dissipation_instance(material_Nphase), source=0_pInt)
do phase = 1, material_Nphase do p = 1, material_Nphase
source_thermal_dissipation_instance(phase) = count(phase_source(:,1:phase) == SOURCE_thermal_dissipation_ID) source_thermal_dissipation_instance(p) = count(phase_source(:,1:p) == SOURCE_thermal_dissipation_ID)
do source = 1, phase_Nsources(phase) do source = 1, phase_Nsources(p)
if (phase_source(source,phase) == SOURCE_thermal_dissipation_ID) & if (phase_source(source,p) == SOURCE_thermal_dissipation_ID) &
source_thermal_dissipation_offset(phase) = source source_thermal_dissipation_offset(p) = source
enddo enddo
enddo enddo
@ -124,88 +97,31 @@ subroutine source_thermal_dissipation_init(fileUnit)
allocate(source_thermal_dissipation_coldworkCoeff(Ninstance), source=0.0_pReal) allocate(source_thermal_dissipation_coldworkCoeff(Ninstance), source=0.0_pReal)
do p=1, size(config_phase) do p=1, size(config_phase)
if (all(phase_source(:,p) /= SOURCE_thermal_dissipation_ID)) cycle if (all(phase_source(:,p) /= SOURCE_THERMAL_DISSIPATION_ID)) cycle
instance = source_thermal_dissipation_instance(p)
source_thermal_dissipation_coldworkCoeff(instance) = config_phase(p)%getFloat('dissipation_coldworkcoeff')
NofMyPhase=count(material_phase==p)
sourceOffset = source_thermal_dissipation_offset(p)
call material_allocateSourceState(p,sourceOffset,NofMyPhase,0_pInt,0_pInt,0_pInt)
enddo enddo
rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit)
enddo
parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next phase section
phase = phase + 1_pInt ! advance phase section counter
cycle ! skip to next line
endif
if (phase > 0_pInt ) then; if (any(phase_source(:,phase) == SOURCE_thermal_dissipation_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
instance = source_thermal_dissipation_instance(phase) ! which instance of my source is present phase
chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag)
case ('dissipation_coldworkcoeff')
source_thermal_dissipation_coldworkCoeff(instance) = IO_floatValue(line,chunkPos,2_pInt)
end select
endif; endif
enddo parsingFile
initializeInstances: do phase = 1_pInt, material_Nphase
if (any(phase_source(:,phase) == SOURCE_thermal_dissipation_ID)) then
NofMyPhase=count(material_phase==phase)
instance = source_thermal_dissipation_instance(phase)
sourceOffset = source_thermal_dissipation_offset(phase)
sizeDotState = 0_pInt
sizeDeltaState = 0_pInt
sizeState = 0_pInt
sourceState(phase)%p(sourceOffset)%sizeState = sizeState
sourceState(phase)%p(sourceOffset)%sizeDotState = sizeDotState
sourceState(phase)%p(sourceOffset)%sizeDeltaState = sizeDeltaState
sourceState(phase)%p(sourceOffset)%sizePostResults = source_thermal_dissipation_sizePostResults(instance)
allocate(sourceState(phase)%p(sourceOffset)%aTolState (sizeState), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%state (sizeState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 1_pInt)) then
allocate(sourceState(phase)%p(sourceOffset)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
allocate(sourceState(phase)%p(sourceOffset)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
endif
if (any(numerics_integrator == 4_pInt)) &
allocate(sourceState(phase)%p(sourceOffset)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
if (any(numerics_integrator == 5_pInt)) &
allocate(sourceState(phase)%p(sourceOffset)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal)
endif
enddo initializeInstances
end subroutine source_thermal_dissipation_init end subroutine source_thermal_dissipation_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns local vacancy generation rate !> @brief returns local vacancy generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar_v, Lp, phase, constituent) subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar, Lp, phase)
use math, only: & use math, only: &
math_Mandel6to33 math_Mandel6to33
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
phase, & phase
constituent real(pReal), intent(in), dimension(3,3) :: &
real(pReal), intent(in), dimension(6) :: & Tstar !< 2nd Piola Kirchhoff stress tensor (Mandel)
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Lp Lp
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
@ -216,8 +132,7 @@ subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar
instance = source_thermal_dissipation_instance(phase) instance = source_thermal_dissipation_instance(phase)
TDot = source_thermal_dissipation_coldworkCoeff(instance)* & TDot = source_thermal_dissipation_coldworkCoeff(instance)*sum(abs(Tstar*Lp))
sum(abs(math_Mandel6to33(Tstar_v)*Lp))
dTDOT_dT = 0.0_pReal dTDOT_dT = 0.0_pReal
end subroutine source_thermal_dissipation_getRateAndItsTangent end subroutine source_thermal_dissipation_getRateAndItsTangent

16
src/thermal_adiabatic.f90
View File

@ -43,14 +43,8 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_adiabatic_init subroutine thermal_adiabatic_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_error, & IO_error
IO_timeStamp
use material, only: & use material, only: &
thermal_type, & thermal_type, &
thermal_typeInstance, & thermal_typeInstance, &
@ -76,8 +70,6 @@ subroutine thermal_adiabatic_init
character(len=65536), dimension(:), allocatable :: outputs character(len=65536), dimension(:), allocatable :: outputs
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_ADIABATIC_label//' init -+>>>' write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_ADIABATIC_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
maxNinstance = int(count(thermal_type == THERMAL_adiabatic_ID),pInt) maxNinstance = int(count(thermal_type == THERMAL_adiabatic_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return
@ -174,6 +166,8 @@ end function thermal_adiabatic_updateState
!> @brief returns heat generation rate !> @brief returns heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el) subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
use math, only: &
math_6toSym33
use material, only: & use material, only: &
homogenization_Ngrains, & homogenization_Ngrains, &
mappingHomogenization, & mappingHomogenization, &
@ -222,9 +216,9 @@ subroutine thermal_adiabatic_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
select case(phase_source(source,phase)) select case(phase_source(source,phase))
case (SOURCE_thermal_dissipation_ID) case (SOURCE_thermal_dissipation_ID)
call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
crystallite_Tstar_v(1:6,grain,ip,el), & math_6toSym33(crystallite_Tstar_v(1:6,grain,ip,el)), &
crystallite_Lp(1:3,1:3,grain,ip,el), & crystallite_Lp(1:3,1:3,grain,ip,el), &
phase, constituent) phase)
case (SOURCE_thermal_externalheat_ID) case (SOURCE_thermal_externalheat_ID)
call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &

16
src/thermal_conduction.f90
View File

@ -44,14 +44,8 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_init subroutine thermal_conduction_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_error, & IO_error
IO_timeStamp
use material, only: & use material, only: &
thermal_type, & thermal_type, &
thermal_typeInstance, & thermal_typeInstance, &
@ -77,8 +71,6 @@ subroutine thermal_conduction_init
character(len=65536), dimension(:), allocatable :: outputs character(len=65536), dimension(:), allocatable :: outputs
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_CONDUCTION_label//' init -+>>>' write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_CONDUCTION_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
maxNinstance = int(count(thermal_type == THERMAL_conduction_ID),pInt) maxNinstance = int(count(thermal_type == THERMAL_conduction_ID),pInt)
if (maxNinstance == 0_pInt) return if (maxNinstance == 0_pInt) return
@ -130,7 +122,7 @@ end subroutine thermal_conduction_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el) subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
use math, only: & use math, only: &
math_Mandel6to33 math_6toSym33
use material, only: & use material, only: &
homogenization_Ngrains, & homogenization_Ngrains, &
mappingHomogenization, & mappingHomogenization, &
@ -181,9 +173,9 @@ subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
select case(phase_source(source,phase)) select case(phase_source(source,phase))
case (SOURCE_thermal_dissipation_ID) case (SOURCE_thermal_dissipation_ID)
call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
crystallite_Tstar_v(1:6,grain,ip,el), & math_6toSym33(crystallite_Tstar_v(1:6,grain,ip,el)), &
crystallite_Lp(1:3,1:3,grain,ip,el), & crystallite_Lp(1:3,1:3,grain,ip,el), &
phase, constituent) phase)
case (SOURCE_thermal_externalheat_ID) case (SOURCE_thermal_externalheat_ID)
call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &