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DAMASK_EICMD
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adjusting names

This commit is contained in:
Martin Diehl 2019-03-11 23:37:06 +01:00
parent 23043da98c
commit 011af1f686
2 changed files with 51 additions and 45 deletions
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10
src/DAMASK_grid.f90
View File

@ -80,7 +80,7 @@ program DAMASK_spectral
use spectral_mech_Basic use spectral_mech_Basic
use spectral_mech_Polarisation use spectral_mech_Polarisation
use spectral_damage use spectral_damage
use spectral_thermal use grid_thermal_spectral
use results use results
implicit none implicit none
@ -365,7 +365,7 @@ program DAMASK_spectral
call mech_init call mech_init
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID)
call spectral_thermal_init call grid_thermal_spectral_init
case(FIELD_DAMAGE_ID) case(FIELD_DAMAGE_ID)
call spectral_damage_init call spectral_damage_init
@ -510,8 +510,8 @@ program DAMASK_spectral
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case(FIELD_THERMAL_ID); call spectral_thermal_forward() case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward
case(FIELD_DAMAGE_ID); call spectral_damage_forward() case(FIELD_DAMAGE_ID); call spectral_damage_forward
end select end select
enddo enddo
@ -529,7 +529,7 @@ program DAMASK_spectral
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID)
solres(field) = spectral_thermal_solution(timeinc,timeIncOld,remainingLoadCaseTime) solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld,remainingLoadCaseTime)
case(FIELD_DAMAGE_ID) case(FIELD_DAMAGE_ID)
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime) solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)

78
src/grid_thermal_spectral.f90
View File

@ -3,7 +3,7 @@
!> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH !> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Spectral solver for thermal conduction !> @brief Spectral solver for thermal conduction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module spectral_thermal module grid_thermal_spectral
#include <petsc/finclude/petscsnes.h> #include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h> #include <petsc/finclude/petscdmda.h>
use PETScdmda use PETScdmda
@ -17,9 +17,6 @@ module spectral_thermal
implicit none implicit none
private private
character (len=*), parameter, public :: &
spectral_thermal_label = 'spectralthermal'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
type(tSolutionParams), private :: params type(tSolutionParams), private :: params
@ -27,7 +24,7 @@ module spectral_thermal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
SNES, private :: thermal_snes SNES, private :: thermal_snes
Vec, private :: solution Vec, private :: solution_vec
PetscInt, private :: xstart, xend, ystart, yend, zstart, zend PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
real(pReal), private, dimension(:,:,:), allocatable :: & real(pReal), private, dimension(:,:,:), allocatable :: &
temperature_current, & !< field of current temperature temperature_current, & !< field of current temperature
@ -41,16 +38,16 @@ module spectral_thermal
real(pReal), private :: mobility_ref real(pReal), private :: mobility_ref
public :: & public :: &
spectral_thermal_init, & grid_thermal_spectral_init, &
spectral_thermal_solution, & grid_thermal_spectral_solution, &
spectral_thermal_forward grid_thermal_spectral_forward
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info !> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_thermal_init subroutine grid_thermal_spectral_init
use spectral_utilities, only: & use spectral_utilities, only: &
wgt wgt
use mesh, only: & use mesh, only: &
@ -66,7 +63,8 @@ subroutine spectral_thermal_init
thermalMapping thermalMapping
use numerics, only: & use numerics, only: &
worldrank, & worldrank, &
worldsize worldsize, &
petsc_options
implicit none implicit none
integer, dimension(worldsize) :: localK integer, dimension(worldsize) :: localK
@ -75,11 +73,18 @@ subroutine spectral_thermal_init
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal
PetscErrorCode :: ierr PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>' write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' 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' write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc ! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr) call SNESCreate(PETSC_COMM_WORLD,thermal_snes,ierr); CHKERRQ(ierr)
@ -99,8 +104,8 @@ subroutine spectral_thermal_init
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr) call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr) call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor) call DMCreateGlobalVector(thermal_grid,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,& call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,grid_thermal_spectral_formResidual,&
PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
@ -123,9 +128,9 @@ subroutine spectral_thermal_init
temperature_lastInc(i,j,k) = temperature_current(i,j,k) temperature_lastInc(i,j,k) = temperature_current(i,j,k)
temperature_stagInc(i,j,k) = temperature_current(i,j,k) temperature_stagInc(i,j,k) = temperature_current(i,j,k)
enddo; enddo; enddo enddo; enddo; enddo
call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with call DMDAVecGetArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! thermal reference diffusion update ! thermal reference diffusion update
@ -143,12 +148,12 @@ subroutine spectral_thermal_init
mobility_ref = mobility_ref*wgt mobility_ref = mobility_ref*wgt
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
end subroutine spectral_thermal_init end subroutine grid_thermal_spectral_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the spectral thermal scheme with internal iterations !> @brief solution for the spectral thermal scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,loadCaseTime) function grid_thermal_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(solution)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
err_thermal_tolAbs, & err_thermal_tolAbs, &
@ -166,36 +171,36 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
timeinc_old, & !< increment in time of last increment timeinc_old, & !< increment in time of last increment
loadCaseTime !< remaining time of current load case loadCaseTime !< remaining time of current load case
integer :: i, j, k, cell integer :: i, j, k, cell
type(tSolutionState) :: solution
PetscInt :: position PetscInt :: position
PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm PetscReal :: minTemperature, maxTemperature, stagNorm, solnNorm
PetscErrorCode :: ierr PetscErrorCode :: ierr
SNESConvergedReason :: reason SNESConvergedReason :: reason
spectral_thermal_solution%converged =.false. solution%converged =.false.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set module wide availabe data ! set module wide availabe data
params%timeinc = timeinc params%timeinc = timeinc
params%timeincOld = timeinc_old params%timeincOld = timeinc_old
call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) call SNESSolve(thermal_snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
if (reason < 1) then if (reason < 1) then
spectral_thermal_solution%converged = .false. solution%converged = .false.
spectral_thermal_solution%iterationsNeeded = itmax solution%iterationsNeeded = itmax
else else
spectral_thermal_solution%converged = .true. solution%converged = .true.
spectral_thermal_solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
endif endif
stagNorm = maxval(abs(temperature_current - temperature_stagInc)) stagNorm = maxval(abs(temperature_current - temperature_stagInc))
solnNorm = maxval(abs(temperature_current)) solnNorm = maxval(abs(temperature_current))
call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
temperature_stagInc = temperature_current temperature_stagInc = temperature_current
spectral_thermal_solution%stagConverged = stagNorm < err_thermal_tolAbs & solution%stagConverged = stagNorm < min(err_thermal_tolAbs, err_thermal_tolRel*solnNorm)
.or. stagNorm < err_thermal_tolRel*solnNorm
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! updating thermal state ! updating thermal state
@ -207,22 +212,22 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
1,cell) 1,cell)
enddo; enddo; enddo enddo; enddo; enddo
call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr) call VecMin(solution_vec,position,minTemperature,ierr); CHKERRQ(ierr)
call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr) call VecMax(solution_vec,position,maxTemperature,ierr); CHKERRQ(ierr)
if (spectral_thermal_solution%converged) & if (solution%converged) &
write(6,'(/,a)') ' ... thermal conduction converged ..................................' write(6,'(/,a)') ' ... thermal conduction converged ..................................'
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',& write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
minTemperature, maxTemperature, stagNorm minTemperature, maxTemperature, stagNorm
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end function spectral_thermal_solution end function grid_thermal_spectral_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forms the spectral thermal residual vector !> @brief forms the spectral thermal residual vector
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr) subroutine grid_thermal_spectral_formResidual(in,x_scal,f_scal,dummy,ierr)
use mesh, only: & use mesh, only: &
grid, & grid, &
grid3 grid3
@ -297,12 +302,13 @@ subroutine spectral_thermal_formResidual(in,x_scal,f_scal,dummy,ierr)
! constructing residual ! constructing residual
f_scal = temperature_current - scalarField_real(1:grid(1),1:grid(2),1:grid3) f_scal = temperature_current - scalarField_real(1:grid(1),1:grid(2),1:grid3)
end subroutine spectral_thermal_formResidual end subroutine grid_thermal_spectral_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_thermal_forward() subroutine grid_thermal_spectral_forward()
use mesh, only: & use mesh, only: &
grid, & grid, &
grid3 grid3
@ -329,9 +335,9 @@ subroutine spectral_thermal_forward()
! reverting thermal field state ! reverting thermal field state
cell = 0 cell = 0
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr) call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
call DMDAVecRestoreArrayF90(dm_local,solution,x_scal,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1 cell = cell + 1
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), & call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
@ -358,6 +364,6 @@ subroutine spectral_thermal_forward()
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
endif endif
end subroutine spectral_thermal_forward end subroutine grid_thermal_spectral_forward
end module spectral_thermal end module grid_thermal_spectral