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DAMASK_EICMD
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cleaning

This commit is contained in:
Martin Diehl 2019-03-09 07:47:01 +01:00
parent 0d08659b2a
commit 66e6a6ec68
7 changed files with 99 additions and 139 deletions
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1
src/CPFEM2.f90
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@ -90,7 +90,6 @@ subroutine CPFEM_init
use prec, only: & use prec, only: &
pInt, pReal pInt, pReal
use IO, only: & use IO, only: &
IO_timeStamp, &
IO_error IO_error
use numerics, only: & use numerics, only: &
worldrank worldrank

10
src/DAMASK_FEM.f90
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@ -7,11 +7,6 @@
!> results !> results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
program DAMASK_FEM program DAMASK_FEM
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PetscDM use PetscDM
use prec, only: & use prec, only: &
@ -31,8 +26,7 @@ program DAMASK_FEM
IO_error, & IO_error, &
IO_lc, & IO_lc, &
IO_intOut, & IO_intOut, &
IO_warning, & IO_warning
IO_timeStamp
use math ! need to include the whole module for FFTW use math ! need to include the whole module for FFTW
use CPFEM2, only: & use CPFEM2, only: &
CPFEM_initAll CPFEM_initAll
@ -118,8 +112,6 @@ program DAMASK_FEM
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
! reading basic information from load case file and allocate data structure containing load cases ! reading basic information from load case file and allocate data structure containing load cases
call DMGetDimension(geomMesh,dimPlex,ierr)! CHKERRQ(ierr) !< dimension of mesh (2D or 3D) call DMGetDimension(geomMesh,dimPlex,ierr)! CHKERRQ(ierr) !< dimension of mesh (2D or 3D)

4
src/FEM_mech.f90
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@ -66,9 +66,7 @@ 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 FEM_mech_init(fieldBC) subroutine FEM_mech_init(fieldBC)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use IO, only: & use IO, only: &
IO_timeStamp, &
IO_error IO_error
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverJobName getSolverJobName
@ -111,8 +109,6 @@ subroutine FEM_mech_init(fieldBC)
PetscErrorCode :: ierr PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>' write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Setup FEM mech mesh ! Setup FEM mech mesh

8
src/homogenization_isostrain.f90
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@ -36,17 +36,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_init() subroutine homogenization_isostrain_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_HOMOGENIZATION, & debug_HOMOGENIZATION, &
debug_level, & debug_level, &
debug_levelBasic debug_levelBasic
use IO, only: & use IO, only: &
IO_timeStamp, &
IO_error IO_error
use material, only: & use material, only: &
homogenization_type, & homogenization_type, &
@ -67,8 +61,6 @@ subroutine homogenization_isostrain_init()
tag = '' tag = ''
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>' write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
Ninstance = int(count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID),pInt) Ninstance = int(count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID),pInt)
if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0_pInt) &

78
src/homogenization_none.f90
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@ -6,11 +6,11 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module homogenization_none module homogenization_none
implicit none implicit none
private private
public :: & public :: &
homogenization_none_init homogenization_none_init
contains contains
@ -18,52 +18,42 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_none_init() subroutine homogenization_none_init()
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 use debug, only: &
use, intrinsic :: iso_fortran_env, only: & debug_HOMOGENIZATION, &
compiler_version, & debug_level, &
compiler_options debug_levelBasic
#endif use config, only: &
use prec, only: & config_homogenization
pInt use material, only: &
use debug, only: & homogenization_type, &
debug_HOMOGENIZATION, & material_homog, &
debug_level, & homogState, &
debug_levelBasic HOMOGENIZATION_NONE_LABEL, &
use IO, only: & HOMOGENIZATION_NONE_ID
IO_timeStamp
use material, only: & implicit none
homogenization_type, & integer :: &
material_homog, & Ninstance, &
homogState, & h, &
HOMOGENIZATION_NONE_LABEL, & NofMyHomog
HOMOGENIZATION_NONE_ID
implicit none write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
integer(pInt) :: &
Ninstance, &
h, &
NofMyHomog
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>' Ninstance = count(homogenization_type == HOMOGENIZATION_NONE_ID)
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0) &
#include "compilation_info.f90" write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
Ninstance = int(count(homogenization_type == HOMOGENIZATION_NONE_ID),pInt) do h = 1, size(homogenization_type)
if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0_pInt) & if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
do h = 1_pInt, size(homogenization_type) NofMyHomog = count(material_homog == h)
if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle homogState(h)%sizeState = 0
homogState(h)%sizePostResults = 0
allocate(homogState(h)%state0 (0,NofMyHomog))
allocate(homogState(h)%subState0(0,NofMyHomog))
allocate(homogState(h)%state (0,NofMyHomog))
NofMyHomog = count(material_homog == h) enddo
homogState(h)%sizeState = 0_pInt
homogState(h)%sizePostResults = 0_pInt
allocate(homogState(h)%state0 (0_pInt,NofMyHomog))
allocate(homogState(h)%subState0(0_pInt,NofMyHomog))
allocate(homogState(h)%state (0_pInt,NofMyHomog))
enddo
end subroutine homogenization_none_init end subroutine homogenization_none_init

10
src/material.f90
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@ -280,14 +280,8 @@ contains
!> material.config !> material.config
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_init() subroutine material_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 debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_material, & debug_material, &
@ -321,8 +315,6 @@ subroutine material_init()
myDebug = debug_level(debug_material) myDebug = debug_level(debug_material)
write(6,'(/,a)') ' <<<+- material init -+>>>' write(6,'(/,a)') ' <<<+- material init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
call material_parsePhase() call material_parsePhase()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)

103
src/spectral_utilities.f90
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@ -503,64 +503,63 @@ end subroutine utilities_FFTvectorBackward
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim !> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_fourierGammaConvolution(fieldAim) subroutine utilities_fourierGammaConvolution(fieldAim)
use numerics, only: & use numerics, only: &
memory_efficient memory_efficient
use math, only: & use math, only: &
math_det33, & math_det33, &
math_invert math_invert2
use mesh, only: & use mesh, only: &
grid3, & grid3, &
grid, & grid, &
grid3Offset grid3Offset
implicit none implicit none
real(pReal), intent(in), dimension(3,3) :: fieldAim !< desired average value of the field after convolution 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 complex(pReal), dimension(3,3) :: temp33_complex, xiDyad_cmplx
real(pReal) :: matA(6,6), matInvA(6,6) real(pReal), dimension(6,6) :: A, A_inv
integer(pInt) :: & integer :: &
i, j, k, & i, j, k, &
l, m, n, o l, m, n, o
logical :: err logical :: err
write(6,'(/,a)') ' ... doing gamma convolution ...............................................' write(6,'(/,a)') ' ... doing gamma convolution ...............................................'
flush(6) flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation (mechanical equilibrium) ! do the actual spectral method calculation (mechanical equilibrium)
memoryEfficient: if(memory_efficient) then memoryEfficient: if(memory_efficient) then
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red do k = 1, grid3; do j = 1, grid(2); do i = 1, grid1Red
if (any([i,j,k+grid3Offset] /= 1_pInt)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1 if (any([i,j,k+grid3Offset] /= 1)) then ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) & forall(l = 1:3, m = 1:3) &
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k))*xi1st(m,i,j,k) xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k))*xi1st(m,i,j,k)
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) & forall(l = 1:3, m = 1:3) &
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx) temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
matA(1:3,1:3) = real(temp33_complex); matA(4:6,4:6) = real(temp33_complex) A(1:3,1:3) = real(temp33_complex); A(4:6,4:6) = real(temp33_complex)
matA(1:3,4:6) = aimag(temp33_complex); matA(4:6,1:3) = -aimag(temp33_complex) A(1:3,4:6) = aimag(temp33_complex); A(4:6,1:3) = -aimag(temp33_complex)
if (abs(math_det33(matA(1:3,1:3))) > 1e-16) then if (abs(math_det33(A(1:3,1:3))) > 1e-16) then
call math_invert(6_pInt, matA, matInvA, err) call math_invert2(A_inv, err, A)
temp33_complex = cmplx(matInvA(1:3,1:3),matInvA(1:3,4:6),pReal) temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
forall(l=1_pInt:3_pInt, m=1_pInt:3_pInt, n=1_pInt:3_pInt, o=1_pInt:3_pInt) & 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) 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) gamma_hat(1:3,1:3,1:3,1:3,1,1,1) = cmplx(0.0_pReal,0.0_pReal,pReal)
endif endif
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) & forall(l = 1:3, m = 1:3) &
temp33_Complex(l,m) = sum(gamma_hat(l,m,1:3,1:3,1,1,1)*tensorField_fourier(1:3,1:3,i,j,k)) temp33_Complex(l,m) = sum(gamma_hat(l,m,1:3,1:3,1,1,1)*tensorField_fourier(1:3,1:3,i,j,k))
tensorField_fourier(1:3,1:3,i,j,k) = temp33_Complex tensorField_fourier(1:3,1:3,i,j,k) = temp33_Complex
endif endif
enddo; enddo; enddo enddo; enddo; enddo
else memoryEfficient else memoryEfficient
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt,grid1Red do k = 1, grid3; do j = 1, grid(2); do i = 1,grid1Red
forall(l = 1_pInt:3_pInt, m = 1_pInt:3_pInt) & forall(l = 1:3, m = 1:3) &
temp33_Complex(l,m) = sum(gamma_hat(l,m,1:3,1:3,i,j,k) * tensorField_fourier(1:3,1:3,i,j,k)) temp33_Complex(l,m) = sum(gamma_hat(l,m,1:3,1:3,i,j,k) * tensorField_fourier(1:3,1:3,i,j,k))
tensorField_fourier(1:3,1:3,i,j,k) = temp33_Complex tensorField_fourier(1:3,1:3,i,j,k) = temp33_Complex
enddo; enddo; enddo enddo; enddo; enddo
endif memoryEfficient endif memoryEfficient
if (grid3Offset == 0_pInt) & if (grid3Offset == 0) tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim/wgt,0.0_pReal,pReal)
tensorField_fourier(1:3,1:3,1,1,1) = cmplx(fieldAim/wgt,0.0_pReal,pReal)
end subroutine utilities_fourierGammaConvolution end subroutine utilities_fourierGammaConvolution
@ -725,7 +724,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
math_99to3333, & math_99to3333, &
math_rotate_forward3333, & math_rotate_forward3333, &
math_rotate_forward33, & math_rotate_forward33, &
math_invert math_invert2
implicit none implicit none
real(pReal), dimension(3,3,3,3) :: utilities_maskedCompliance !< masked compliance real(pReal), dimension(3,3,3,3) :: utilities_maskedCompliance !< masked compliance
@ -768,7 +767,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
c_reduced(k,j) = temp99_Real(n,m) c_reduced(k,j) = temp99_Real(n,m)
endif; enddo; endif; enddo endif; enddo; endif; enddo
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness call math_invert2(s_reduced, errmatinv, c_reduced) ! invert reduced stiffness
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true. if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
if (errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance') if (errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
temp99_Real = 0.0_pReal ! fill up compliance with zeros temp99_Real = 0.0_pReal ! fill up compliance with zeros