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bugfix: synchronizatopm of dPdF_min and dPdF_max was not correct 

-before: using componenwise min/max among different processors
-now:    identify the processor that holds the minimum/maximum of the
norm
This commit is contained in:
Martin Diehl 2019-03-07 07:01:09 +01:00
parent 507963d558
commit ae3de821b4
1 changed files with 269 additions and 276 deletions
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81
src/spectral_utilities.f90
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@ -584,7 +584,6 @@ end subroutine utilities_fourierGammaConvolution
!> @brief doing convolution DamageGreenOp_hat * field_real !> @brief doing convolution DamageGreenOp_hat * field_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT) subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
use math, only: & use math, only: &
math_mul33x3, & math_mul33x3, &
PI PI
@ -593,8 +592,8 @@ subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
grid3 grid3
implicit none implicit none
real(pReal), dimension(3,3), intent(in) :: D_ref !< desired average value of the field after convolution real(pReal), dimension(3,3), intent(in) :: D_ref
real(pReal), intent(in) :: mobility_ref, deltaT !< desired average value of the field after convolution real(pReal), intent(in) :: mobility_ref, deltaT
complex(pReal) :: GreenOp_hat complex(pReal) :: GreenOp_hat
integer(pInt) :: i, j, k integer(pInt) :: i, j, k
@ -696,7 +695,7 @@ real(pReal) function utilities_curlRMS()
-tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2)) -tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2))
enddo enddo
utilities_curlRMS = utilities_curlRMS & utilities_curlRMS = utilities_curlRMS &
+2.0_pReal*sum(real(curl_fourier)**2.0_pReal+aimag(curl_fourier)**2.0_pReal) ! Has somewhere a conj. complex counterpart. Therefore count it twice. +2.0_pReal*sum(real(curl_fourier)**2.0_pReal+aimag(curl_fourier)**2.0_pReal)! Has somewhere a conj. complex counterpart. Therefore count it twice.
enddo enddo
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) & curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) &
@ -817,9 +816,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced) write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
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')
endif endif
deallocate(c_reduced)
deallocate(s_reduced)
deallocate(sTimesC)
else else
temp99_real = 0.0_pReal temp99_real = 0.0_pReal
endif endif
@ -887,6 +883,7 @@ subroutine utilities_fourierVectorGradient()
tensorField_fourier(m,n,i,j,k) = vectorField_fourier(m,i,j,k)*xi1st(n,i,j,k) tensorField_fourier(m,n,i,j,k) = vectorField_fourier(m,i,j,k)*xi1st(n,i,j,k)
enddo; enddo enddo; enddo
enddo; enddo; enddo enddo; enddo; enddo
end subroutine utilities_fourierVectorGradient end subroutine utilities_fourierVectorGradient
@ -909,6 +906,7 @@ subroutine utilities_fourierTensorDivergence()
tensorField_fourier(m,n,i,j,k)*conjg(-xi1st(n,i,j,k)) tensorField_fourier(m,n,i,j,k)*conjg(-xi1st(n,i,j,k))
enddo; enddo enddo; enddo
enddo; enddo; enddo enddo; enddo; enddo
end subroutine utilities_fourierTensorDivergence end subroutine utilities_fourierTensorDivergence
@ -919,6 +917,8 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
F,timeinc,rotation_BC) F,timeinc,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: &
worldrank
use debug, only: & use debug, only: &
debug_reset, & debug_reset, &
debug_info debug_info
@ -938,38 +938,22 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness 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) :: P_av !< average PK stress
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< 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), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target !< previous deformation gradient
real(pReal), intent(in) :: timeinc !< loading time real(pReal), intent(in) :: timeinc !< loading time
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
integer(pInt) :: & integer(pInt) :: &
j,k,ierr i,ierr
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF real(pReal), dimension(3,3,3,3) :: dPdF_max, dPdF_min
real(pReal) :: max_dPdF_norm, min_dPdF_norm, defgradDetMin, defgradDetMax, defgradDet 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 ......................................' write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
flush(6) flush(6)
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
!--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report
if(debugGeneral) then
defgradDetMax = -huge(1.0_pReal)
defgradDetMin = +huge(1.0_pReal)
do j = 1_pInt, product(grid(1:2))*grid3
defgradDet = math_det33(materialpoint_F(1:3,1:3,1,j))
defgradDetMax = max(defgradDetMax,defgradDet)
defgradDetMin = min(defgradDetMin,defgradDet)
end do
write(6,'(a,1x,es11.4)') ' max determinant of deformation =', defgradDetMax
write(6,'(a,1x,es11.4)') ' min determinant of deformation =', defgradDetMin
flush(6)
endif
call debug_reset() ! this has no effect on rank >0 call debug_reset() ! this has no effect on rank >0
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
@ -984,30 +968,38 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
transpose(P_av)*1.e-6_pReal transpose(P_av)*1.e-6_pReal
flush(6) flush(6)
max_dPdF = 0.0_pReal dPdF_max = 0.0_pReal
max_dPdF_norm = 0.0_pReal dPdF_norm_max = 0.0_pReal
min_dPdF = huge(1.0_pReal) dPdF_min = huge(1.0_pReal)
min_dPdF_norm = huge(1.0_pReal) dPdF_norm_min = huge(1.0_pReal)
do k = 1_pInt, product(grid(1:2))*grid3 do i = 1_pInt, product(grid(1:2))*grid3
if (max_dPdF_norm < sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k)**2.0_pReal)) then if (dPdF_norm_max < sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)**2.0_pReal)) then
max_dPdF = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k) dPdF_max = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)
max_dPdF_norm = sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k)**2.0_pReal) dPdF_norm_max = sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)**2.0_pReal)
endif endif
if (min_dPdF_norm > sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k)**2.0_pReal)) then if (dPdF_norm_min > sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)**2.0_pReal)) then
min_dPdF = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k) dPdF_min = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)
min_dPdF_norm = sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,k)**2.0_pReal) dPdF_norm_min = sum(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,i)**2.0_pReal)
endif endif
end do end do
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr) 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_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max') if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr) call MPI_Bcast(dPdF_max,81,MPI_DOUBLE,int(valueAndRank(2)),PETSC_COMM_WORLD, ierr)
if (ierr /= 0_pInt) call IO_error(894_pInt, 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_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min') if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
call MPI_Bcast(dPdF_min,81,MPI_DOUBLE,int(valueAndRank(2)),PETSC_COMM_WORLD, ierr)
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Bcast min')
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF) C_minmaxAvg = 0.5_pReal*(dPdF_max + dPdF_min)
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt 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) call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
C_volAvg = C_volAvg * wgt
call debug_info() ! this has no effect on rank >0 call debug_info() ! this has no effect on rank >0
@ -1023,7 +1015,8 @@ pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
grid grid
implicit none implicit none
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon real(pReal), intent(in), dimension(3,3) :: &
avRate !< homogeneous addon
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
dt !< timeinc between field0 and field dt !< timeinc between field0 and field
logical, intent(in) :: & logical, intent(in) :: &