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DAMASK_EICMD
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forgotten renames in subfolders

This commit is contained in:
Martin Diehl 2020-09-22 13:02:33 +02:00
parent f26c3ca1ea
commit 53ce4e07d2
11 changed files with 59 additions and 59 deletions
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24
src/grid/DAMASK_grid.f90
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@ -99,7 +99,7 @@ program DAMASK_grid
! init DAMASK (all modules)
call CPFEM_initAll
print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(OUTPUT_UNIT)
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
@ -279,11 +279,11 @@ program DAMASK_grid
endif
do i = 1, 3; do j = 1, 3
if(newLoadCase%deformation%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
write(OUTPUT_UNIT,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
else
write(6,'(2x,12a)',advance='no') ' * '
write(OUTPUT_UNIT,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo; write(OUTPUT_UNIT,'(/)',advance='no')
enddo
if (any(newLoadCase%stress%maskLogical .eqv. &
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
@ -292,17 +292,17 @@ program DAMASK_grid
print*, ' stress / GPa:'
do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
write(OUTPUT_UNIT,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
else
write(6,'(2x,12a)',advance='no') ' * '
write(OUTPUT_UNIT,'(2x,12a)',advance='no') ' * '
endif
enddo; write(6,'(/)',advance='no')
enddo; write(OUTPUT_UNIT,'(/)',advance='no')
enddo
if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain
if (any(dNeq(newLoadCase%rot%asMatrix(), math_I3))) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
write(OUTPUT_UNIT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
print'(a,f0.3)', ' time: ', newLoadCase%time
@ -342,7 +342,7 @@ program DAMASK_grid
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (debug_grid%contains('basic')) print'(/,a)', ' header of statistics file written out'
flush(6)
flush(OUTPUT_UNIT)
else writeHeader
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD')
@ -405,7 +405,7 @@ program DAMASK_grid
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-', stepFraction,'/',subStepFactor**cutBackLevel
flush(6)
flush(OUTPUT_UNIT)
!--------------------------------------------------------------------------------------------------
! forward fields
@ -489,11 +489,11 @@ program DAMASK_grid
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
endif; flush(OUTPUT_UNIT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
print'(1/,a)', ' ... writing results to file ......................................'
flush(6)
flush(OUTPUT_UNIT)
call CPFEM_results(totalIncsCounter,time)
endif
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then

2
src/grid/discretization_grid.f90
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@ -65,7 +65,7 @@ subroutine discretization_grid_init(restart)
integer(C_INTPTR_T) :: &
devNull, z, z_offset
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(6)
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(OUTPUT_UNIT)
if(index(interface_geomFile,'.vtr') /= 0) then
call readVTR(grid,geomSize,origin,microstructureAt)

4
src/grid/grid_damage_spectral.f90
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@ -205,10 +205,10 @@ function grid_damage_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
print'(/,a)', ' ... nonlocal damage converged .....................................'
write(6,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
write(OUTPUT_UNIT,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
phi_min, phi_max, stagNorm
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end function grid_damage_spectral_solution

12
src/grid/grid_mech_FEM.f90
View File

@ -122,7 +122,7 @@ subroutine grid_mech_FEM_init
PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc
print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(OUTPUT_UNIT)
!-----------------------------------------------------------------------------------------------
! debugging options
@ -413,7 +413,7 @@ subroutine grid_mech_FEM_restartWrite
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
print*, 'writing solver data required for restart to file'; flush(6)
print*, 'writing solver data required for restart to file'; flush(OUTPUT_UNIT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -481,7 +481,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end subroutine converged
@ -517,11 +517,11 @@ subroutine formResidual(da_local,x_local, &
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(OUTPUT_UNIT)
endif newIteration
!--------------------------------------------------------------------------------------------------

12
src/grid/grid_mech_spectral_basic.f90
View File

@ -109,7 +109,7 @@ subroutine grid_mech_spectral_basic_init
character(len=pStringLen) :: &
fileName
print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(OUTPUT_UNIT)
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
@ -375,7 +375,7 @@ subroutine grid_mech_spectral_basic_restartWrite
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
print'(a)', ' writing solver data required for restart to file'; flush(6)
print'(a)', ' writing solver data required for restart to file'; flush(OUTPUT_UNIT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -441,7 +441,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end subroutine converged
@ -475,11 +475,11 @@ subroutine formResidual(in, F, &
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(OUTPUT_UNIT)
endif newIteration
!--------------------------------------------------------------------------------------------------

12
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -123,7 +123,7 @@ subroutine grid_mech_spectral_polarisation_init
character(len=pStringLen) :: &
fileName
print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(OUTPUT_UNIT)
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
@ -433,7 +433,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:)
print*, 'writing solver data required for restart to file'; flush(6)
print*, 'writing solver data required for restart to file'; flush(OUTPUT_UNIT)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w')
@ -505,7 +505,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end subroutine converged
@ -559,11 +559,11 @@ subroutine formResidual(in, FandF_tau, &
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if(debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim =', transpose(F_aim)
flush(6)
flush(OUTPUT_UNIT)
endif newIteration
!--------------------------------------------------------------------------------------------------

4
src/grid/grid_thermal_spectral.f90
View File

@ -199,10 +199,10 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
print'(/,a)', ' ... thermal conduction converged ..................................'
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
write(OUTPUT_UNIT,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
T_min, T_max, stagNorm
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end function grid_thermal_spectral_solution

32
src/grid/spectral_utilities.f90
View File

@ -211,7 +211,7 @@ subroutine spectral_utilities_init
if(debugPETSc) print'(3(/,a),/)', &
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
' add more using the PETSc_Options keyword in numerics.yaml '; flush(OUTPUT_UNIT)
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
@ -280,7 +280,7 @@ subroutine spectral_utilities_init
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
print*, 'FFTW initialized'; flush(6)
print*, 'FFTW initialized'; flush(OUTPUT_UNIT)
!--------------------------------------------------------------------------------------------------
! MPI allocation
@ -507,7 +507,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
print'(/,a)', ' ... doing gamma convolution ...............................................'
flush(6)
flush(OUTPUT_UNIT)
!--------------------------------------------------------------------------------------------------
! do the actual spectral method calculation (mechanical equilibrium)
@ -577,7 +577,7 @@ real(pReal) function utilities_divergenceRMS()
complex(pReal), dimension(3) :: rescaledGeom
print'(/,a)', ' ... calculating divergence ................................................'
flush(6)
flush(OUTPUT_UNIT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -621,7 +621,7 @@ real(pReal) function utilities_curlRMS()
complex(pReal), dimension(3) :: rescaledGeom
print'(/,a)', ' ... calculating curl ......................................................'
flush(6)
flush(OUTPUT_UNIT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -701,9 +701,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
if(debugGeneral) then
print'(/,a)', ' ... updating masked compliance ............................................'
write(6,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
write(OUTPUT_UNIT,'(/,a,/,9(9(2x,f12.7,1x)/))',advance='no') ' Stiffness C (load) / GPa =',&
transpose(temp99_Real)*1.0e-9_pReal
flush(6)
flush(OUTPUT_UNIT)
endif
do i = 1,9; do j = 1,9
@ -723,9 +723,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
if (debugGeneral .or. errmatinv) then
write(formatString, '(i2)') size_reduced
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
write(6,trim(formatString),advance='no') ' C * S (load) ', &
write(OUTPUT_UNIT,trim(formatString),advance='no') ' C * S (load) ', &
transpose(matmul(c_reduced,s_reduced))
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
write(OUTPUT_UNIT,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
endif
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
@ -736,9 +736,9 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
utilities_maskedCompliance = math_99to3333(temp99_Real)
if(debugGeneral) then
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
write(OUTPUT_UNIT,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
flush(6)
flush(OUTPUT_UNIT)
endif
end function utilities_maskedCompliance
@ -823,7 +823,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
print'(/,a)', ' ... evaluating constitutive response ......................................'
flush(6)
flush(OUTPUT_UNIT)
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
@ -833,13 +833,13 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (debugRotation) &
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
write(OUTPUT_UNIT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
transpose(P_av)*1.e-6_pReal
if(present(rotation_BC)) &
P_av = rotation_BC%rotate(P_av)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
write(OUTPUT_UNIT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
flush(OUTPUT_UNIT)
dPdF_max = 0.0_pReal
dPdF_norm_max = 0.0_pReal
@ -1095,7 +1095,7 @@ subroutine utilities_saveReferenceStiffness
fileUnit,ierr
if (worldrank == 0) then
print'(a)', ' writing reference stiffness data required for restart to file'; flush(6)
print'(a)', ' writing reference stiffness data required for restart to file'; flush(OUTPUT_UNIT)
open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
status='replace',access='stream',action='write',iostat=ierr)
if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')

6
src/mesh/DAMASK_mesh.f90
View File

@ -78,7 +78,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
print'(/,a)', ' <<<+- DAMASK_mesh init -+>>>'; flush(6)
print'(/,a)', ' <<<+- DAMASK_mesh init -+>>>'; flush(OUTPUT_UNIT)
!---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks
@ -299,7 +299,7 @@ program DAMASK_mesh
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-',stepFraction, '/', subStepFactor**cutBackLevel
flush(6)
flush(OUTPUT_UNIT)
!--------------------------------------------------------------------------------------------------
! forward fields
@ -363,7 +363,7 @@ program DAMASK_mesh
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
endif; flush(OUTPUT_UNIT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
print'(/,a)', ' ... writing results to file ......................................'

2
src/mesh/FEM_utilities.f90
View File

@ -122,7 +122,7 @@ subroutine FEM_utilities_init
' Initializing PETSc with debug options: ', &
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml '
flush(6)
flush(OUTPUT_UNIT)
call PetscOptionsClear(PETSC_NULL_OPTIONS,ierr)
CHKERRQ(ierr)
if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)

8
src/mesh/mesh_mech_FEM.f90
View File

@ -110,7 +110,7 @@ subroutine FEM_mech_init(fieldBC)
class(tNode), pointer :: &
num_mesh
print'(/,a)', ' <<<+- FEM_mech init -+>>>'; flush(6)
print'(/,a)', ' <<<+- FEM_mech init -+>>>'; flush(OUTPUT_UNIT)
!-----------------------------------------------------------------------------
! read numerical parametes and do sanity checks
@ -319,7 +319,7 @@ type(tSolutionState) function FEM_mech_solution( &
endif
print'(/,a)', ' ==========================================================================='
flush(6)
flush(OUTPUT_UNIT)
end function FEM_mech_solution
@ -682,9 +682,9 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
print'(/,1x,a,a,i0,a,i0,f0.3)', trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
write(OUTPUT_UNIT,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)
flush(OUTPUT_UNIT)
end subroutine FEM_mech_converged