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DAMASK_EICMD
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Merge branch 'pretty-print-init' into 'development' 

Pretty print init

See merge request damask/DAMASK!454
This commit is contained in:
Franz Roters 2021-11-17 13:20:37 +00:00
parent b2fd78b639 262ff03b9f
commit a3f74994be
60 changed files with 682 additions and 683 deletions
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2
src/CPFEM.f90
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@ -103,7 +103,7 @@ subroutine CPFEM_init
class(tNode), pointer :: &
debug_CPFEM
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
allocate(CPFEM_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
allocate(CPFEM_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)

2
src/CPFEM2.f90
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@ -81,7 +81,7 @@ subroutine CPFEM_init
integer(HID_T) :: fileHandle
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
if (interface_restartInc > 0) then

2
src/DAMASK_Marc.f90
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@ -46,7 +46,7 @@ subroutine DAMASK_interface_init
integer :: ierr
character(len=pPathLen) :: wd
print'(/,a)', ' <<<+- DAMASK_marc init -+>>>'
print'(/,1x,a)', '<<<+- DAMASK_marc init -+>>>'
print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'

2
src/DAMASK_interface.f90
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@ -70,7 +70,7 @@ subroutine DAMASK_interface_init
external :: &
quit
print'(/,a)', ' <<<+- DAMASK_interface init -+>>>'
print'(/,1x,a)', '<<<+- DAMASK_interface init -+>>>'
if(worldrank == 0) open(OUTPUT_UNIT, encoding='UTF-8') ! for special characters in output

2
src/HDF5_utilities.f90
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@ -109,7 +109,7 @@ subroutine HDF5_utilities_init
integer(SIZE_T) :: typeSize
print'(/,a)', ' <<<+- HDF5_Utilities init -+>>>'
print'(/,1x,a)', '<<<+- HDF5_Utilities init -+>>>'
call h5open_f(hdferr)

2
src/IO.f90
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@ -56,7 +56,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine IO_init
print'(/,a)', ' <<<+- IO init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- IO init -+>>>'; flush(IO_STDOUT)
call selfTest

2
src/YAML_types.f90
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@ -187,7 +187,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine YAML_types_init
print'(/,a)', ' <<<+- YAML_types init -+>>>'
print'(/,1x,a)', '<<<+- YAML_types init -+>>>'
call selfTest

2
src/base64.f90
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@ -27,7 +27,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine base64_init
print'(/,a)', ' <<<+- base64 init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- base64 init -+>>>'; flush(IO_STDOUT)
call selfTest

9
src/config.f90
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@ -30,8 +30,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine config_init
print'(/,a)', ' <<<+- config init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- config init -+>>>'; flush(IO_STDOUT)
call parse_material
call parse_numerics
@ -53,7 +52,7 @@ subroutine parse_material()
if (.not. fileExists) call IO_error(100,ext_msg='material.yaml')
if (worldrank == 0) then
print*, 'reading material.yaml'; flush(IO_STDOUT)
print'(/,1x,a)', 'reading material.yaml'; flush(IO_STDOUT)
fileContent = IO_read('material.yaml')
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup','material.yaml','main configuration')
@ -81,7 +80,7 @@ subroutine parse_numerics()
if (fileExists) then
if (worldrank == 0) then
print*, 'reading numerics.yaml'; flush(IO_STDOUT)
print'(1x,a)', 'reading numerics.yaml'; flush(IO_STDOUT)
fileContent = IO_read('numerics.yaml')
if (len(fileContent) > 0) then
call results_openJobFile(parallel=.false.)
@ -113,7 +112,7 @@ subroutine parse_debug()
if (fileExists) then
if (worldrank == 0) then
print*, 'reading debug.yaml'; flush(IO_STDOUT)
print'(1x,a)', 'reading debug.yaml'; flush(IO_STDOUT)
fileContent = IO_read('debug.yaml')
if (len(fileContent) > 0) then
call results_openJobFile(parallel=.false.)

2
src/discretization.f90
View File

@ -49,7 +49,7 @@ subroutine discretization_init(materialAt,&
integer, optional, intent(in) :: &
sharedNodesBegin !< index of first node shared among different processes (MPI)
print'(/,a)', ' <<<+- discretization init -+>>>'; flush(6)
print'(/,1x,a)', '<<<+- discretization init -+>>>'; flush(6)
discretization_Nelems = size(materialAt,1)
discretization_nIPs = size(IPcoords0,2)/discretization_Nelems

2
src/element.f90
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@ -923,7 +923,7 @@ subroutine tElement_init(self,elemType)
self%nIPneighbors = size(self%IPneighbor,1)
print'(/,a)', ' <<<+- element_init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- element_init -+>>>'; flush(IO_STDOUT)
print*, 'element type: ',self%elemType
print*, ' geom type: ',self%geomType

46
src/grid/DAMASK_grid.f90
View File

@ -113,10 +113,10 @@ program DAMASK_grid
! init DAMASK (all modules)
call CPFEM_initAll
print'(/,a)', ' <<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
@ -227,12 +227,12 @@ program DAMASK_grid
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. l>1)
reportAndCheck: if (worldrank == 0) then
print'(/,a,i0)', ' load case: ', l
print*, ' estimate_rate:', loadCases(l)%estimate_rate
print'(/,1x,a,1x,i0)', 'load case:', l
print'(2x,a,1x,l1)', 'estimate_rate:', loadCases(l)%estimate_rate
if (loadCases(l)%deformation%myType == 'F') then
print*, ' F:'
print'(2x,a)', 'F:'
else
print*, ' '//loadCases(l)%deformation%myType//' / 1/s:'
print'(2x,a)', loadCases(l)%deformation%myType//' / 1/s:'
endif
do i = 1, 3; do j = 1, 3
if (loadCases(l)%deformation%mask(i,j)) then
@ -246,8 +246,8 @@ program DAMASK_grid
if (any(.not.(loadCases(l)%stress%mask .or. transpose(loadCases(l)%stress%mask)) .and. (math_I3<1))) &
errorID = 838 ! no rotation is allowed by stress BC
if (loadCases(l)%stress%myType == 'P') print*, ' P / MPa:'
if (loadCases(l)%stress%myType == 'dot_P') print*, ' dot_P / MPa/s:'
if (loadCases(l)%stress%myType == 'P') print'(2x,a)', 'P / MPa:'
if (loadCases(l)%stress%myType == 'dot_P') print'(2x,a)', 'dot_P / MPa/s:'
if (loadCases(l)%stress%myType /= '') then
do i = 1, 3; do j = 1, 3
@ -270,15 +270,15 @@ program DAMASK_grid
if (loadCases(l)%f_restart < 1) errorID = 839
if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then
print'(a)', ' r: 1 (constant step width)'
print'(2x,a)', 'r: 1 (constant step width)'
else
print'(a,f0.3)', ' r: ', loadCases(l)%r
print'(2x,a,1x,f0.3)', 'r:', loadCases(l)%r
endif
print'(a,f0.3)', ' t: ', loadCases(l)%t
print'(a,i0)', ' N: ', loadCases(l)%N
print'(a,i0)', ' f_out: ', loadCases(l)%f_out
print'(2x,a,1x,f0.3)', 't:', loadCases(l)%t
print'(2x,a,1x,i0)', 'N:', loadCases(l)%N
print'(2x,a,1x,i0)', 'f_out:', loadCases(l)%f_out
if (loadCases(l)%f_restart < huge(0)) &
print'(a,i0)', ' f_restart: ', loadCases(l)%f_restart
print'(2x,a,1x,i0)', 'f_restart:', loadCases(l)%f_restart
if (errorID > 0) call IO_error(error_ID = errorID, el = l)
@ -317,7 +317,7 @@ program DAMASK_grid
endif
writeUndeformed: if (interface_restartInc < 1) then
print'(/,a)', ' ... writing initial configuration to file ........................'
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
endif writeUndeformed
@ -353,8 +353,8 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! report begin of new step
print'(/,a)', ' ###########################################################################'
print'(1x,a,es12.5,6(a,i0))', &
print'(/,1x,a)', '###########################################################################'
print'(1x,a,1x,es12.5,6(a,i0))', &
'Time', t, &
's: Increment ', inc,'/',loadCases(l)%N,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
@ -425,7 +425,7 @@ program DAMASK_grid
cutBackLevel = cutBackLevel + 1
t = t - Delta_t
Delta_t = Delta_t/real(subStepFactor,pReal) ! cut timestep
print'(/,a)', ' cutting back '
print'(/,1x,a)', 'cutting back '
else ! no more options to continue
if (worldrank == 0) close(statUnit)
call IO_error(950)
@ -436,15 +436,15 @@ program DAMASK_grid
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' converged'
else
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
call MPI_Allreduce(interface_SIGUSR1,signal,1,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,ierr)
if (ierr /= 0) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_out) == 0 .or. signal) then
print'(1/,a)', ' ... writing results to file ......................................'
print'(/,1x,a)', '... writing results to file ...............................................'
flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,t)
endif
@ -468,7 +468,7 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
print'(/,a)', ' ###########################################################################'
print'(/,1x,a)', '###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)

8
src/grid/discretization_grid.f90
View File

@ -72,7 +72,7 @@ subroutine discretization_grid_init(restart)
fileContent, fname
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
if (worldrank == 0) then
@ -96,9 +96,9 @@ subroutine discretization_grid_init(restart)
call MPI_Bcast(origin,3,MPI_DOUBLE,0,MPI_COMM_WORLD, ierr)
if (ierr /= 0) error stop 'MPI error'
print'(/,a,3(i12 ))', ' cells a b c: ', grid
print'(a,3(es12.5))', ' size x y z: ', geomSize
print'(a,3(es12.5))', ' origin x y z: ', origin
print'(/,1x,a,3(i12,1x))', 'cells a b c: ', grid
print '(1x,a,3(es12.5,1x))', 'size x y z: ', geomSize
print '(1x,a,3(es12.5,1x))', 'origin x y z: ', origin
if (worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')

12
src/grid/grid_damage_spectral.f90
View File

@ -76,10 +76,10 @@ subroutine grid_damage_spectral_init()
character(len=pStringLen) :: &
snes_type
print'(/,a)', ' <<<+- grid_spectral_damage init -+>>>'
print'(/,1x,a)', '<<<+- grid_spectral_damage init -+>>>'
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
@ -206,9 +206,9 @@ function grid_damage_spectral_solution(Delta_t) result(solution)
call VecMin(solution_vec,devNull,phi_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
print'(/,a)', ' ... nonlocal damage converged .....................................'
print'(/,a,f8.6,2x,f8.6,2x,e11.4)', ' Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '... nonlocal damage converged .....................................'
print'(/,1x,a,f8.6,2x,f8.6,2x,e11.4)', 'Minimum|Maximum|Delta Damage = ', phi_min, phi_max, stagNorm
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end function grid_damage_spectral_solution

20
src/grid/grid_mech_FEM.f90
View File

@ -116,7 +116,7 @@ subroutine grid_mechanical_FEM_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
!-------------------------------------------------------------------------------------------------
! debugging options
@ -234,7 +234,7 @@ subroutine grid_mechanical_FEM_init
!--------------------------------------------------------------------------------------------------
! init fields
restartRead: if (interface_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -272,7 +272,7 @@ subroutine grid_mechanical_FEM_init
CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
if(ierr /=0) error stop 'MPI error'
@ -442,7 +442,7 @@ subroutine grid_mechanical_FEM_restartWrite
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
print'(1x,a)', 'writing solver data required for restart to file'; flush(IO_STDOUT)
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
groupHandle = HDF5_addGroup(fileHandle,'solver')
@ -506,12 +506,12 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
reason = 0
endif
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
print'(/,1x,a)', '... reporting .............................................................'
print'(/,1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
print'(1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -547,9 +547,9 @@ subroutine formResidual(da_local,x_local, &
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim =', transpose(F_aim)
flush(IO_STDOUT)
endif newIteration

28
src/grid/grid_mech_spectral_basic.f90
View File

@ -111,13 +111,13 @@ subroutine grid_mechanical_spectral_basic_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
print*, 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
print'(/,1x,a)', 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
print'( 1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! debugging options
@ -186,7 +186,7 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restartRead: if (interface_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -219,7 +219,7 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
if (ierr /=0) error stop 'MPI error'
@ -385,7 +385,7 @@ subroutine grid_mechanical_spectral_basic_restartWrite
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
print'(1x,a)', 'writing solver data required for restart to file'; flush(IO_STDOUT)
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
groupHandle = HDF5_addGroup(fileHandle,'solver')
@ -445,12 +445,12 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
reason = 0
end if
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
print'(/,1x,a)', '... reporting .............................................................'
print'(/,1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
print'(1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -485,9 +485,9 @@ subroutine formResidual(in, F, &
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim =', transpose(F_aim)
flush(IO_STDOUT)
end if newIteration

26
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -124,10 +124,10 @@ subroutine grid_mechanical_spectral_polarisation_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
print'(/,1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! debugging options
@ -208,7 +208,7 @@ subroutine grid_mechanical_spectral_polarisation_init
F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -245,7 +245,7 @@ subroutine grid_mechanical_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then
print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81,MPI_DOUBLE,0,MPI_COMM_WORLD,ierr)
if (ierr /=0) error stop 'MPI error'
@ -441,7 +441,7 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
print'(1x,a)', 'writing solver data required for restart to file'; flush(IO_STDOUT)
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
groupHandle = HDF5_addGroup(fileHandle,'solver')
@ -504,14 +504,14 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
reason = 0
end if
print'(1/,a)', ' ... reporting .............................................................'
print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
print'(/,1x,a)', '... reporting .............................................................'
print'(/,1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error divergence = ', &
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error curl = ', &
print '(1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
print '(1x,a,f12.2,a,es8.2,a,es9.2,a)', 'error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end subroutine converged
@ -565,9 +565,9 @@ subroutine formResidual(in, FandF_tau, &
newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if (debugRotation) print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
print'(/,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
'deformation gradient aim =', transpose(F_aim)
flush(IO_STDOUT)
end if newIteration

12
src/grid/grid_thermal_spectral.f90
View File

@ -75,10 +75,10 @@ subroutine grid_thermal_spectral_init(T_0)
class(tNode), pointer :: &
num_grid
print'(/,a)', ' <<<+- grid_thermal_spectral init -+>>>'
print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>'
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
print'(/,1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks
@ -201,9 +201,9 @@ function grid_thermal_spectral_solution(Delta_t) result(solution)
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
print'(/,a)', ' ... thermal conduction converged ..................................'
print'(/,a,f8.4,2x,f8.4,2x,f8.4)', ' Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '... thermal conduction converged ..................................'
print'(/,1x,a,f8.4,2x,f8.4,2x,f8.4)', 'Minimum|Maximum|Delta Temperature / K = ', T_min, T_max, stagNorm
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end function grid_thermal_spectral_solution

44
src/grid/spectral_utilities.f90
View File

@ -177,19 +177,19 @@ subroutine spectral_utilities_init
num_grid, &
debug_grid ! pointer to grid debug options
print'(/,a)', ' <<<+- spectral_utilities init -+>>>'
print'(/,1x,a)', '<<<+- spectral_utilities init -+>>>'
print*, 'M. Diehl, Diploma Thesis TU München, 2010'
print*, 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
print'(/,1x,a)', 'M. Diehl, Diploma Thesis TU München, 2010'
print'( 1x,a)', 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
print*, 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
print'( 1x,a)', 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
print'( 1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
print'( 1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
!--------------------------------------------------------------------------------------------------
! set debugging parameters
@ -200,7 +200,7 @@ subroutine spectral_utilities_init
debugRotation = debug_grid%contains('rotation')
debugPETSc = debug_grid%contains('PETSc')
if(debugPETSc) print'(3(/,a),/)', &
if (debugPETSc) print'(3(/,1x,a),/)', &
'Initializing PETSc with debug options: ', &
trim(PETScDebug), &
'add more using the "PETSc_options" keyword in numerics.yaml'
@ -271,7 +271,7 @@ 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(IO_STDOUT)
print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
! MPI allocation
@ -497,7 +497,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
logical :: err
print'(/,a)', ' ... doing gamma convolution ...............................................'
print'(/,1x,a)', '... doing gamma convolution ...............................................'
flush(IO_STDOUT)
!--------------------------------------------------------------------------------------------------
@ -567,7 +567,7 @@ real(pReal) function utilities_divergenceRMS()
integer :: i, j, k, ierr
complex(pReal), dimension(3) :: rescaledGeom
print'(/,a)', ' ... calculating divergence ................................................'
print'(/,1x,a)', '... calculating divergence ................................................'
flush(IO_STDOUT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -610,7 +610,7 @@ real(pReal) function utilities_curlRMS()
complex(pReal), dimension(3,3) :: curl_fourier
complex(pReal), dimension(3) :: rescaledGeom
print'(/,a)', ' ... calculating curl ......................................................'
print'(/,1x,a)', '... calculating curl ......................................................'
flush(IO_STDOUT)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -690,8 +690,8 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
temp99_real = math_3333to99(rot_BC%rotate(C))
if (debugGeneral) then
print'(/,a)', ' ... updating masked compliance ............................................'
print'(/,a,/,8(9(2x,f12.7,1x)/),9(2x,f12.7,1x))', &
print'(/,1x,a)', '... updating masked compliance ............................................'
print'(/,1x,a,/,8(9(2x,f12.7,1x)/),9(2x,f12.7,1x))', &
'Stiffness C (load) / GPa =', transpose(temp99_Real)*1.0e-9_pReal
flush(IO_STDOUT)
endif
@ -711,7 +711,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
if (debugGeneral .or. errmatinv) then
write(formatString, '(i2)') size_reduced
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
formatString = '(/,1x,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
print trim(formatString), 'C * S (load) ', transpose(matmul(c_reduced,s_reduced))
print trim(formatString), 'S (load) ', transpose(s_reduced)
if (errmatinv) error stop 'matrix inversion error'
@ -724,7 +724,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
utilities_maskedCompliance = math_99to3333(temp99_Real)
if (debugGeneral) then
print'(/,a,/,9(9(2x,f10.5,1x)/),9(2x,f10.5,1x))', &
print'(/,1x,a,/,9(9(2x,f10.5,1x)/),9(2x,f10.5,1x))', &
'Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
flush(IO_STDOUT)
endif
@ -810,7 +810,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
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
print'(/,a)', ' ... evaluating constitutive response ......................................'
print'(/,1x,a)', '... evaluating constitutive response ......................................'
flush(IO_STDOUT)
homogenization_F = reshape(F,[3,3,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
@ -824,10 +824,10 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
P = reshape(homogenization_P, [3,3,grid(1),grid(2),grid3])
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)
if (debugRotation) print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
if (debugRotation) print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
'Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
if (present(rotation_BC)) P_av = rotation_BC%rotate(P_av)
print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
'Piola--Kirchhoff stress / MPa =', transpose(P_av)*1.e-6_pReal
flush(IO_STDOUT)
@ -1094,7 +1094,7 @@ subroutine utilities_saveReferenceStiffness
fileUnit,ierr
if (worldrank == 0) then
print'(a)', ' writing reference stiffness data required for restart to file'; flush(IO_STDOUT)
print'(/,1x,a)', '... writing reference stiffness data required for restart to file .........'; flush(IO_STDOUT)
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')

2
src/homogenization.f90
View File

@ -199,7 +199,7 @@ subroutine homogenization_init()
num_homog, &
num_homogGeneric
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- homogenization init -+>>>'; flush(IO_STDOUT)
allocate(homogState (size(material_name_homogenization)))

2
src/homogenization_damage.f90
View File

@ -41,7 +41,7 @@ module subroutine damage_init()
integer :: ho,Nmembers
print'(/,a)', ' <<<+- homogenization:damage init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:damage init -+>>>'
configHomogenizations => config_material%get('homogenization')

2
src/homogenization_damage_pass.f90
View File

@ -8,7 +8,7 @@ contains
module subroutine pass_init()
print'(/,a)', ' <<<+- homogenization:damage:pass init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:damage:pass init -+>>>'
end subroutine pass_init

2
src/homogenization_mechanical.f90
View File

@ -68,7 +68,7 @@ module subroutine mechanical_init(num_homog)
class(tNode), pointer :: &
num_homogMech
print'(/,a)', ' <<<+- homogenization:mechanical init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:mechanical init -+>>>'
call material_parseHomogenization2()

12
src/homogenization_mechanical_RGC.f90
View File

@ -87,16 +87,16 @@ module subroutine RGC_init(num_homogMech)
homog, &
homogMech
print'(/,a)', ' <<<+- homogenization:mechanical:RGC init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:mechanical:RGC init -+>>>'
print'(a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_RGC_ID)
print'(/,a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_RGC_ID)
flush(IO_STDOUT)
print*, 'D.D. Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
print'(/,1x,a)', 'D.D. Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
print'( 1x,a)', 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
print*, 'D.D. Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
print*, 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
print'(/,1x,a)', 'D.D. Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
print'( 1x,a)', 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
material_homogenization => config_material%get('homogenization')

4
src/homogenization_mechanical_isostrain.f90
View File

@ -17,9 +17,9 @@ module subroutine isostrain_init
ho, &
Nmembers
print'(/,a)', ' <<<+- homogenization:mechanical:isostrain init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:mechanical:isostrain init -+>>>'
print'(a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
print'(/,a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
flush(IO_STDOUT)
do ho = 1, size(homogenization_type)

4
src/homogenization_mechanical_pass.f90
View File

@ -17,9 +17,9 @@ module subroutine pass_init
ho, &
Nmembers
print'(/,a)', ' <<<+- homogenization:mechanical:pass init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:mechanical:pass init -+>>>'
print'(a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_NONE_ID)
print'(/,a,i0)', ' # homogenizations: ',count(homogenization_type == HOMOGENIZATION_NONE_ID)
flush(IO_STDOUT)
do ho = 1, size(homogenization_type)

2
src/homogenization_thermal.f90
View File

@ -44,7 +44,7 @@ module subroutine thermal_init()
integer :: ho
print'(/,a)', ' <<<+- homogenization:thermal init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:thermal init -+>>>'
configHomogenizations => config_material%get('homogenization')

2
src/homogenization_thermal_pass.f90
View File

@ -8,7 +8,7 @@ contains
module subroutine pass_init()
print'(/,a)', ' <<<+- homogenization:thermal:pass init -+>>>'
print'(/,1x,a)', '<<<+- homogenization:thermal:pass init -+>>>'
end subroutine pass_init

2
src/lattice.f90
View File

@ -409,7 +409,7 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- lattice init -+>>>'; flush(IO_STDOUT)
call selfTest

4
src/material.f90
View File

@ -63,11 +63,11 @@ subroutine material_init(restart)
logical, intent(in) :: restart
print'(/,a)', ' <<<+- material init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- material init -+>>>'; flush(IO_STDOUT)
call parse
print*, 'parsed material.yaml'
print'(/,1x,a)', 'parsed material.yaml'
if (.not. restart) then

4
src/math.f90
View File

@ -91,7 +91,7 @@ subroutine math_init
class(tNode), pointer :: &
num_generic
print'(/,a)', ' <<<+- math init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- math init -+>>>'; flush(IO_STDOUT)
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
@ -109,7 +109,7 @@ subroutine math_init
call random_seed(put = randInit)
call random_number(randTest)
print'(a,i2)', ' size of random seed: ', randSize
print'(/,a,i2)', ' size of random seed: ', randSize
print'( a,i0)', ' value of random seed: ', randInit(1)
print'( a,4(/,26x,f17.14),/)', ' start of random sequence: ', randTest

34
src/mesh/DAMASK_mesh.f90
View File

@ -86,7 +86,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
print'(/,a)', ' <<<+- DAMASK_mesh init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- DAMASK_mesh init -+>>>'; flush(IO_STDOUT)
!---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks
@ -204,25 +204,25 @@ program DAMASK_mesh
errorID = 0
checkLoadcases: do currentLoadCase = 1, size(loadCases)
write (loadcase_string, '(i0)' ) currentLoadCase
print'(a,i0)', ' load case: ', currentLoadCase
print'(/,1x,a,i0)', 'load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
print'(a)', ' drop guessing along trajectory'
print'(a)', ' Field '//trim(FIELD_MECH_label)
print'(2x,a)', 'drop guessing along trajectory'
print'(2x,a)', 'Field '//trim(FIELD_MECH_label)
do faceSet = 1, mesh_Nboundaries
do component = 1, loadCases(currentLoadCase)%fieldBC(1)%nComponents
if (loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Mask(faceSet)) &
print'(a,i2,a,i2,a,f12.7)', ' Face ', mesh_boundaries(faceSet), &
print'(a,i2,a,i2,a,f12.7)', &
' Face ', mesh_boundaries(faceSet), &
' Component ', component, &
' Value ', loadCases(currentLoadCase)%fieldBC(1)% &
componentBC(component)%Value(faceSet)
' Value ', loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Value(faceSet)
end do
end do
print'(a,f12.6)', ' time: ', loadCases(currentLoadCase)%time
print'(2x,a,f12.6)', 'time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1) errorID = 835 ! non-positive incs count
print'(a,i5)', ' increments: ', loadCases(currentLoadCase)%incs
print'(2x,a,i5)', 'increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
print'(a,i5)', ' output frequency: ', &
print'(2x,a,i5)', 'output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
end do checkLoadcases
@ -237,7 +237,7 @@ program DAMASK_mesh
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
end if
print'(/,a)', ' ... writing initial configuration to file ........................'
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
@ -262,7 +262,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! report begin of new step
print'(/,a)', ' ###########################################################################'
print'(/,1x,a)', '###########################################################################'
print'(1x,a,es12.5,6(a,i0))',&
'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
@ -298,7 +298,7 @@ program DAMASK_mesh
cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time
timeinc = timeinc/2.0_pReal
print'(/,a)', ' cutting back'
print'(/,1x,a)', 'cutting back'
else ! default behavior, exit if spectral solver does not converge
if (worldrank == 0) close(statUnit)
call IO_error(950)
@ -315,13 +315,13 @@ program DAMASK_mesh
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' converged'
else
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged'
end if; flush(IO_STDOUT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
print'(/,a)', ' ... writing results to file ......................................'
print'(/,1x,a)', '... writing results to file ...............................................'
call FEM_mechanical_updateCoords
call CPFEM_results(totalIncsCounter,time)
end if
@ -334,7 +334,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
print'(/,a)', ' ###########################################################################'
print'(/,1x,a)', '###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)

6
src/mesh/FEM_quadrature.f90
View File

@ -41,10 +41,10 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine FEM_quadrature_init()
print'(/,a)', ' <<<+- FEM_quadrature init -+>>>'; flush(6)
print'(/,1x,a)', '<<<+- FEM_quadrature init -+>>>'; flush(6)
print*, 'L. Zhang et al., Journal of Computational Mathematics 27(1):89-96, 2009'
print*, 'https://www.jstor.org/stable/43693493'
print'(/,1x,a)', 'L. Zhang et al., Journal of Computational Mathematics 27(1):89-96, 2009'
print'( 1x,a)', 'https://www.jstor.org/stable/43693493'
!--------------------------------------------------------------------------------------------------
! 2D linear

7
src/mesh/FEM_utilities.f90
View File

@ -96,7 +96,7 @@ subroutine FEM_utilities_init
logical :: debugPETSc !< use some in debug defined options for more verbose PETSc solution
print'(/,a)', ' <<<+- FEM_utilities init -+>>>'
print'(/,1x,a)', '<<<+- FEM_utilities init -+>>>'
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
@ -111,7 +111,7 @@ subroutine FEM_utilities_init
debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
debugPETSc = debug_mesh%contains('PETSc')
if(debugPETSc) print'(3(/,a),/)', &
if(debugPETSc) print'(3(/,1x,a),/)', &
'Initializing PETSc with debug options: ', &
trim(PETScDebug), &
'add more using the "PETSc_options" keyword in numerics.yaml'
@ -149,8 +149,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
PetscErrorCode :: ierr
print'(/,a)', ' ... evaluating constitutive response ......................................'
print'(/,1x,a)', '... evaluating constitutive response ......................................'
call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field
if (.not. terminallyIll) &

3
src/mesh/discretization_mesh.f90
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@ -88,7 +88,7 @@ subroutine discretization_mesh_init(restart)
integer :: p_i !< integration order (quadrature rule)
type(tvec) :: coords_node0
print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
print'(/,1x,a)', '<<<+- discretization_mesh init -+>>>'
!--------------------------------------------------------------------------------
! read numerics parameter
@ -106,6 +106,7 @@ subroutine discretization_mesh_init(restart)
CHKERRQ(ierr)
call DMGetStratumSize(globalMesh,'depth',dimPlex,mesh_NcpElemsGlobal,ierr)
CHKERRQ(ierr)
print'()'
call DMView(globalMesh, PETSC_VIEWER_STDOUT_WORLD,ierr)
CHKERRQ(ierr)

6
src/mesh/mesh_mech_FEM.f90
View File

@ -113,7 +113,7 @@ subroutine FEM_mechanical_init(fieldBC)
class(tNode), pointer :: &
num_mesh
print'(/,a)', ' <<<+- FEM_mech init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- FEM_mech init -+>>>'; flush(IO_STDOUT)
!-----------------------------------------------------------------------------
! read numerical parametes and do sanity checks
@ -302,7 +302,7 @@ type(tSolutionState) function FEM_mechanical_solution( &
CHKERRQ(ierr)
endif
print'(/,a)', ' ==========================================================================='
print'(/,1x,a)', '==========================================================================='
flush(IO_STDOUT)
end function FEM_mechanical_solution
@ -663,7 +663,7 @@ subroutine FEM_mechanical_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reaso
print'(/,1x,a,a,i0,a,i0,f0.3)', trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
print'(/,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
'Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pReal
flush(IO_STDOUT)

10
src/parallelization.f90
View File

@ -76,11 +76,11 @@ subroutine parallelization_init
call MPI_Comm_rank(MPI_COMM_WORLD,worldrank,err)
if (err /= 0) error stop 'Could not determine worldrank'
if (worldrank == 0) print'(/,a)', ' <<<+- parallelization init -+>>>'
if (worldrank == 0) print'(/,1x,a)', '<<<+- parallelization init -+>>>'
call MPI_Comm_size(MPI_COMM_WORLD,worldsize,err)
if (err /= 0) error stop 'Could not determine worldsize'
if (worldrank == 0) print'(a,i3)', ' MPI processes: ',worldsize
if (worldrank == 0) print'(/,1x,a,i3)', 'MPI processes: ',worldsize
call MPI_Type_size(MPI_INTEGER,typeSize,err)
if (err /= 0) error stop 'Could not determine MPI integer size'
@ -97,16 +97,16 @@ subroutine parallelization_init
!$ call get_environment_variable(name='OMP_NUM_THREADS',value=NumThreadsString,STATUS=got_env)
!$ if(got_env /= 0) then
!$ print*, 'Could not get $OMP_NUM_THREADS, using default'
!$ print'(1x,a)', 'Could not get $OMP_NUM_THREADS, using default'
!$ OMP_NUM_THREADS = 4_pI32
!$ else
!$ read(NumThreadsString,'(i6)') OMP_NUM_THREADS
!$ if (OMP_NUM_THREADS < 1_pI32) then
!$ print*, 'Invalid OMP_NUM_THREADS: "'//trim(NumThreadsString)//'", using default'
!$ print'(1x,a)', 'Invalid OMP_NUM_THREADS: "'//trim(NumThreadsString)//'", using default'
!$ OMP_NUM_THREADS = 4_pI32
!$ endif
!$ endif
!$ print'(a,i2)', ' OMP_NUM_THREADS: ',OMP_NUM_THREADS
!$ print'(1x,a,1x,i2)', 'OMP_NUM_THREADS:',OMP_NUM_THREADS
!$ call omp_set_num_threads(OMP_NUM_THREADS)
end subroutine parallelization_init

6
src/phase.f90
View File

@ -343,7 +343,7 @@ subroutine phase_init
phase
print'(/,a)', ' <<<+- phase init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase init -+>>>'; flush(IO_STDOUT)
debug_constitutive => config_debug%get('phase', defaultVal=emptyList)
debugConstitutive%basic = debug_constitutive%contains('basic')
@ -495,7 +495,7 @@ subroutine crystallite_init()
phases
print'(/,a)', ' <<<+- crystallite init -+>>>'
print'(/,1x,a)', '<<<+- crystallite init -+>>>'
cMax = homogenization_maxNconstituents
iMax = discretization_nIPs
@ -534,7 +534,7 @@ subroutine crystallite_init()
phases => config_material%get('phase')
print'(a42,1x,i10)', ' # of elements: ', eMax
print'(/,a42,1x,i10)', ' # of elements: ', eMax
print'( a42,1x,i10)', ' # of integration points/element: ', iMax
print'( a42,1x,i10)', 'max # of constituents/integration point: ', cMax
flush(IO_STDOUT)

2
src/phase_damage.f90
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@ -83,7 +83,7 @@ module subroutine damage_init
source
logical:: damage_active
print'(/,a)', ' <<<+- phase:damage init -+>>>'
print'(/,1x,a)', '<<<+- phase:damage init -+>>>'
phases => config_material%get('phase')

4
src/phase_damage_anisobrittle.f90
View File

@ -48,8 +48,8 @@ module function anisobrittle_init() result(mySources)
mySources = source_active('anisobrittle')
if (count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:anisobrittle init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:damage:anisobrittle init -+>>>'
print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')

4
src/phase_damage_isobrittle.f90
View File

@ -46,8 +46,8 @@ module function isobrittle_init() result(mySources)
mySources = source_active('isobrittle')
if (count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:isobrittle init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:damage:isobrittle init -+>>>'
print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')

2
src/phase_mechanical.f90
View File

@ -217,7 +217,7 @@ module subroutine mechanical_init(phases)
phase, &
mech
print'(/,a)', ' <<<+- phase:mechanical init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical init -+>>>'
!-------------------------------------------------------------------------------------------------
allocate(output_constituent(phases%length))

2
src/phase_mechanical_eigen.f90
View File

@ -44,7 +44,7 @@ module subroutine eigen_init(phases)
kinematics, &
mechanics
print'(/,a)', ' <<<+- phase:mechanical:eigen init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical:eigen init -+>>>'
!--------------------------------------------------------------------------------------------------
! explicit eigen mechanisms

4
src/phase_mechanical_eigen_cleavageopening.f90
View File

@ -21,8 +21,8 @@ module function damage_anisobrittle_init() result(myKinematics)
myKinematics = kinematics_active2('anisobrittle')
if(count(myKinematics) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:eigen:cleavageopening init -+>>>'
print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:eigen:cleavageopening init -+>>>'
print'(/,a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
end function damage_anisobrittle_init

4
src/phase_mechanical_eigen_thermalexpansion.f90
View File

@ -36,11 +36,11 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanical:eigen:thermalexpansion init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical:eigen:thermalexpansion init -+>>>'
myKinematics = kinematics_active('thermalexpansion',kinematics_length)
Ninstances = count(myKinematics)
print'(a,i2)', ' # phases: ',Ninstances; flush(IO_STDOUT)
print'(/,a,i2)', ' # phases: ',Ninstances; flush(IO_STDOUT)
if (Ninstances == 0) return
phases => config_material%get('phase')

6
src/phase_mechanical_elastic.f90
View File

@ -26,10 +26,10 @@ module subroutine elastic_init(phases)
elastic
print'(/,a)', ' <<<+- phase:mechanical:elastic init -+>>>'
print'(/,a)', ' <<<+- phase:mechanical:elastic:Hooke init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical:elastic init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical:elastic:Hooke init -+>>>'
print'(a,i0)', ' # phases: ',phases%length; flush(IO_STDOUT)
print'(/,a,i0)', ' # phases: ',phases%length; flush(IO_STDOUT)
allocate(param(phases%length))

2
src/phase_mechanical_plastic.f90
View File

@ -222,7 +222,7 @@ contains
module subroutine plastic_init
print'(/,a)', ' <<<+- phase:mechanical:plastic init -+>>>'
print'(/,1x,a)', '<<<+- phase:mechanical:plastic init -+>>>'
where(plastic_none_init()) phase_plasticity = PLASTICITY_NONE_ID
where(plastic_isotropic_init()) phase_plasticity = PLASTICITY_ISOTROPIC_ID

8
src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -101,11 +101,11 @@ module function plastic_dislotungsten_init() result(myPlasticity)
myPlasticity = plastic_active('dislotungsten')
if (count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotungsten init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:dislotungsten init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'D. Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
print*, 'https://doi.org/10.1016/j.ijplas.2015.09.002'
print'(/,1x,a)', 'D. Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2015.09.002'
phases => config_material%get('phase')

16
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -150,17 +150,17 @@ module function plastic_dislotwin_init() result(myPlasticity)
myPlasticity = plastic_active('dislotwin')
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotwin init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:dislotwin init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'A. Ma and F. Roters, Acta Materialia 52(12):3603–3612, 2004'
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
print'(/,1x,a)', 'A. Ma and F. Roters, Acta Materialia 52(12):3603–3612, 2004'
print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
print*, 'F. Roters et al., Computational Materials Science 39:91–95, 2007'
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
print'(/,1x,a)', 'F. Roters et al., Computational Materials Science 39:91–95, 2007'
print'( 1x,a)', 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
print*, 'S.L. Wong et al., Acta Materialia 118:140–151, 2016'
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
print'(/,1x,a)', 'S.L. Wong et al., Acta Materialia 118:140–151, 2016'
print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2016.07.032'
phases => config_material%get('phase')

8
src/phase_mechanical_plastic_isotropic.f90
View File

@ -68,11 +68,11 @@ module function plastic_isotropic_init() result(myPlasticity)
myPlasticity = plastic_active('isotropic')
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:isotropic init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:isotropic init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'T. Maiti and P. Eisenlohr, Scripta Materialia 145:37–40, 2018'
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
print'(/,a)', 'T. Maiti and P. Eisenlohr, Scripta Materialia 145:37–40, 2018'
print'(/,a)', 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
phases => config_material%get('phase')
allocate(param(phases%length))

4
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -83,8 +83,8 @@ module function plastic_kinehardening_init() result(myPlasticity)
myPlasticity = plastic_active('kinehardening')
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:kinehardening init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:kinehardening init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase')

4
src/phase_mechanical_plastic_none.f90
View File

@ -24,8 +24,8 @@ module function plastic_none_init() result(myPlasticity)
myPlasticity = plastic_active('none')
if (count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:none init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:none init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase')
do ph = 1, phases%length

12
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -202,14 +202,14 @@ module function plastic_nonlocal_init() result(myPlasticity)
return
end if
print'(/,a)', ' <<<+- phase:mechanical:plastic:nonlocal init -+>>>'
print'(a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:nonlocal init -+>>>'
print'(/,a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
print*, 'C. Reuber et al., Acta Materialia 71:333–348, 2014'
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
print'(/,1x,a)', 'C. Reuber et al., Acta Materialia 71:333–348, 2014'
print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
print*, 'C. Kords, Dissertation RWTH Aachen, 2014'
print*, 'http://publications.rwth-aachen.de/record/229993'
print'(/,1x,a)', 'C. Kords, Dissertation RWTH Aachen, 2014'
print'( 1x,a)', 'http://publications.rwth-aachen.de/record/229993'
phases => config_material%get('phase')

4
src/phase_mechanical_plastic_phenopowerlaw.f90
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@ -95,8 +95,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
myPlasticity = plastic_active('phenopowerlaw')
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:phenopowerlaw init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:phenopowerlaw init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase')

2
src/phase_thermal.f90
View File

@ -86,7 +86,7 @@ module subroutine thermal_init(phases)
Nmembers
print'(/,a)', ' <<<+- phase:thermal init -+>>>'
print'(/,1x,a)', '<<<+- phase:thermal init -+>>>'
allocate(current(phases%length))

4
src/phase_thermal_dissipation.f90
View File

@ -36,8 +36,8 @@ module function dissipation_init(source_length) result(mySources)
mySources = thermal_active('dissipation',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:dissipation init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:thermal:dissipation init -+>>>'
print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')

4
src/phase_thermal_externalheat.f90
View File

@ -43,8 +43,8 @@ module function externalheat_init(source_length) result(mySources)
mySources = thermal_active('externalheat',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:externalheat init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- phase:thermal:externalheat init -+>>>'
print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')

16
src/prec.f90
View File

@ -69,15 +69,15 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine prec_init
print'(/,a)', ' <<<+- prec init -+>>>'
print'(/,1x,a)', '<<<+- prec init -+>>>'
print'(a,i3)', ' Size of integer in bit: ',bit_size(0)
print'(a,i19)', ' Maximum value: ',huge(0)
print'(/,a,i3)', ' Size of float in bit: ',storage_size(0.0_pReal)
print'(a,e10.3)', ' Maximum value: ',huge(0.0_pReal)
print'(a,e10.3)', ' Minimum value: ',PREAL_MIN
print'(a,e10.3)', ' Epsilon value: ',PREAL_EPSILON
print'(a,i3)', ' Decimal precision: ',precision(0.0_pReal)
print'(/,a,i3)', ' integer size / bit: ',bit_size(0)
print'( a,i19)', ' maximum value: ',huge(0)
print'(/,a,i3)', ' float size / bit: ',storage_size(0.0_pReal)
print'( a,e10.3)', ' maximum value: ',huge(0.0_pReal)
print'( a,e10.3)', ' minimum value: ',PREAL_MIN
print'( a,e10.3)', ' epsilon value: ',PREAL_EPSILON
print'( a,i3)', ' decimal precision: ',precision(0.0_pReal)
call selfTest

6
src/results.f90
View File

@ -70,10 +70,10 @@ subroutine results_init(restart)
character(len=:), allocatable :: date
print'(/,a)', ' <<<+- results init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- results init -+>>>'; flush(IO_STDOUT)
print*, 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL
print'(/,1x,a)', 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
print'( 1x,a)', 'https://doi.org/10.1007/s40192-017-0084-5'
if (.not. restart) then
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')

6
src/rotations.f90
View File

@ -103,10 +103,10 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine rotations_init
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', '<<<+- rotations init -+>>>'; flush(IO_STDOUT)
print*, 'D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
print*, 'https://doi.org/10.1088/0965-0393/23/8/083501'
print'(/,1x,a)', 'D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
print'( 1x,a)', 'https://doi.org/10.1088/0965-0393/23/8/083501'
call selfTest