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DAMASK_EICMD
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proper error message; Comments starting point is standardized

This commit is contained in:
Sharan Roongta 2020-06-18 00:17:43 +02:00
parent 0fc482585b
commit cdb4a11a2e
3 changed files with 98 additions and 95 deletions
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4
src/IO.f90
View File

@ -554,7 +554,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'invalid selection for debug'
!------------------------------------------------------------------------------------------------
! errors related to YAML input files
! errors related to YAML data
case (701)
msg = 'Incorrect indent/Null value not allowed'
case (702)
@ -565,6 +565,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'Space expected after a colon for <key>: <value> pair'
case (705)
msg = 'Unsupported feature'
case (706)
msg = 'Access by incorrect node type'
!-------------------------------------------------------------------------------------------------
! errors related to the grid solver

10
src/YAML_types.f90
View File

@ -312,7 +312,7 @@ function tNode_asScalar(self) result(scalar)
class is(tScalar)
scalar => self
class default
call IO_error(0)
call IO_error(706,ext_msg='tNode_asScalar')
end select
end function tNode_asScalar
@ -330,7 +330,7 @@ function tNode_asList(self) result(list)
class is(tList)
list => self
class default
call IO_error(0)
call IO_error(706,ext_msg='tNode_asList')
end select
end function tNode_asList
@ -348,7 +348,7 @@ function tNode_asDict(self) result(dict)
class is(tDict)
dict => self
class default
call IO_error(0)
call IO_error(706,ext_msg='tNode_asDict')
end select
end function tNode_asDict
@ -419,7 +419,7 @@ function tNode_get_byIndex(self,i) result(node)
integer :: j
self_ => self%asList()
if(i < 1 .or. i > self_%length) call IO_error(0)
if(i < 1 .or. i > self_%length) call IO_error(150,ext_msg='tNode_get_byIndex')
j = 1
item => self_%first
@ -642,7 +642,7 @@ function tNode_contains(self,k) result(exists)
endif
enddo
else
call IO_error(0)
call IO_error(706,ext_msg='tNode_contains')
endif
end function tNode_contains

179
src/grid/DAMASK_grid.f90
View File

@ -30,13 +30,13 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
integer, allocatable, dimension(:) :: chunkPos
integer :: &
N_t = 0, & !< # of time indicators found in load case file
N_n = 0, & !< # of increment specifiers found in load case file
N_def = 0 !< # of rate of deformation specifiers found in load case file
N_t = 0, & !< # of time indicators found in load case file
N_n = 0, & !< # of increment specifiers found in load case file
N_def = 0 !< # of rate of deformation specifiers found in load case file
character(len=pStringLen) :: &
line
@ -46,36 +46,36 @@ program DAMASK_grid
ones = 1.0_pReal, &
zeros = 0.0_pReal
integer, parameter :: &
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
real(pReal) :: &
time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval
timeinc = 1.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval
timeinc = 1.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
logical :: &
guess, & !< guess along former trajectory
guess, & !< guess along former trajectory
stagIterate, &
cutBack = .false.
integer :: &
i, j, k, l, field, &
errorID = 0, &
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
maxCutBack, & !< max number of cut backs
stepFraction = 0 !< fraction of current time interval
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
maxCutBack, & !< max number of cut backs
stepFraction = 0 !< fraction of current time interval
integer :: &
currentLoadcase = 0, & !< current load case
inc, & !< current increment in current load case
totalIncsCounter = 0, & !< total # of increments
statUnit = 0, & !< file unit for statistics output
currentLoadcase = 0, & !< current load case
inc, & !< current increment in current load case
totalIncsCounter = 0, & !< total # of increments
statUnit = 0, & !< file unit for statistics output
stagIter, &
stagItMax, & !< max number of field level staggered iterations
stagItMax, & !< max number of field level staggered iterations
nActiveFields = 0
character(len=pStringLen), dimension(:), allocatable :: fileContent
character(len=pStringLen) :: &
incInfo, &
loadcase_string
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
procedure(grid_mech_spectral_basic_init), pointer :: &
@ -163,13 +163,13 @@ program DAMASK_grid
fileContent = IO_readlines(trim(loadCaseFile))
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
allocate (loadCases(0)) ! array of load cases
allocate (loadCases(0)) ! array of load cases
do currentLoadCase = 1, size(fileContent)
line = fileContent(currentLoadCase)
if (IO_isBlank(line)) cycle
chunkPos = IO_stringPos(line)
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('l','fdot','dotf','f')
N_def = N_def + 1
@ -179,12 +179,12 @@ program DAMASK_grid
N_n = N_n + 1
end select
enddo
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
newLoadCase%stress%myType='stress'
field = 1
newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
field = field + 1
newLoadCase%ID(field) = FIELD_THERMAL_ID
@ -197,9 +197,9 @@ program DAMASK_grid
call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal))
readIn: do i = 1, chunkPos(1)
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
temp_valueVector = 0.0_pReal
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
newLoadCase%deformation%myType = 'fdot'
else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
@ -208,41 +208,41 @@ program DAMASK_grid
newLoadCase%deformation%myType = 'l'
endif
do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo
newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical) ! float (1.0/0.0) mask in 3x3 notation
newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
case('p','stress', 's')
temp_valueVector = 0.0_pReal
do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo
newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical)
newLoadCase%stress%values = math_9to33(temp_valueVector)
case('t','time','delta') ! increment time
case('t','time','delta') ! increment time
newLoadCase%time = IO_floatValue(line,chunkPos,i+1)
case('n','incs','increments') ! number of increments
case('n','incs','increments') ! number of increments
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
case('logincs','logincrements') ! number of increments (switch to log time scaling)
case('logincs','logincrements') ! number of increments (switch to log time scaling)
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
newLoadCase%logscale = 1
case('freq','frequency','outputfreq') ! frequency of result writings
case('freq','frequency','outputfreq') ! frequency of result writings
newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1)
case('r','restart','restartwrite') ! frequency of writing restart information
case('r','restart','restartwrite') ! frequency of writing restart information
newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1)
case('guessreset','dropguessing')
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles
temp_valueVector = 0.0_pReal
l = 1 ! assuming values given in degrees
k = 1 ! assuming keyword indicating degree/radians present
l = 1 ! assuming values given in degrees
k = 1 ! assuming keyword indicating degree/radians present
select case (IO_lc(IO_stringValue(line,chunkPos,i+1)))
case('deg','degree')
case('rad','radian') ! don't convert from degree to radian
case('rad','radian') ! don't convert from degree to radian
l = 0
case default
k = 0
@ -251,7 +251,7 @@ program DAMASK_grid
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
enddo
call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1))
case('rotation','rot') ! assign values for the rotation matrix
case('rotation','rot') ! assign values for the rotation matrix
temp_valueVector = 0.0_pReal
do j = 1, 9
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
@ -260,16 +260,17 @@ program DAMASK_grid
end select
enddo readIn
newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case
newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case
reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase
if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
if (.not. newLoadCase%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then
do j = 1, 3
if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
enddo
write(6,'(2x,a)') 'velocity gradient:'
else if (newLoadCase%deformation%myType == 'f') then
@ -286,9 +287,9 @@ program DAMASK_grid
enddo; write(6,'(/)',advance='no')
enddo
if (any(newLoadCase%stress%maskLogical .eqv. &
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) &
.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:'
do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%maskLogical(i,j)) then
@ -300,22 +301,22 @@ program DAMASK_grid
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
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:',&
transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) &
write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck
loadCases = [loadCases,newLoadCase] ! load case is ok, append it
loadCases = [loadCases,newLoadCase] ! load case is ok, append it
enddo
@ -341,7 +342,7 @@ program DAMASK_grid
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
write(6,'(/,a)') ' header of statistics file written out'
flush(6)
@ -357,25 +358,25 @@ program DAMASK_grid
endif writeUndeformed
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(currentLoadCase)%incs
totalIncsCounter = totalIncsCounter + 1
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc ! last timeinc that brought former inc to an end
if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale
timeIncOld = timeinc ! last timeinc that brought former inc to an end
if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
else
if (currentLoadCase == 1) then ! 1st load case of logarithmic scale
if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st load case of logarithmic scale
if (currentLoadCase == 1) then ! 1st load case of logarithmic scale
if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1-loadCases(1)%incs ,pReal))
endif
else ! not-1st load case of logarithmic scale
else ! not-1st load case of logarithmic scale
timeinc = time0 * &
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))&
@ -383,18 +384,18 @@ program DAMASK_grid
real(loadCases(currentLoadCase)%incs ,pReal)))
endif
endif
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step
time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step
!--------------------------------------------------------------------------------------------------
! report begin of new step
@ -447,45 +448,45 @@ program DAMASK_grid
end select
if (.not. solres(field)%converged) exit ! no solution found
if (.not. solres(field)%converged) exit ! no solution found
enddo
stagIter = stagIter + 1
stagIterate = stagIter < stagItMax &
.and. all(solres(:)%converged) &
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo
!--------------------------------------------------------------------------------------------------
! check solution for either advance or retry
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found
call mech_updateCoords
timeIncOld = timeinc
cutBack = .false.
guess = .true. ! start guessing after first converged (sub)inc
guess = .true. ! start guessing after first converged (sub)inc
if (worldrank == 0) then
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
solres%converged, solres%iterationsNeeded
flush(statUnit)
endif
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
cutBack = .true.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
write(6,'(/,a)') ' cutting back '
else ! no more options to continue
else ! no more options to continue
call IO_warning(850)
if (worldrank == 0) close(statUnit)
call quit(0) ! quit
call quit(0) ! quit
endif
enddo subStepLooping
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
@ -493,7 +494,7 @@ program DAMASK_grid
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................'
flush(6)
call CPFEM_results(totalIncsCounter,time)
@ -514,6 +515,6 @@ program DAMASK_grid
write(6,'(/,a)') ' ###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)
call quit(0) ! no complains ;)
end program DAMASK_grid