one more loop not needed
This commit is contained in:
Martin Diehl
parent
017563e061
commit
3cb279b083
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@ -115,7 +115,7 @@ program DAMASK_spectral
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stagIterate
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integer(pInt) :: &
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i, j, k, l, field, &
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errorID, &
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errorID = 0_pInt, &
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cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
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stepFraction = 0_pInt !< fraction of current time interval
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integer(pInt) :: &
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@ -166,6 +166,7 @@ program DAMASK_spectral
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if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
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if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
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allocate(solres(nActiveFields))
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allocate(newLoadCase%ID(nActiveFields))
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!--------------------------------------------------------------------------------------------------
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! assign mechanics solver depending on selected type
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@ -188,7 +189,7 @@ program DAMASK_spectral
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end select
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!--------------------------------------------------------------------------------------------------
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! reading basic information from load case file and allocate data structure containing load cases
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! reading information from load case file and to sanity checks
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allocate (loadCases(0)) ! array of load cases
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open(newunit=fileunit,iostat=myStat,file=trim(loadCaseFile),action='read')
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if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=trim(loadCaseFile))
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@ -209,19 +210,17 @@ program DAMASK_spectral
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enddo ! count all identifiers to allocate memory and do sanity check
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if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check
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call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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loadCases = [loadCases,newLoadCase]
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currentLoadCase = currentLoadCase + 1_pInt
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loadCases(currentLoadCase)%stress%myType='stress'
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allocate(loadCases(currentLoadCase)%ID(nActiveFields))
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newLoadCase%stress%myType='stress'
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field = 1
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loadCases(currentLoadCase)%ID(field) = FIELD_MECH_ID ! mechanical active by default
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newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
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thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
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field = field + 1
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loadCases(currentLoadCase)%ID(field) = FIELD_THERMAL_ID
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newLoadCase%ID(field) = FIELD_THERMAL_ID
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endif thermalActive
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damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
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field = field + 1
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loadCases(currentLoadCase)%ID(field) = FIELD_DAMAGE_ID
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newLoadCase%ID(field) = FIELD_DAMAGE_ID
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endif damageActive
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do i = 1_pInt, chunkPos(1)
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@ -230,46 +229,43 @@ program DAMASK_spectral
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temp_valueVector = 0.0_pReal
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if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
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IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
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loadCases(currentLoadCase)%deformation%myType = 'fdot'
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newLoadCase%deformation%myType = 'fdot'
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else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
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loadCases(currentLoadCase)%deformation%myType = 'f'
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newLoadCase%deformation%myType = 'f'
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else
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loadCases(currentLoadCase)%deformation%myType = 'l'
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newLoadCase%deformation%myType = 'l'
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endif
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do j = 1_pInt, 9_pInt
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temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
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enddo
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loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
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transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
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merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical)
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loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
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newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
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newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
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newLoadCase%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
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case('p','pk1','piolakirchhoff','stress', 's')
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temp_valueVector = 0.0_pReal
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do j = 1_pInt, 9_pInt
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temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
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enddo
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loadCases(currentLoadCase)%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%stress%maskFloat = merge(ones,zeros,&
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loadCases(currentLoadCase)%stress%maskLogical)
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loadCases(currentLoadCase)%stress%values = math_plain9to33(temp_valueVector)
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newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical)
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newLoadCase%stress%values = math_plain9to33(temp_valueVector)
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case('t','time','delta') ! increment time
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loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt)
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newLoadCase%time = IO_floatValue(line,chunkPos,i+1_pInt)
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case('n','incs','increments','steps') ! number of increments
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loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
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newLoadCase%incs = IO_intValue(line,chunkPos,i+1_pInt)
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case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
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loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt)
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loadCases(currentLoadCase)%logscale = 1_pInt
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newLoadCase%incs = IO_intValue(line,chunkPos,i+1_pInt)
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newLoadCase%logscale = 1_pInt
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case('freq','frequency','outputfreq') ! frequency of result writings
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loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt)
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newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt)
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case('r','restart','restartwrite') ! frequency of writing restart information
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loadCases(currentLoadCase)%restartfrequency = &
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newLoadCase%restartfrequency = &
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max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt))
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case('guessreset','dropguessing')
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loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of currentLoadCase given in euler angles
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newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of load case given in euler angles
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temp_valueVector = 0.0_pReal
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l = 1_pInt ! assuming values given in degrees
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k = 1_pInt ! assuming keyword indicating degree/radians present
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@ -284,87 +280,79 @@ program DAMASK_spectral
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
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enddo
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if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad
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loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
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case('rotation','rot') ! assign values for the rotation of currentLoadCase matrix
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newLoadCase%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
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case('rotation','rot') ! assign values for the rotation matrix
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temp_valueVector = 0.0_pReal
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do j = 1_pInt, 9_pInt
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
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enddo
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loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
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newLoadCase%rotation = math_plain9to33(temp_valueVector)
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end select
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enddo
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enddo
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currentLoadCase = currentLoadCase + 1_pInt
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if(currentLoadCase == 1_pInt) newLoadCase%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first load case
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close(fileUnit)
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!--------------------------------------------------------------------------------------------------
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! consistency checks and output of load case
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loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
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errorID = 0_pInt
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if (worldrank == 0) then
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checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
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reportAndCheck: if (worldrank == 0) then
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write (loadcase_string, '(i6)' ) currentLoadCase
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write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
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if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
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write(6,'(2x,a)') 'drop guessing along trajectory'
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if (loadCases(currentLoadCase)%deformation%myType == 'l') then
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if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
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if (newLoadCase%deformation%myType == 'l') then
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do j = 1_pInt, 3_pInt
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if (any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
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any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) &
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errorID = 832_pInt ! each row should be either fully or not at all defined
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if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
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any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
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enddo
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write(6,'(2x,a)') 'velocity gradient:'
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else if (loadCases(currentLoadCase)%deformation%myType == 'f') then
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else if (newLoadCase%deformation%myType == 'f') then
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write(6,'(2x,a)') 'deformation gradient at end of load case:'
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else
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write(6,'(2x,a)') 'deformation gradient rate:'
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endif
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do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
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if(loadCases(currentLoadCase)%deformation%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%deformation%values(i,j)
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if(newLoadCase%deformation%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
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else
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write(6,'(2x,12a)',advance='no') ' * '
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endif
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enddo; write(6,'(/)',advance='no')
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enddo
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if (any(loadCases(currentLoadCase)%stress%maskLogical .eqv. &
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loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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if (any(loadCases(currentLoadCase)%stress%maskLogical .and. &
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transpose(loadCases(currentLoadCase)%stress%maskLogical) .and. &
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if (any(newLoadCase%stress%maskLogical .eqv. &
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newLoadCase%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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if (any(newLoadCase%stress%maskLogical .and. &
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transpose(newLoadCase%stress%maskLogical) .and. &
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reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
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errorID = 838_pInt ! no rotation is allowed by stress BC
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write(6,'(2x,a)') 'stress / GPa:'
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do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
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if(loadCases(currentLoadCase)%stress%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%stress%values(i,j)*1e-9_pReal
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if(newLoadCase%stress%maskLogical(i,j)) then
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write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
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else
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write(6,'(2x,12a)',advance='no') ' * '
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endif
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enddo; write(6,'(/)',advance='no')
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enddo
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if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
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math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) > &
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if (any(abs(math_mul33x33(newLoadCase%rotation, &
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transpose(newLoadCase%rotation))-math_I3) > &
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reshape(spread(tol_math_check,1,9),[ 3,3]))&
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.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > &
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.or. abs(math_det33(newLoadCase%rotation)) > &
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1.0_pReal + tol_math_check) errorID = 846_pInt ! given rotation matrix contains strain
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if (any(dNeq(loadCases(currentLoadCase)%rotation, math_I3))) &
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if (any(dNeq(newLoadCase%rotation, math_I3))) &
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write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
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math_transpose33(loadCases(currentLoadCase)%rotation)
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if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
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if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
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if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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write(6,'(2x,a,i5)') 'output frequency: ', &
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loadCases(currentLoadCase)%outputfrequency
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write(6,'(2x,a,i5,/)') 'restart frequency: ', &
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loadCases(currentLoadCase)%restartfrequency
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transpose(newLoadCase%rotation)
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if (newLoadCase%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
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write(6,'(2x,a,f12.6)') 'time: ', newLoadCase%time
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if (newLoadCase%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
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write(6,'(2x,a,i5)') 'increments: ', newLoadCase%incs
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if (newLoadCase%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
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write(6,'(2x,a,i5)') 'output frequency: ', newLoadCase%outputfrequency
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write(6,'(2x,a,i5,/)') 'restart frequency: ', newLoadCase%restartfrequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
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enddo checkLoadcases
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endif
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endif reportAndCheck
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loadCases = [loadCases,newLoadCase] ! load case is ok, append it
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enddo
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close(fileUnit)
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on selected solver
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! doing initialization depending on active solvers
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call Utilities_init()
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do field = 1, nActiveFields
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select case (loadCases(1)%ID(field))
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@ -444,13 +432,13 @@ program DAMASK_spectral
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fileOffset = fileOffset + sum(outputSize) ! forward to current file position
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endif writeUndeformed
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!--------------------------------------------------------------------------------------------------
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! looping over loadcases
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! looping over load cases
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loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
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time0 = time ! currentLoadCase start time
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time0 = time ! load case start time
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guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
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!--------------------------------------------------------------------------------------------------
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! loop over incs defined in input file for current currentLoadCase
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! loop over incs defined in input file for current load case
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incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
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totalIncsCounter = totalIncsCounter + 1_pInt
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@ -460,13 +448,13 @@ program DAMASK_spectral
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if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
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timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
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else
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if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
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if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
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if (currentLoadCase == 1_pInt) then ! 1st load case of logarithmic scale
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if (inc == 1_pInt) then ! 1st inc of 1st load case of logarithmic scale
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timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
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else ! not-1st inc of 1st currentLoadCase of logarithmic scale
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else ! not-1st inc of 1st load case of logarithmic scale
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timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
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endif
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else ! not-1st currentLoadCase of logarithmic scale
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else ! not-1st load case of logarithmic scale
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timeinc = time0 * &
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( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
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real(loadCases(currentLoadCase)%incs ,pReal))&
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@ -633,8 +621,7 @@ program DAMASK_spectral
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convergedCounter, ' out of ', &
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notConvergedCounter + convergedCounter, ' (', &
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real(convergedCounter, pReal)/&
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real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
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' %) increments converged!'
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real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
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flush(6)
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call MPI_file_close(resUnit,ierr)
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close(statUnit)
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@ -655,7 +642,10 @@ end program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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subroutine quit(stop_id)
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#include <petsc/finclude/petscsys.h>
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use MPI
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#ifdef _OPENMP
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use MPI, only: &
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MPI_finalize
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#endif
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use prec, only: &
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pInt
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