made new spectral solver the default (no need for SOLVER=NEW anymore) and added additional warnings switche to be used with gfortran >= 4.6
added comments
This commit is contained in:
parent
ec9e7908a6
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566b680319
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@ -7,7 +7,8 @@
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!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
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!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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program DAMASK_spectral_Driver
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program DAMASK_spectral_Driver
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use, intrinsic :: &
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iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
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use DAMASK_interface, only: &
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use DAMASK_interface, only: &
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DAMASK_interface_init, &
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DAMASK_interface_init, &
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loadCaseFile, &
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loadCaseFile, &
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@ -17,8 +18,7 @@ program DAMASK_spectral_Driver
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appendToOutFile
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appendToOutFile
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use prec, only: &
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use prec, only: &
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pInt, &
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pInt, &
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pReal, &
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pReal
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DAMASK_NaN
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use IO, only: &
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use IO, only: &
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IO_isBlank, &
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IO_isBlank, &
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IO_open_file, &
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IO_open_file, &
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@ -78,33 +78,49 @@ program DAMASK_spectral_Driver
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! variables related to information from load case and geom file
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
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logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
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integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
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integer(pInt), parameter :: maxNchunks = (1_pInt + 9_pInt)*3_pInt + & ! deformation, rotation, and stress
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(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
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(1_pInt + 1_pInt)*5_pInt + & ! time, (log)incs, temp, restartfrequency, and outputfrequency
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1_pInt ! dropguessing
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1_pInt, & ! dropguessing
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integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
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myUnit = 234_pInt !< file unit, DAMASK IO does not support newunit feature
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integer(pInt), dimension(1_pInt + maxNchunks*2_pInt) :: positions ! this is longer than needed for geometry parsing
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integer(pInt) :: &
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integer(pInt) :: &
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N_l = 0_pInt, &
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N_l = 0_pInt, &
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N_t = 0_pInt, &
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N_t = 0_pInt, &
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N_n = 0_pInt, &
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N_n = 0_pInt, &
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N_Fdot = 0_pInt, & !
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N_Fdot = 0_pInt
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myUnit = 234_pInt
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character(len=1024) :: &
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character(len=1024) :: &
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line
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line
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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! loop variables, convergence etc.
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real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeros = 0.0_pReal
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real(pReal), dimension(3,3), parameter :: &
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval, previous time interval
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ones = 1.0_pReal, &
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logical :: guess
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zeros = 0.0_pReal
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integer(pInt) :: i, j, k, l, errorID, cutBackLevel = 0_pInt, stepFraction = 0_pInt
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real(pReal) :: &
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integer(pInt) :: currentLoadcase = 0_pInt, inc, &
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time = 0.0_pReal, & !< elapsed time
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totalIncsCounter = 0_pInt,&
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time0 = 0.0_pReal, & !< begin of interval
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notConvergedCounter = 0_pInt, convergedCounter = 0_pInt, &
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timeinc = 1.0_pReal, & !< current time interval
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resUnit = 0_pInt, statUnit = 0_pInt, lastRestartWritten = 0_pInt
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timeinc_old = 0.0_pReal ! !< previous time interval
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logical :: &
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guess !< guess along former trajectory
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integer(pInt) :: &
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i, j, k, l, &
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errorID, &
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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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currentLoadcase = 0_pInt, & !< current load case
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inc, & !< current increment in current load case
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totalIncsCounter = 0_pInt, & !< total No. of increments
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convergedCounter = 0_pInt, & !< No. of converged increments
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notConvergedCounter = 0_pInt, & !< No. of non-converged increments
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resUnit = 0_pInt, & !< file unit for results writing
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statUnit = 0_pInt, & !< file unit for statistics output
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lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
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character(len=6) :: loadcase_string
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character(len=6) :: loadcase_string
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character(len=1024) :: incInfo
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character(len=1024) :: incInfo !< string parsed to solution with information about current load case
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type(tLoadCase), allocatable, dimension(:) :: loadCases
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type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
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type(tSolutionState) solres
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type(tSolutionState) solres
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -122,8 +138,8 @@ program DAMASK_spectral_Driver
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do
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do
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read(myUnit,'(a1024)',END = 100) line
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read(myUnit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_isBlank(line)) cycle ! skip empty lines
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positions = IO_stringPos(line,maxNchunksLoadcase)
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positions = IO_stringPos(line,maxNchunks)
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do i = 1_pInt, maxNchunksLoadcase, 1_pInt ! reading compulsory parameters for loadcase
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do i = 1_pInt, maxNchunks, 1_pInt ! reading compulsory parameters for loadcase
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select case (IO_lc(IO_stringValue(line,positions,i)))
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select case (IO_lc(IO_stringValue(line,positions,i)))
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case('l','velocitygrad','velgrad','velocitygradient')
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case('l','velocitygrad','velgrad','velocitygradient')
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N_l = N_l + 1_pInt
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N_l = N_l + 1_pInt
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@ -139,7 +155,7 @@ program DAMASK_spectral_Driver
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100 if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
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100 if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! 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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call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
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allocate (loadCases(N_n))
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allocate (loadCases(N_n)) ! array of load cases
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loadCases%P%myType='p'
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loadCases%P%myType='p'
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -149,8 +165,8 @@ program DAMASK_spectral_Driver
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read(myUnit,'(a1024)',END = 101) line
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read(myUnit,'(a1024)',END = 101) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_isBlank(line)) cycle ! skip empty lines
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currentLoadCase = currentLoadCase + 1_pInt
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currentLoadCase = currentLoadCase + 1_pInt
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positions = IO_stringPos(line,maxNchunksLoadcase)
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positions = IO_stringPos(line,maxNchunks)
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do i = 1_pInt,maxNchunksLoadcase
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do i = 1_pInt,maxNchunks
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select case (IO_lc(IO_stringValue(line,positions,i)))
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select case (IO_lc(IO_stringValue(line,positions,i)))
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case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
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case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
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temp_valueVector = 0.0_pReal
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temp_valueVector = 0.0_pReal
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@ -160,19 +176,20 @@ program DAMASK_spectral_Driver
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else
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else
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loadCases(currentLoadCase)%deformation%myType = 'l'
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loadCases(currentLoadCase)%deformation%myType = 'l'
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endif
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endif
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not a *
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do j = 1_pInt,9_pInt
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do j = 1_pInt,9_pInt
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
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enddo
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enddo
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loadCases(currentLoadCase)%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
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loadCases(currentLoadCase)%deformation%maskFloat = merge(ones,zeros,&
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transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%deformation%maskLogical)
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loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
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loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector)
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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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case('p','pk1','piolakirchhoff','stress')
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case('p','pk1','piolakirchhoff','stress')
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temp_valueVector = 0.0_pReal
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temp_valueVector = 0.0_pReal
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not a *
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do j = 1_pInt,9_pInt
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do j = 1_pInt,9_pInt
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
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enddo
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enddo
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loadCases(currentLoadCase)%P%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%P%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%P%maskFloat = merge(ones,zeros,&
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loadCases(currentLoadCase)%P%maskFloat = merge(ones,zeros,&
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@ -190,7 +207,8 @@ program DAMASK_spectral_Driver
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case('f','freq','frequency','outputfreq') ! frequency of result writings
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case('f','freq','frequency','outputfreq') ! frequency of result writings
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loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
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loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
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case('r','restart','restartwrite') ! frequency of writing restart information
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case('r','restart','restartwrite') ! frequency of writing restart information
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loadCases(currentLoadCase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt))
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loadCases(currentLoadCase)%restartfrequency = &
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max(0_pInt,IO_intValue(line,positions,i+1_pInt))
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case('guessreset','dropguessing')
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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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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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case('euler') ! rotation of currentLoadCase given in euler angles
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checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
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checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
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write (loadcase_string, '(i6)' ) currentLoadCase
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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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write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
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if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
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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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write(6,'(2x,a)') 'drop guessing along trajectory'
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if (loadCases(currentLoadCase)%deformation%myType=='l') then
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if (loadCases(currentLoadCase)%deformation%myType=='l') then
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@ -237,7 +254,7 @@ program DAMASK_spectral_Driver
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endif
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endif
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write(6,'(3(3(3x,f12.7,1x)/))',advance='no') &
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write(6,'(3(3(3x,f12.7,1x)/))',advance='no') &
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merge(math_transpose33(loadCases(currentLoadCase)%deformation%values), &
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merge(math_transpose33(loadCases(currentLoadCase)%deformation%values), &
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), &
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reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), & ! print *** (huge) for undefined
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transpose(loadCases(currentLoadCase)%deformation%maskLogical))
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transpose(loadCases(currentLoadCase)%deformation%maskLogical))
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if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. &
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if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. &
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loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
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loadCases(currentLoadCase)%outputfrequency
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loadCases(currentLoadCase)%outputfrequency
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write(6,'(2x,a,i5,/)') 'restart frequency: ', &
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write(6,'(2x,a,i5,/)') 'restart frequency: ', &
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loadCases(currentLoadCase)%restartfrequency
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loadCases(currentLoadCase)%restartfrequency
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if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
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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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enddo checkLoadcases
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on selected solver
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select case (myspectralsolver)
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select case (myspectralsolver)
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case (DAMASK_spectral_SolverBasic_label)
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case (DAMASK_spectral_SolverBasic_label)
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call basic_init()
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call basic_init()
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@ -285,15 +304,15 @@ program DAMASK_spectral_Driver
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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! write header of output file
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if (appendToOutFile) then
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if (appendToOutFile) then ! after restart, append to existing results file
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
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'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED', position='APPEND', status='OLD')
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'.sta',form='FORMATTED', position='APPEND', status='OLD')
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else
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else ! open new files ...
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.spectralOut',form='UNFORMATTED',status='REPLACE')
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'.spectralOut',form='UNFORMATTED',status='REPLACE')
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write(resUnit) 'load', trim(loadCaseFile)
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write(resUnit) 'load', trim(loadCaseFile) ! ... and write header
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write(resUnit) 'workingdir', trim(getSolverWorkingDirectoryName())
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write(resUnit) 'workingdir', trim(getSolverWorkingDirectoryName())
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write(resUnit) 'geometry', trim(geometryFile)
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write(resUnit) 'geometry', trim(geometryFile)
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write(resUnit) 'resolution', res
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write(resUnit) 'resolution', res
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@ -309,7 +328,7 @@ program DAMASK_spectral_Driver
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write(resUnit) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! initial (non-deformed or read-in) results
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write(resUnit) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! initial (non-deformed or read-in) results
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.sta',form='FORMATTED',status='REPLACE')
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'.sta',form='FORMATTED',status='REPLACE')
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded'
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write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
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if (debugGeneral) write(6,'(a)') 'Header of result file written out'
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if (debugGeneral) write(6,'(a)') 'Header of result file written out'
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endif
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endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -340,21 +359,24 @@ program DAMASK_spectral_Driver
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timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
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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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endif
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else ! not-1st currentLoadCase of logarithmic scale
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else ! not-1st currentLoadCase of logarithmic scale
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timeinc = time0 *( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
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timeinc = time0 * &
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real(loadCases(currentLoadCase)%incs ,pReal))&
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( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
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-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
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real(loadCases(currentLoadCase)%incs ,pReal))&
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real(loadCases(currentLoadCase)%incs ,pReal)) )
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-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
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real(loadCases(currentLoadCase)%incs ,pReal)))
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endif
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endif
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endif
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endif
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timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal)
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timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
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if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
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if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
|
||||||
stepFraction = 0_pInt
|
stepFraction = 0_pInt
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! report begin of new increment
|
! loop over sub incs
|
||||||
subIncLooping: do while (stepFraction/2_pInt**cutBackLevel <1_pInt)
|
subIncLooping: do while (stepFraction/2_pInt**cutBackLevel <1_pInt)
|
||||||
time = time + timeinc
|
time = time + timeinc ! forward time
|
||||||
stepFraction = stepFraction + 1_pInt
|
stepFraction = stepFraction + 1_pInt
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! report begin of new increment
|
||||||
write(6,'(1/,a)') '###########################################################################'
|
write(6,'(1/,a)') '###########################################################################'
|
||||||
write(6,'(a,es12.5'//&
|
write(6,'(a,es12.5'//&
|
||||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||||
|
@ -370,6 +392,8 @@ program DAMASK_spectral_Driver
|
||||||
'-',stepFraction, '/', 2_pInt**cutBackLevel
|
'-',stepFraction, '/', 2_pInt**cutBackLevel
|
||||||
select case(myspectralsolver)
|
select case(myspectralsolver)
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! calculate solution
|
||||||
case (DAMASK_spectral_SolverBasic_label)
|
case (DAMASK_spectral_SolverBasic_label)
|
||||||
solres = basic_solution (&
|
solres = basic_solution (&
|
||||||
incInfo, guess,timeinc,timeinc_old, &
|
incInfo, guess,timeinc,timeinc_old, &
|
||||||
|
@ -395,50 +419,52 @@ program DAMASK_spectral_Driver
|
||||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||||
#endif
|
#endif
|
||||||
end select
|
end select
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! check solution
|
||||||
cutBack = .False.
|
cutBack = .False.
|
||||||
if(solres%termIll .or. .not. solres%converged) then ! no solution found
|
if(solres%termIll .or. .not. solres%converged) then ! no solution found
|
||||||
if (cutBackLevel < maxCutBack) then ! do cut back
|
if (cutBackLevel < maxCutBack) then ! do cut back
|
||||||
write(6,'(/,a)') 'cut back detected'
|
write(6,'(/,a)') 'cut back detected'
|
||||||
cutBack = .True.
|
cutBack = .True.
|
||||||
stepFraction = (stepFraction - 1_pInt) * 2_pInt**cutBackLevel
|
stepFraction = (stepFraction - 1_pInt) * 2_pInt**cutBackLevel ! adjust to new denominator
|
||||||
cutBackLevel = cutBackLevel + 1_pInt
|
cutBackLevel = cutBackLevel + 1_pInt
|
||||||
time = time - timeinc
|
time = time - timeinc ! rewind time
|
||||||
timeinc_old = timeinc
|
timeinc_old = timeinc
|
||||||
timeinc = timeinc/2.0_pReal
|
timeinc = timeinc/2.0_pReal
|
||||||
elseif (solres%termIll) then ! material point model cannot find a solution
|
elseif (solres%termIll) then ! material point model cannot find a solution
|
||||||
if(regridMode > 0_pInt) call quit(-1*(lastRestartWritten+1))
|
if(regridMode > 0_pInt) call quit(-1*(lastRestartWritten+1)) ! regrid requested (mode 1 or 2)
|
||||||
call IO_error(850_pInt)
|
call IO_error(850_pInt) ! no regrid (give up)
|
||||||
else
|
else
|
||||||
if(regridMode == 2_pInt) call quit(-1*(lastRestartWritten+1))
|
if(regridMode == 2_pInt) call quit(-1*(lastRestartWritten+1)) ! regrid also if BVP solver do not converge
|
||||||
guess = .true. ! start guessing after first accepted (not converged) (sub)inc
|
guess = .true. ! continue from non-converged solution and start guessing after accepted (sub)inc
|
||||||
endif
|
endif
|
||||||
else
|
else
|
||||||
guess = .true. ! start guessing after first converged (sub)inc
|
guess = .true. ! start guessing after first converged (sub)inc
|
||||||
endif
|
endif
|
||||||
if(guess) &
|
if(guess) & ! write statistics about accepted solution
|
||||||
write(statUnit,*) inc, time, cutBackLevel, solres%converged, solres%iterationsNeeded
|
write(statUnit,*) inc, time, cutBackLevel, solres%converged, solres%iterationsNeeded
|
||||||
enddo subIncLooping
|
enddo subIncLooping
|
||||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half subincs next inc
|
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||||
if(solres%converged) then
|
if(solres%converged) then ! report converged inc
|
||||||
convergedCounter = convergedCounter + 1_pInt
|
convergedCounter = convergedCounter + 1_pInt
|
||||||
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
|
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
|
||||||
'increment ', totalIncsCounter, ' converged'
|
'increment ', totalIncsCounter, ' converged'
|
||||||
else
|
else
|
||||||
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
|
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') & ! report non-converged inc
|
||||||
'increment ', totalIncsCounter, ' NOT converged'
|
'increment ', totalIncsCounter, ' NOT converged'
|
||||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||||
write(6,'(1/,a)') '... writing results to file ......................................'
|
write(6,'(1/,a)') '... writing results to file ......................................'
|
||||||
write(resUnit) materialpoint_results ! write result to file
|
write(resUnit) materialpoint_results ! write result to file
|
||||||
endif
|
endif
|
||||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
|
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
|
||||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||||
restartWrite = .true.
|
restartWrite = .true.
|
||||||
lastRestartWritten = inc
|
lastRestartWritten = inc
|
||||||
endif
|
endif
|
||||||
else !just time forwarding
|
else !just time forwarding
|
||||||
time = time + timeinc
|
time = time + timeinc
|
||||||
guess = .true.
|
guess = .true.
|
||||||
endif ! end calculation/forwarding
|
endif ! end calculation/forwarding
|
||||||
|
@ -459,6 +485,8 @@ program DAMASK_spectral_Driver
|
||||||
#endif
|
#endif
|
||||||
end select
|
end select
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
! done report summary
|
||||||
write(6,'(a)') ''
|
write(6,'(a)') ''
|
||||||
write(6,'(a)') '##################################################################'
|
write(6,'(a)') '##################################################################'
|
||||||
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||||
|
@ -467,8 +495,8 @@ program DAMASK_spectral_Driver
|
||||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||||
' %) increments converged!'
|
' %) increments converged!'
|
||||||
close(resUnit)
|
close(resUnit)
|
||||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
|
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
|
||||||
call quit(0_pInt)
|
call quit(0_pInt) ! no complains ;)
|
||||||
|
|
||||||
end program DAMASK_spectral_Driver
|
end program DAMASK_spectral_Driver
|
||||||
|
|
||||||
|
|
|
@ -51,14 +51,14 @@ module DAMASK_spectral_utilities
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! derived types
|
! derived types
|
||||||
type tSolutionState !< return type of solution from spectral solver variants
|
type tSolutionState !< return type of solution from spectral solver variants
|
||||||
logical :: converged = .true.
|
logical :: converged = .true.
|
||||||
logical :: regrid = .false.
|
logical :: regrid = .false.
|
||||||
logical :: termIll = .false.
|
logical :: termIll = .false.
|
||||||
integer(pInt) :: iterationsNeeded = 0_pInt
|
integer(pInt) :: iterationsNeeded = 0_pInt
|
||||||
end type tSolutionState
|
end type tSolutionState
|
||||||
|
|
||||||
type tBoundaryCondition !< set of parameters defining a boundary condition
|
type tBoundaryCondition !< set of parameters defining a boundary condition
|
||||||
real(pReal), dimension(3,3) :: values = 0.0_pReal
|
real(pReal), dimension(3,3) :: values = 0.0_pReal
|
||||||
real(pReal), dimension(3,3) :: maskFloat = 0.0_pReal
|
real(pReal), dimension(3,3) :: maskFloat = 0.0_pReal
|
||||||
logical, dimension(3,3) :: maskLogical = .false.
|
logical, dimension(3,3) :: maskLogical = .false.
|
||||||
|
|
142
code/Makefile
142
code/Makefile
|
@ -9,17 +9,17 @@ SHELL = /bin/sh
|
||||||
#
|
#
|
||||||
# Install fftw3 (v3.3 is tested):
|
# Install fftw3 (v3.3 is tested):
|
||||||
# + execute
|
# + execute
|
||||||
# ./configure --enable-threads --enable-sse2 --enable-shared [-enable-float]
|
# ./configure --enable-threads --enable-sse2 --enable-shared
|
||||||
# make
|
# make
|
||||||
# make install
|
# make install
|
||||||
# + specify in the "pathinfo:FFTW" where FFTW was installed.
|
# + specify in the "pathinfo:FFTW" where FFTW was installed.
|
||||||
# We essentially look for two library files "lib/libfftw3_threads" and "lib/libfftw3",
|
# We essentially look for two library files "lib/libfftw3_threads" and "lib/libfftw3",
|
||||||
# so you can copy those, for instance,
|
# so you can copy those, for instance,
|
||||||
# into DAMASK_ROOT/lib/fftw/lib/ and specify "./fftw/" as pathinfo:FFTW
|
# into DAMASK_ROOT/lib/fftw/lib/ and specify "./fftw/" as pathinfo:FFTW
|
||||||
# Use --enable-float in above configure for single precision...
|
|
||||||
# Uses linux threads to parallelize fftw3
|
# Uses linux threads to parallelize fftw3
|
||||||
#
|
#
|
||||||
# Instead of the AMD Core Math Library a standard "lib(64)/liblapack.a/dylib/etc." can be used.
|
# Instead of the AMD Core Math Library or the Intel Kernel Math Library
|
||||||
|
# a standard "lib(64)/liblapack.a/dylib/etc." can be used.
|
||||||
# leave pathinfo:ACML and pathinfo:IKML blank, but specify as pathinfo:LAPACK where the library folder is located
|
# leave pathinfo:ACML and pathinfo:IKML blank, but specify as pathinfo:LAPACK where the library folder is located
|
||||||
########################################################################################
|
########################################################################################
|
||||||
# OPTIONS = standard (alternative): meaning
|
# OPTIONS = standard (alternative): meaning
|
||||||
|
@ -111,13 +111,11 @@ endif
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
|
||||||
ifeq "$(SOLVER)" "NEW"
|
|
||||||
ifdef PETSC_DIR
|
ifdef PETSC_DIR
|
||||||
include ${PETSC_DIR}/conf/variables
|
include ${PETSC_DIR}/conf/variables
|
||||||
INCLUDE_DIRS +=${PETSC_FC_INCLUDES} -DPETSc
|
INCLUDE_DIRS +=${PETSC_FC_INCLUDES} -DPETSc
|
||||||
LIBRARIES +=${PETSC_WITH_EXTERNAL_LIB}
|
LIBRARIES +=${PETSC_WITH_EXTERNAL_LIB}
|
||||||
endif
|
endif
|
||||||
endif
|
|
||||||
|
|
||||||
ifdef STANDARD_CHECK
|
ifdef STANDARD_CHECK
|
||||||
STANDARD_CHECK_ifort =$(STANDARD_CHECK)
|
STANDARD_CHECK_ifort =$(STANDARD_CHECK)
|
||||||
|
@ -127,9 +125,9 @@ endif
|
||||||
ifneq "$(FASTBUILD)" "YES"
|
ifneq "$(FASTBUILD)" "YES"
|
||||||
STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics -warn stderrors
|
STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics -warn stderrors
|
||||||
STANDARD_CHECK_gfortran ?=-std=f2008 -fall-intrinsics
|
STANDARD_CHECK_gfortran ?=-std=f2008 -fall-intrinsics
|
||||||
#-std=2008ts for newer gfortran
|
|
||||||
endif
|
endif
|
||||||
#-fall-intrinsics: all intrinsic procedures (including the GNU-specific extensions) are accepted. This can be useful with -std=f95 to force standard-compliance
|
#-fall-intrinsics: all intrinsic procedures (including the GNU-specific extensions) are accepted. This can be useful with -std=f95 to force standard-compliance
|
||||||
|
#-std=f2008ts: for newer gfortran
|
||||||
# but get access to the full range of intrinsics available with gfortran. As a consequence, -Wintrinsics-std will be ignored and no user-defined
|
# but get access to the full range of intrinsics available with gfortran. As a consequence, -Wintrinsics-std will be ignored and no user-defined
|
||||||
# procedure with the same name as any intrinsic will be called except when it is explicitly declared external
|
# procedure with the same name as any intrinsic will be called except when it is explicitly declared external
|
||||||
#-Wintrinsics-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers
|
#-Wintrinsics-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers
|
||||||
|
@ -221,7 +219,12 @@ COMPILE_OPTIONS_gfortran :=$(COMPILE_OPTIONS_gfortran)\
|
||||||
-Wunsafe-loop-optimizations\
|
-Wunsafe-loop-optimizations\
|
||||||
-Wunused\
|
-Wunused\
|
||||||
-Wall\
|
-Wall\
|
||||||
-Wextra
|
-Wextra\
|
||||||
|
-Wsuggest-attribute=const\
|
||||||
|
-Wsuggest-attribute=pure\
|
||||||
|
-Wsuggest-attribute=noreturn\
|
||||||
|
-Wreal-q-constant\
|
||||||
|
-pedantic-errors
|
||||||
endif
|
endif
|
||||||
|
|
||||||
#-xf95-cpp-input: preprocessor
|
#-xf95-cpp-input: preprocessor
|
||||||
|
@ -246,13 +249,8 @@ endif
|
||||||
# -value:
|
# -value:
|
||||||
# -parameter: find usused variables with "parameter" attribute
|
# -parameter: find usused variables with "parameter" attribute
|
||||||
#-Wextra:
|
#-Wextra:
|
||||||
|
#-Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
#OPTIONS FOR GFORTRAN 4.6
|
|
||||||
#-Wsuggest-attribute=const:
|
|
||||||
#-Wsuggest-attribute=noreturn:
|
|
||||||
#-Wsuggest-attribute=pure:
|
|
||||||
#-Wreal-q-constant: Warn about real-literal-constants with 'q' exponent-letter
|
|
||||||
#
|
|
||||||
#MORE OPTIONS FOR DEBUGGING DURING COMPILING
|
#MORE OPTIONS FOR DEBUGGING DURING COMPILING
|
||||||
#-Wline-truncation: too many warnings because we have comments beyond character 132
|
#-Wline-truncation: too many warnings because we have comments beyond character 132
|
||||||
#-Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
#-Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
||||||
|
@ -286,15 +284,14 @@ COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o numerics.o debug.o math
|
||||||
FEsolving.o mesh.o material.o lattice.o \
|
FEsolving.o mesh.o material.o lattice.o \
|
||||||
constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o \
|
constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o \
|
||||||
constitutive_titanmod.o constitutive_nonlocal.o constitutive_none.o constitutive.o crystallite.o \
|
constitutive_titanmod.o constitutive_nonlocal.o constitutive_none.o constitutive.o crystallite.o \
|
||||||
homogenization_RGC.o homogenization_isostrain.o homogenization.o CPFEM.o
|
homogenization_RGC.o homogenization_isostrain.o homogenization.o CPFEM.o \
|
||||||
|
DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o
|
||||||
|
|
||||||
|
|
||||||
ifeq "$(SOLVER)" "NEW"
|
|
||||||
ifdef PETSC_DIR
|
ifdef PETSC_DIR
|
||||||
PETSC_FILES = DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o
|
PETSC_FILES = DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o
|
||||||
|
COMPILED_FILES += $(PETSC_FILES)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
COMPILED_FILES += DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o $(PETSC_FILES)
|
|
||||||
|
|
||||||
DAMASK_spectral.exe: DAMASK_spectral_driver.o
|
DAMASK_spectral.exe: DAMASK_spectral_driver.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
|
$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
|
||||||
|
@ -315,89 +312,80 @@ DAMASK_spectral_solverBasicPETSc.o: DAMASK_spectral_solverBasicPETSc.f90\
|
||||||
|
|
||||||
DAMASK_spectral_utilities.o: DAMASK_spectral_utilities.f90\
|
DAMASK_spectral_utilities.o: DAMASK_spectral_utilities.f90\
|
||||||
CPFEM.o
|
CPFEM.o
|
||||||
else
|
CPFEM.o: CPFEM.f90\
|
||||||
DAMASK_spectral.exe: DAMASK_spectral.o
|
homogenization.o
|
||||||
$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
|
|
||||||
-o DAMASK_spectral.exe DAMASK_spectral.o \
|
|
||||||
$(COMPILED_FILES) $(LIB_DIRS) $(LIBRARIES) $(SUFFIX)
|
|
||||||
|
|
||||||
DAMASK_spectral.o: DAMASK_spectral.f90 CPFEM.o
|
homogenization.o: homogenization.f90\
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE_MAXOPTI) -c DAMASK_spectral.f90 $(SUFFIX)
|
homogenization_RGC.o \
|
||||||
endif
|
homogenization_isostrain.o
|
||||||
CPFEM.o: CPFEM.f90\
|
|
||||||
homogenization.o
|
|
||||||
|
|
||||||
homogenization.o: homogenization.f90\
|
homogenization_RGC.o: homogenization_RGC.f90 \
|
||||||
homogenization_RGC.o \
|
crystallite.o
|
||||||
homogenization_isostrain.o
|
|
||||||
|
|
||||||
homogenization_RGC.o: homogenization_RGC.f90 \
|
homogenization_isostrain.o: homogenization_isostrain.f90 \
|
||||||
crystallite.o
|
crystallite.o
|
||||||
|
|
||||||
homogenization_isostrain.o: homogenization_isostrain.f90 \
|
crystallite.o: crystallite.f90 \
|
||||||
crystallite.o
|
constitutive.o
|
||||||
|
|
||||||
crystallite.o: crystallite.f90 \
|
constitutive.o: constitutive.f90 \
|
||||||
constitutive.o
|
constitutive_nonlocal.o \
|
||||||
|
constitutive_titanmod.o \
|
||||||
|
constitutive_dislotwin.o \
|
||||||
|
constitutive_phenopowerlaw.o \
|
||||||
|
constitutive_j2.o \
|
||||||
|
constitutive_none.o
|
||||||
|
|
||||||
constitutive.o: constitutive.f90 \
|
constitutive_nonlocal.o: constitutive_nonlocal.f90 \
|
||||||
constitutive_nonlocal.o \
|
lattice.o
|
||||||
constitutive_titanmod.o \
|
|
||||||
constitutive_dislotwin.o \
|
|
||||||
constitutive_phenopowerlaw.o \
|
|
||||||
constitutive_j2.o \
|
|
||||||
constitutive_none.o
|
|
||||||
|
|
||||||
constitutive_nonlocal.o: constitutive_nonlocal.f90 \
|
constitutive_titanmod.o: constitutive_titanmod.f90 \
|
||||||
lattice.o
|
lattice.o
|
||||||
|
|
||||||
constitutive_titanmod.o: constitutive_titanmod.f90 \
|
constitutive_dislotwin.o: constitutive_dislotwin.f90 \
|
||||||
lattice.o
|
lattice.o
|
||||||
|
|
||||||
constitutive_dislotwin.o: constitutive_dislotwin.f90 \
|
constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 \
|
||||||
lattice.o
|
lattice.o
|
||||||
|
|
||||||
constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 \
|
constitutive_j2.o: constitutive_j2.f90 \
|
||||||
lattice.o
|
lattice.o
|
||||||
|
|
||||||
constitutive_j2.o: constitutive_j2.f90 \
|
constitutive_none.o: constitutive_none.f90 \
|
||||||
lattice.o
|
lattice.o
|
||||||
|
|
||||||
constitutive_none.o: constitutive_none.f90 \
|
lattice.o: lattice.f90 \
|
||||||
lattice.o
|
material.o
|
||||||
|
|
||||||
lattice.o: lattice.f90 \
|
material.o: material.f90 \
|
||||||
material.o
|
mesh.o
|
||||||
|
|
||||||
material.o: material.f90 \
|
mesh.o: mesh.f90 \
|
||||||
mesh.o
|
FEsolving.o \
|
||||||
|
math.o
|
||||||
|
|
||||||
mesh.o: mesh.f90 \
|
FEsolving.o: FEsolving.f90 \
|
||||||
FEsolving.o \
|
debug.o
|
||||||
math.o
|
|
||||||
|
|
||||||
FEsolving.o: FEsolving.f90 \
|
math.o: math.f90 \
|
||||||
debug.o
|
debug.o
|
||||||
|
|
||||||
math.o: math.f90 \
|
debug.o: debug.f90 \
|
||||||
debug.o
|
numerics.o
|
||||||
|
|
||||||
debug.o: debug.f90 \
|
numerics.o: numerics.f90 \
|
||||||
numerics.o
|
IO.o
|
||||||
|
|
||||||
numerics.o: numerics.f90 \
|
IO.o: IO.f90 \
|
||||||
IO.o
|
DAMASK_spectral_interface.o
|
||||||
|
|
||||||
IO.o: IO.f90 \
|
DAMASK_spectral_interface.o: DAMASK_spectral_interface.f90 \
|
||||||
DAMASK_spectral_interface.o
|
prec.o
|
||||||
|
|
||||||
DAMASK_spectral_interface.o: DAMASK_spectral_interface.f90 \
|
|
||||||
prec.o
|
|
||||||
ifeq "$(F90)" "gfortran" # fno-range-check because NaN is defined in prec
|
ifeq "$(F90)" "gfortran" # fno-range-check because NaN is defined in prec
|
||||||
prec.o: prec.f90
|
prec.o: prec.f90
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c -fno-range-check prec.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c -fno-range-check prec.f90 $(SUFFIX)
|
||||||
else
|
else
|
||||||
prec.o: prec.f90
|
prec.o: prec.f90
|
||||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c prec.f90 $(SUFFIX)
|
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c prec.f90 $(SUFFIX)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
|
@ -131,12 +131,12 @@ subroutine numerics_init
|
||||||
IO_floatValue, &
|
IO_floatValue, &
|
||||||
IO_intValue, &
|
IO_intValue, &
|
||||||
IO_warning
|
IO_warning
|
||||||
#ifndef Marc ! Use the standard conforming module file for omp if using the spectral solver
|
#ifndef Marc
|
||||||
!$ use OMP_LIB, only: omp_set_num_threads
|
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if not using MSC.Marc
|
||||||
#endif
|
#endif
|
||||||
implicit none
|
implicit none
|
||||||
#ifdef Marc ! use the non F90 standard include file because some versions of Marc and Abaqus crash when using the module
|
#ifdef Marc
|
||||||
!$ include "omp_lib.h"
|
!$ include "omp_lib.h" ! use the non F90 standard include file to prevent crashes with some versions of MSC.Marc
|
||||||
#endif
|
#endif
|
||||||
#ifdef PETSc
|
#ifdef PETSc
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
Loading…
Reference in New Issue