add MPI_finalize() following Martin & Philip suggestions;
This commit is contained in:
zhangc43
parent
49f94a1cb5
commit
4dfc8d0132
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@ -81,7 +81,7 @@ program DAMASK_spectral
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use spectral_mech_Polarisation
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use spectral_damage
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use spectral_thermal
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implicit none
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@ -93,9 +93,9 @@ program DAMASK_spectral
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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 :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature
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integer(pInt), allocatable, dimension(:) :: chunkPos
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integer(pInt) :: &
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N_t = 0_pInt, & !< # of time indicators found in load case file
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N_t = 0_pInt, & !< # of time indicators found in load case file
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N_n = 0_pInt, & !< # of increment specifiers found in load case file
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N_def = 0_pInt !< # of rate of deformation specifiers found in load case file
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character(len=65536) :: &
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@ -105,7 +105,7 @@ program DAMASK_spectral
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! loop variables, convergence etc.
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real(pReal), dimension(3,3), parameter :: &
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ones = 1.0_pReal, &
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zeros = 0.0_pReal
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zeros = 0.0_pReal
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integer(pInt), parameter :: &
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subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0
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real(pReal) :: &
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@ -150,6 +150,7 @@ program DAMASK_spectral
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MPI_file_get_position, &
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MPI_file_write, &
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MPI_abort, &
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MPI_finalize, &
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MPI_allreduce, &
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PETScFinalize
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@ -159,7 +160,7 @@ program DAMASK_spectral
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write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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!--------------------------------------------------------------------------------------------------
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! initialize field solver information
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nActiveFields = 1
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@ -192,14 +193,14 @@ program DAMASK_spectral
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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)) ! array of load cases
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loadCases%P%myType='p'
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do i = 1, size(loadCases)
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allocate(loadCases(i)%ID(nActiveFields))
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field = 1
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loadCases(i)%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(i)%ID(field) = FIELD_THERMAL_ID
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loadCases(i)%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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@ -231,11 +232,11 @@ program DAMASK_spectral
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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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enddo
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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,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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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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@ -259,10 +260,10 @@ program DAMASK_spectral
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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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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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loadCases(currentLoadCase)%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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max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt))
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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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@ -271,10 +272,10 @@ program DAMASK_spectral
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k = 1_pInt ! assuming keyword indicating degree/radians present
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select case (IO_lc(IO_stringValue(line,chunkPos,i+1_pInt)))
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case('deg','degree')
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case('rad','radian') ! don't convert from degree to radian
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case('rad','radian') ! don't convert from degree to radian
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l = 0_pInt
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case default
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k = 0_pInt
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case default
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k = 0_pInt
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end select
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do j = 1_pInt, 3_pInt
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
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@ -289,7 +290,7 @@ program DAMASK_spectral
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loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
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end select
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enddo; enddo
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close(FILEUNIT)
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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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@ -323,7 +324,7 @@ program DAMASK_spectral
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enddo
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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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if (any(loadCases(currentLoadCase)%P%maskLogical .and. &
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if (any(loadCases(currentLoadCase)%P%maskLogical .and. &
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transpose(loadCases(currentLoadCase)%P%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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@ -358,7 +359,7 @@ program DAMASK_spectral
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endif
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on selected solver
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! doing initialization depending on selected solver
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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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@ -370,26 +371,26 @@ program DAMASK_spectral
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0 .and. worldrank == 0_pInt) &
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call IO_warning(42_pInt, ext_msg='debug Divergence')
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call AL_init
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case (DAMASK_spectral_SolverPolarisation_label)
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if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0 .and. worldrank == 0_pInt) &
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call IO_warning(42_pInt, ext_msg='debug Divergence')
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call Polarisation_init
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case default
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call IO_error(error_ID = 891, ext_msg = trim(spectral_solver))
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end select
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end select
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case(FIELD_THERMAL_ID)
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call spectral_thermal_init
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case(FIELD_DAMAGE_ID)
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call spectral_damage_init()
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end select
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enddo
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!--------------------------------------------------------------------------------------------------
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! write header of output file
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if (worldrank == 0) then
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@ -408,7 +409,7 @@ program DAMASK_spectral
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write(resUnit) 'logscales:', loadCases%logscale
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write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
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write(resUnit) 'startingIncrement:', restartInc - 1_pInt ! start with writing out the previous inc
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write(resUnit) 'eoh'
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write(resUnit) 'eoh'
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close(resUnit) ! end of header
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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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@ -458,7 +459,7 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! loopping over loadcases
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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 ! currentLoadCase 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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@ -472,9 +473,9 @@ 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) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
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else
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if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
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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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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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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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timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
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endif
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@ -492,12 +493,12 @@ program DAMASK_spectral
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stepFraction = 0_pInt
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!--------------------------------------------------------------------------------------------------
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! loop over sub incs
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! loop over sub incs
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subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
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time = time + timeinc ! forward time
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stepFraction = stepFraction + 1_pInt
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stepFraction = stepFraction + 1_pInt
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remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
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!--------------------------------------------------------------------------------------------------
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! report begin of new increment
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if (worldrank == 0) then
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@ -515,7 +516,7 @@ program DAMASK_spectral
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
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'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
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'-',stepFraction, '/', subStepFactor**cutBackLevel
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endif
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endif
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!--------------------------------------------------------------------------------------------------
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! forward fields
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@ -541,18 +542,18 @@ program DAMASK_spectral
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F_BC = loadCases(currentLoadCase)%deformation, &
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P_BC = loadCases(currentLoadCase)%P, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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end select
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end select
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case(FIELD_THERMAL_ID)
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call spectral_thermal_forward (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime)
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case(FIELD_DAMAGE_ID)
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call spectral_damage_forward (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime)
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end select
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enddo
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enddo
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!--------------------------------------------------------------------------------------------------
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! solve fields
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stagIter = 0_pInt
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@ -568,27 +569,27 @@ program DAMASK_spectral
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P_BC = loadCases(currentLoadCase)%P, &
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F_BC = loadCases(currentLoadCase)%deformation, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverAL_label)
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solres(field) = AL_solution (&
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incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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P_BC = loadCases(currentLoadCase)%P, &
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F_BC = loadCases(currentLoadCase)%deformation, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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case (DAMASK_spectral_SolverPolarisation_label)
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solres(field) = Polarisation_solution (&
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incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
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P_BC = loadCases(currentLoadCase)%P, &
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F_BC = loadCases(currentLoadCase)%deformation, &
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rotation_BC = loadCases(currentLoadCase)%rotation)
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end select
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end select
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case(FIELD_THERMAL_ID)
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solres(field) = spectral_thermal_solution (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime)
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case(FIELD_DAMAGE_ID)
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solres(field) = spectral_damage_solution (&
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guess,timeinc,timeIncOld,remainingLoadCaseTime)
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@ -600,11 +601,11 @@ program DAMASK_spectral
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stagIterate = stagIter < stagItMax .and. &
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all(solres(:)%converged) .and. &
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.not. all(solres(:)%stagConverged)
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enddo
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enddo
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!--------------------------------------------------------------------------------------------------
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! check solution
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cutBack = .False.
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! check solution
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cutBack = .False.
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if(solres(1)%termIll .or. .not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
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if (cutBackLevel < maxCutBack) then ! do cut back
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if (worldrank == 0) write(6,'(/,a)') ' cut back detected'
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@ -617,8 +618,8 @@ program DAMASK_spectral
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call IO_warning(850_pInt)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
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elseif (continueCalculation == 1_pInt) then
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guess = .true. ! accept non converged BVP solution
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else ! default behavior, exit if spectral solver does not converge
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guess = .true. ! accept non converged BVP solution
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else ! default behavior, exit if spectral solver does not converge
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call IO_warning(850_pInt)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
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endif
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@ -630,8 +631,8 @@ program DAMASK_spectral
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write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
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solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
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flush(statUnit)
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endif
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endif
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endif
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endif
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enddo subIncLooping
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cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
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if(all(solres(:)%converged)) then ! report converged inc
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@ -662,11 +663,11 @@ program DAMASK_spectral
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enddo
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fileOffset = fileOffset + sum(outputSize) ! forward to current file position
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endif
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if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
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mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write?
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if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
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mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! first call to CPFEM_general will write?
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restartWrite = .true.
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lastRestartWritten = inc
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endif
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endif
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else forwarding
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time = time + timeinc
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guess = .true.
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@ -698,7 +699,7 @@ program DAMASK_spectral
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call AL_destroy()
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case (DAMASK_spectral_SolverPolarisation_label)
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call Polarisation_destroy()
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end select
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end select
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case(FIELD_THERMAL_ID)
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call spectral_thermal_destroy()
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case(FIELD_DAMAGE_ID)
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@ -709,6 +710,11 @@ program DAMASK_spectral
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call PETScFinalize(ierr); CHKERRQ(ierr)
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#ifdef _OPENMP
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call MPI_finalize(i)
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if (i /= 0_pInt) call IO_error(error_ID=894, el=i, ext_msg="Finalize()")
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#endif
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if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
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call quit(0_pInt) ! no complains ;)
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@ -719,7 +725,7 @@ end program DAMASK_spectral
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief quit subroutine to mimic behavior of FEM solvers
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!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
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!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
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!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
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!> 2 signals no converged solution and increment of last saved restart information is written to
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!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
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!--------------------------------------------------------------------------------------------------
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@ -739,7 +745,7 @@ subroutine quit(stop_id)
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write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
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dateAndTime(6),':',&
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dateAndTime(7)
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if (stop_id == 0_pInt) stop 0 ! normal termination
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if (stop_id < 0_pInt) then ! terminally ill, restart might help
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write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
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