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!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
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!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results
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!--------------------------------------------------------------------------------------------------
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program DAMASK_spectral
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
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use , intrinsic :: iso_fortran_env , only : &
compiler_version , &
compiler_options
#endif
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use prec , only : &
pInt , &
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pLongInt , &
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pReal , &
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tol_math_check , &
dNeq
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use DAMASK_interface , only : &
DAMASK_interface_init , &
loadCaseFile , &
geometryFile , &
getSolverWorkingDirectoryName , &
getSolverJobName , &
appendToOutFile
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use IO , only : &
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IO_read , &
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IO_isBlank , &
IO_open_file , &
IO_stringPos , &
IO_stringValue , &
IO_floatValue , &
IO_intValue , &
IO_error , &
IO_lc , &
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IO_intOut , &
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IO_warning , &
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IO_timeStamp , &
IO_EOF
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use debug , only : &
debug_level , &
debug_spectral , &
debug_levelBasic
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use math ! need to include the whole module for FFTW
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use mesh , only : &
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grid , &
geomSize
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use CPFEM2 , only : &
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CPFEM_initAll
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use FEsolving , only : &
restartWrite , &
restartInc
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use numerics , only : &
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worldrank , &
worldsize , &
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stagItMax , &
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maxCutBack , &
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spectral_solver , &
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continueCalculation
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use homogenization , only : &
materialpoint_sizeResults , &
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materialpoint_results , &
materialpoint_postResults
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use material , only : &
thermal_type , &
damage_type , &
THERMAL_conduction_ID , &
DAMAGE_nonlocal_ID
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use spectral_utilities , only : &
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utilities_init , &
utilities_destroy , &
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tSolutionState , &
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tLoadCase , &
cutBack , &
nActiveFields , &
FIELD_UNDEFINED_ID , &
FIELD_MECH_ID , &
FIELD_THERMAL_ID , &
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FIELD_DAMAGE_ID
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use spectral_mech_Basic
use spectral_mech_AL
use spectral_mech_Polarisation
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use spectral_damage
use spectral_thermal
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implicit none
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#include <petsc/finclude/petscsys.h>
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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)
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
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_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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line
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!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
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real ( pReal ) , dimension ( 3 , 3 ) , parameter :: &
ones = 1.0_pReal , &
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zeros = 0.0_pReal
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integer ( pInt ) , parameter :: &
subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0
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real ( pReal ) :: &
time = 0.0_pReal , & !< elapsed time
time0 = 0.0_pReal , & !< begin of interval
timeinc = 1.0_pReal , & !< current time interval
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timeIncOld = 0.0_pReal , & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
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logical :: &
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guess , & !< guess along former trajectory
stagIterate
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integer ( pInt ) :: &
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i , j , k , l , field , &
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errorID , &
cutBackLevel = 0_pInt , & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0_pInt !< fraction of current time interval
integer ( pInt ) :: &
currentLoadcase = 0_pInt , & !< current load case
inc , & !< current increment in current load case
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totalIncsCounter = 0_pInt , & !< total # of increments
convergedCounter = 0_pInt , & !< # of converged increments
notConvergedCounter = 0_pInt , & !< # of non-converged increments
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resUnit = 0_pInt , & !< file unit for results writing
statUnit = 0_pInt , & !< file unit for statistics output
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lastRestartWritten = 0_pInt , & !< total increment # at which last restart information was written
stagIter
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character ( len = 6 ) :: loadcase_string
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character ( len = 1024 ) :: incInfo !< string parsed to solution with information about current load case
type ( tLoadCase ) , allocatable , dimension ( : ) :: loadCases !< array of all load cases
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type ( tSolutionState ) , allocatable , dimension ( : ) :: solres
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integer ( MPI_OFFSET_KIND ) :: fileOffset
integer ( MPI_OFFSET_KIND ) , dimension ( : ) , allocatable :: outputSize
integer ( pInt ) , parameter :: maxByteOut = 2147483647 - 4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
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integer ( pInt ) , parameter :: maxRealOut = maxByteOut / pReal
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integer ( pLongInt ) , dimension ( 2 ) :: outputIndex
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PetscErrorCode :: ierr
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external :: &
quit , &
MPI_file_open , &
MPI_file_close , &
MPI_file_seek , &
MPI_file_get_position , &
MPI_file_write , &
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MPI_abort , &
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MPI_finalize , &
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MPI_allreduce , &
PETScFinalize
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!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
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call CPFEM_initAll ( el = 1_pInt , ip = 1_pInt )
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write ( 6 , '(/,a)' ) ' <<<+- DAMASK_spectral init -+>>>'
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write ( 6 , '(/,a)' ) ' Roters et. al, Computational Materials Science, 2018'
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write ( 6 , '(a15,a)' ) ' Current time: ' , IO_timeStamp ( )
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#include "compilation_info.f90"
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!--------------------------------------------------------------------------------------------------
! initialize field solver information
nActiveFields = 1
if ( any ( thermal_type == THERMAL_conduction_ID ) ) nActiveFields = nActiveFields + 1
if ( any ( damage_type == DAMAGE_nonlocal_ID ) ) nActiveFields = nActiveFields + 1
allocate ( solres ( nActiveFields ) )
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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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call IO_open_file ( FILEUNIT , trim ( loadCaseFile ) )
rewind ( FILEUNIT )
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do
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line = IO_read ( FILEUNIT )
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if ( trim ( line ) == IO_EOF ) exit
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if ( IO_isBlank ( line ) ) cycle ! skip empty lines
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chunkPos = IO_stringPos ( line )
do i = 1_pInt , chunkPos ( 1 ) ! reading compulsory parameters for loadcase
select case ( IO_lc ( IO_stringValue ( line , chunkPos , i ) ) )
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case ( 'l' , 'velocitygrad' , 'velgrad' , 'velocitygradient' , 'fdot' , 'dotf' , 'f' )
N_def = N_def + 1_pInt
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case ( 't' , 'time' , 'delta' )
N_t = N_t + 1_pInt
case ( 'n' , 'incs' , 'increments' , 'steps' , 'logincs' , 'logincrements' , 'logsteps' )
N_n = N_n + 1_pInt
end select
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enddo ! count all identifiers to allocate memory and do sanity check
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enddo
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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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allocate ( loadCases ( N_n ) ) ! array of load cases
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loadCases % stress % myType = 'stress'
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do i = 1 , size ( loadCases )
allocate ( loadCases ( i ) % ID ( nActiveFields ) )
field = 1
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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endif thermalActive
damageActive : if ( any ( damage_type == DAMAGE_nonlocal_ID ) ) then
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field = field + 1
loadCases ( i ) % ID ( field ) = FIELD_DAMAGE_ID
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endif damageActive
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enddo
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!--------------------------------------------------------------------------------------------------
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! reading the load case and assign values to the allocated data structure
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rewind ( FILEUNIT )
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do
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line = IO_read ( FILEUNIT )
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if ( trim ( line ) == IO_EOF ) exit
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if ( IO_isBlank ( line ) ) cycle ! skip empty lines
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currentLoadCase = currentLoadCase + 1_pInt
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chunkPos = IO_stringPos ( line )
do i = 1_pInt , chunkPos ( 1 )
select case ( IO_lc ( IO_stringValue ( line , chunkPos , i ) ) )
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case ( 'fdot' , 'dotf' , 'l' , 'velocitygrad' , 'velgrad' , 'velocitygradient' , 'f' ) ! assign values for the deformation BC matrix
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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
IO_lc ( IO_stringValue ( line , chunkPos , i ) ) == 'dotf' ) then
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loadCases ( currentLoadCase ) % 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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else
loadCases ( currentLoadCase ) % 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 *
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
merge ( ones , zeros , loadCases ( currentLoadCase ) % deformation % maskLogical )
loadCases ( currentLoadCase ) % 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
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 ] ) )
loadCases ( currentLoadCase ) % stress % maskFloat = merge ( ones , zeros , &
loadCases ( currentLoadCase ) % stress % maskLogical )
loadCases ( currentLoadCase ) % 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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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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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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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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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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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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temp_valueVector = 0.0_pReal
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l = 1_pInt ! assuming values given in degrees
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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l = 0_pInt
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case default
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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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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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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end select
enddo ; enddo
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close ( FILEUNIT )
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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
checkLoadcases : do currentLoadCase = 1_pInt , size ( loadCases )
write ( loadcase_string , '(i6)' ) currentLoadCase
write ( 6 , '(1x,a,i6)' ) 'load case: ' , currentLoadCase
if ( . not . loadCases ( currentLoadCase ) % followFormerTrajectory ) &
write ( 6 , '(2x,a)' ) 'drop guessing along trajectory'
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if ( loadCases ( currentLoadCase ) % deformation % myType == 'l' ) then
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do j = 1_pInt , 3_pInt
if ( any ( loadCases ( currentLoadCase ) % deformation % maskLogical ( j , 1 : 3 ) . eqv . . true . ) . and . &
any ( loadCases ( currentLoadCase ) % deformation % maskLogical ( j , 1 : 3 ) . eqv . . false . ) ) &
errorID = 832_pInt ! each row should be either fully or not at all defined
enddo
write ( 6 , '(2x,a)' ) 'velocity gradient:'
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else if ( loadCases ( currentLoadCase ) % deformation % myType == 'f' ) then
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write ( 6 , '(2x,a)' ) 'deformation gradient at end of load case:'
else
write ( 6 , '(2x,a)' ) 'deformation gradient rate:'
endif
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do i = 1_pInt , 3_pInt ; do j = 1_pInt , 3_pInt
if ( loadCases ( currentLoadCase ) % deformation % maskLogical ( i , j ) ) then
write ( 6 , '(2x,f12.7)' , advance = 'no' ) loadCases ( currentLoadCase ) % deformation % values ( i , j )
else
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write ( 6 , '(2x,12a)' , advance = 'no' ) ' * '
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endif
enddo ; write ( 6 , '(/)' , advance = 'no' )
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 . &
transpose ( loadCases ( currentLoadCase ) % stress % maskLogical ) . and . &
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reshape ( [ . false . , . true . , . true . , . true . , . false . , . true . , . true . , . true . , . false . ] , [ 3 , 3 ] ) ) ) &
errorID = 838_pInt ! no rotation is allowed by stress BC
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write ( 6 , '(2x,a)' ) 'stress / GPa:'
do i = 1_pInt , 3_pInt ; do j = 1_pInt , 3_pInt
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if ( loadCases ( currentLoadCase ) % stress % maskLogical ( i , j ) ) then
write ( 6 , '(2x,f12.7)' , advance = 'no' ) loadCases ( currentLoadCase ) % 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
enddo ; write ( 6 , '(/)' , advance = 'no' )
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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reshape ( spread ( tol_math_check , 1 , 9 ) , [ 3 , 3 ] ) ) &
. or . abs ( math_det33 ( loadCases ( currentLoadCase ) % rotation ) ) > &
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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write ( 6 , '(2x,a,/,3(3(3x,f12.7,1x)/))' , advance = 'no' ) 'rotation of loadframe:' , &
math_transpose33 ( loadCases ( currentLoadCase ) % rotation )
if ( loadCases ( currentLoadCase ) % time < 0.0_pReal ) errorID = 834_pInt ! negative time increment
write ( 6 , '(2x,a,f12.6)' ) 'time: ' , loadCases ( currentLoadCase ) % time
if ( loadCases ( currentLoadCase ) % incs < 1_pInt ) errorID = 835_pInt ! non-positive incs count
write ( 6 , '(2x,a,i5)' ) 'increments: ' , loadCases ( currentLoadCase ) % incs
if ( loadCases ( currentLoadCase ) % outputfrequency < 1_pInt ) errorID = 836_pInt ! non-positive result frequency
write ( 6 , '(2x,a,i5)' ) 'output frequency: ' , &
loadCases ( currentLoadCase ) % outputfrequency
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write ( 6 , '(2x,a,i5,/)' ) 'restart frequency: ' , &
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loadCases ( currentLoadCase ) % restartfrequency
if ( errorID > 0_pInt ) call IO_error ( error_ID = errorID , ext_msg = loadcase_string ) ! exit with error message
enddo checkLoadcases
endif
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!--------------------------------------------------------------------------------------------------
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! doing initialization depending on selected solver
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call Utilities_init ( )
do field = 1 , nActiveFields
select case ( loadCases ( 1 ) % ID ( field ) )
case ( FIELD_MECH_ID )
select case ( spectral_solver )
case ( DAMASK_spectral_SolverBasicPETSc_label )
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call basicPETSc_init
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case ( DAMASK_spectral_SolverAL_label )
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if ( iand ( debug_level ( debug_spectral ) , debug_levelBasic ) / = 0 ) &
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call IO_warning ( 42_pInt , ext_msg = 'debug Divergence' )
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call AL_init
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2015-06-03 23:00:31 +05:30
case ( DAMASK_spectral_SolverPolarisation_label )
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if ( iand ( debug_level ( debug_spectral ) , debug_levelBasic ) / = 0 ) &
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call IO_warning ( 42_pInt , ext_msg = 'debug Divergence' )
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call Polarisation_init
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2015-06-03 23:00:31 +05:30
case default
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call IO_error ( error_ID = 891_pInt , ext_msg = trim ( spectral_solver ) )
end select
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case ( FIELD_THERMAL_ID )
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call spectral_thermal_init
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2015-06-03 23:00:31 +05:30
case ( FIELD_DAMAGE_ID )
call spectral_damage_init ( )
end select
enddo
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!--------------------------------------------------------------------------------------------------
! write header of output file
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if ( worldrank == 0 ) then
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if ( . not . appendToOutFile ) then ! after restart, append to existing results file
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open ( newunit = resUnit , file = trim ( getSolverWorkingDirectoryName ( ) ) / / trim ( getSolverJobName ( ) ) / / &
'.spectralOut' , form = 'UNFORMATTED' , status = 'REPLACE' )
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write ( resUnit ) 'load:' , trim ( loadCaseFile ) ! ... and write header
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write ( resUnit ) 'workingdir:' , trim ( getSolverWorkingDirectoryName ( ) )
write ( resUnit ) 'geometry:' , trim ( geometryFile )
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write ( resUnit ) 'grid:' , grid
write ( resUnit ) 'size:' , geomSize
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write ( resUnit ) 'materialpoint_sizeResults:' , materialpoint_sizeResults
write ( resUnit ) 'loadcases:' , size ( loadCases )
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write ( resUnit ) 'frequencies:' , loadCases % outputfrequency ! one entry per LoadCase
write ( resUnit ) 'times:' , loadCases % time ! one entry per LoadCase
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write ( resUnit ) 'logscales:' , loadCases % logscale
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write ( resUnit ) 'increments:' , loadCases % incs ! one entry per LoadCase
write ( resUnit ) 'startingIncrement:' , restartInc ! start with writing out the previous inc
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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 ( ) ) / / &
'.sta' , form = 'FORMATTED' , status = 'REPLACE' )
write ( statUnit , '(a)' ) 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
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if ( iand ( debug_level ( debug_spectral ) , debug_levelBasic ) / = 0 ) &
write ( 6 , '(/,a)' ) ' header of result and statistics file written out'
flush ( 6 )
else ! open new files ...
open ( newunit = statUnit , file = trim ( getSolverWorkingDirectoryName ( ) ) / / trim ( getSolverJobName ( ) ) / / &
'.sta' , form = 'FORMATTED' , position = 'APPEND' , status = 'OLD' )
2015-03-25 21:36:19 +05:30
endif
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endif
2013-02-23 05:54:30 +05:30
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!--------------------------------------------------------------------------------------------------
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! prepare MPI parallel out (including opening of file)
allocate ( outputSize ( worldsize ) , source = 0_MPI_OFFSET_KIND )
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outputSize ( worldrank + 1 ) = size ( materialpoint_results , kind = MPI_OFFSET_KIND ) * int ( pReal , MPI_OFFSET_KIND )
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call MPI_allreduce ( MPI_IN_PLACE , outputSize , worldsize , MPI_LONG , MPI_SUM , PETSC_COMM_WORLD , ierr ) ! get total output size over each process
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if ( ierr / = 0_pInt ) call IO_error ( error_ID = 894_pInt , ext_msg = 'MPI_allreduce' )
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call MPI_file_open ( PETSC_COMM_WORLD , &
trim ( getSolverWorkingDirectoryName ( ) ) / / trim ( getSolverJobName ( ) ) / / '.spectralOut' , &
MPI_MODE_WRONLY + MPI_MODE_APPEND , &
MPI_INFO_NULL , &
resUnit , &
ierr )
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if ( ierr / = 0_pInt ) call IO_error ( error_ID = 894_pInt , ext_msg = 'MPI_file_open' )
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call MPI_file_get_position ( resUnit , fileOffset , ierr ) ! get offset from header
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if ( ierr / = 0_pInt ) call IO_error ( error_ID = 894_pInt , ext_msg = 'MPI_file_get_position' )
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fileOffset = fileOffset + sum ( outputSize ( 1 : worldrank ) ) ! offset of my process in file (header + processes before me)
call MPI_file_seek ( resUnit , fileOffset , MPI_SEEK_SET , ierr )
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if ( ierr / = 0_pInt ) call IO_error ( error_ID = 894_pInt , ext_msg = 'MPI_file_seek' )
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if ( . not . appendToOutFile ) then ! if not restarting, write 0th increment
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write ( 6 , '(1/,a)' ) ' ... writing initial configuration to file ........................'
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do i = 1 , size ( materialpoint_results , 3 ) / ( maxByteOut / ( materialpoint_sizeResults * pReal ) ) + 1 ! slice the output of my process in chunks not exceeding the limit for one output
2018-02-16 20:06:18 +05:30
outputIndex = int ( [ ( i - 1_pInt ) * ( ( maxRealOut ) / materialpoint_sizeResults ) + 1_pInt , & ! QUESTION: why not starting i at 0 instead of murky 1?
2016-08-25 21:27:19 +05:30
min ( i * ( ( maxRealOut ) / materialpoint_sizeResults ) , size ( materialpoint_results , 3 ) ) ] , pLongInt )
call MPI_file_write ( resUnit , &
reshape ( materialpoint_results ( : , : , outputIndex ( 1 ) : outputIndex ( 2 ) ) , &
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[ ( outputIndex ( 2 ) - outputIndex ( 1 ) + 1 ) * int ( materialpoint_sizeResults , pLongInt ) ] ) , &
( outputIndex ( 2 ) - outputIndex ( 1 ) + 1 ) * int ( materialpoint_sizeResults , pLongInt ) , &
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MPI_DOUBLE , MPI_STATUS_IGNORE , ierr )
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if ( ierr / = 0_pInt ) call IO_error ( error_ID = 894_pInt , ext_msg = 'MPI_file_write' )
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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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! looping 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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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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incLooping : do inc = 1_pInt , loadCases ( currentLoadCase ) % incs
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totalIncsCounter = totalIncsCounter + 1_pInt
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!--------------------------------------------------------------------------------------------------
! forwarding time
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timeIncOld = timeinc ! last timeinc that brought former inc to an end
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if ( loadCases ( currentLoadCase ) % logscale == 0_pInt ) then ! linear scale
2018-02-16 20:06:18 +05:30
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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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
timeinc = loadCases ( 1 ) % time * ( 2.0_pReal ** real ( inc - 1_pInt - loadCases ( 1 ) % incs , pReal ) )
2012-07-19 22:54:56 +05:30
endif
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else ! not-1st currentLoadCase of logarithmic scale
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timeinc = time0 * &
2018-02-17 03:11:07 +05:30
( ( 1.0_pReal + loadCases ( currentLoadCase ) % time / time0 ) ** ( real ( inc , pReal ) / &
2012-12-15 21:51:10 +05:30
real ( loadCases ( currentLoadCase ) % incs , pReal ) ) &
2018-02-17 03:11:07 +05:30
- ( 1.0_pReal + loadCases ( currentLoadCase ) % time / time0 ) ** ( real ( inc - 1_pInt , pReal ) / &
2018-02-16 20:06:18 +05:30
real ( loadCases ( currentLoadCase ) % incs , pReal ) ) )
2012-07-19 22:54:56 +05:30
endif
endif
2018-02-16 20:06:18 +05:30
timeinc = timeinc * real ( subStepFactor , pReal ) ** real ( - cutBackLevel , pReal ) ! depending on cut back level, decrease time step
2012-07-19 22:54:56 +05:30
2018-02-17 03:11:07 +05:30
skipping : if ( totalIncsCounter < = restartInc ) then ! not yet at restart inc?
2018-02-16 20:06:18 +05:30
time = time + timeinc ! just advance time, skip already performed calculation
guess = . true . ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
2013-02-23 05:54:30 +05:30
2012-07-19 22:54:56 +05:30
!--------------------------------------------------------------------------------------------------
2018-02-16 20:06:18 +05:30
! loop over sub step
subStepLooping : do while ( stepFraction < subStepFactor ** cutBackLevel )
remainingLoadCaseTime = loadCases ( currentLoadCase ) % time + time0 - time
time = time + timeinc ! forward target time
stepFraction = stepFraction + 1_pInt ! count step
2016-08-22 19:57:49 +05:30
2013-12-18 15:05:05 +05:30
!--------------------------------------------------------------------------------------------------
2018-02-16 20:06:18 +05:30
! report begin of new step
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write ( 6 , '(/,a)' ) ' ###########################################################################'
write ( 6 , '(1x,a,es12.5' / / &
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',a,' / / IO_intOut ( inc ) / / ',a,' / / IO_intOut ( loadCases ( currentLoadCase ) % incs ) / / &
',a,' / / IO_intOut ( stepFraction ) / / ',a,' / / IO_intOut ( subStepFactor ** cutBackLevel ) / / &
2017-05-24 21:42:36 +05:30
',a,' / / IO_intOut ( currentLoadCase ) / / ',a,' / / IO_intOut ( size ( loadCases ) ) / / ')' ) &
'Time' , time , &
2018-02-17 03:11:07 +05:30
's: Increment ' , inc , '/' , loadCases ( currentLoadCase ) % incs , &
'-' , stepFraction , '/' , subStepFactor ** cutBackLevel , &
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' of load case ' , currentLoadCase , '/' , size ( loadCases )
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write ( incInfo , &
'(a,' / / IO_intOut ( totalIncsCounter ) / / &
',a,' / / IO_intOut ( sum ( loadCases % incs ) ) / / &
',a,' / / IO_intOut ( stepFraction ) / / &
',a,' / / IO_intOut ( subStepFactor ** cutBackLevel ) / / ')' ) &
'Increment ' , totalIncsCounter , '/' , sum ( loadCases % incs ) , &
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'-' , stepFraction , '/' , subStepFactor ** cutBackLevel
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flush ( 6 )
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!--------------------------------------------------------------------------------------------------
! forward fields
do field = 1 , nActiveFields
select case ( loadCases ( currentLoadCase ) % ID ( field ) )
case ( FIELD_MECH_ID )
select case ( spectral_solver )
case ( DAMASK_spectral_SolverBasicPETSc_label )
call BasicPETSc_forward ( &
guess , timeinc , timeIncOld , remainingLoadCaseTime , &
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deformation_BC = loadCases ( currentLoadCase ) % deformation , &
stress_BC = loadCases ( currentLoadCase ) % stress , &
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rotation_BC = loadCases ( currentLoadCase ) % rotation )
case ( DAMASK_spectral_SolverAL_label )
call AL_forward ( &
guess , timeinc , timeIncOld , remainingLoadCaseTime , &
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deformation_BC = loadCases ( currentLoadCase ) % deformation , &
stress_BC = loadCases ( currentLoadCase ) % stress , &
2015-06-03 23:00:31 +05:30
rotation_BC = loadCases ( currentLoadCase ) % rotation )
case ( DAMASK_spectral_SolverPolarisation_label )
call Polarisation_forward ( &
guess , timeinc , timeIncOld , remainingLoadCaseTime , &
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deformation_BC = loadCases ( currentLoadCase ) % deformation , &
stress_BC = loadCases ( currentLoadCase ) % stress , &
2015-06-03 23:00:31 +05:30
rotation_BC = loadCases ( currentLoadCase ) % rotation )
2016-08-22 19:57:49 +05:30
end select
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case ( FIELD_THERMAL_ID ) ; call spectral_thermal_forward ( )
2018-02-16 20:06:18 +05:30
case ( FIELD_DAMAGE_ID ) ; call spectral_damage_forward ( )
2015-06-03 23:00:31 +05:30
end select
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enddo
2012-12-15 21:51:10 +05:30
!--------------------------------------------------------------------------------------------------
2015-06-03 23:00:31 +05:30
! solve fields
stagIter = 0_pInt
stagIterate = . true .
do while ( stagIterate )
do field = 1 , nActiveFields
select case ( loadCases ( currentLoadCase ) % ID ( field ) )
case ( FIELD_MECH_ID )
select case ( spectral_solver )
case ( DAMASK_spectral_SolverBasicPETSc_label )
solres ( field ) = BasicPETSC_solution ( &
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incInfo , timeinc , timeIncOld , &
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stress_BC = loadCases ( currentLoadCase ) % stress , &
2015-06-03 23:00:31 +05:30
rotation_BC = loadCases ( currentLoadCase ) % rotation )
2016-08-22 19:57:49 +05:30
2015-06-03 23:00:31 +05:30
case ( DAMASK_spectral_SolverAL_label )
solres ( field ) = AL_solution ( &
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incInfo , timeinc , timeIncOld , &
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stress_BC = loadCases ( currentLoadCase ) % stress , &
2015-06-03 23:00:31 +05:30
rotation_BC = loadCases ( currentLoadCase ) % rotation )
2016-08-22 19:57:49 +05:30
2015-06-03 23:00:31 +05:30
case ( DAMASK_spectral_SolverPolarisation_label )
solres ( field ) = Polarisation_solution ( &
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incInfo , timeinc , timeIncOld , &
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stress_BC = loadCases ( currentLoadCase ) % stress , &
2015-06-03 23:00:31 +05:30
rotation_BC = loadCases ( currentLoadCase ) % rotation )
2016-08-22 19:57:49 +05:30
end select
2015-06-03 23:00:31 +05:30
case ( FIELD_THERMAL_ID )
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solres ( field ) = spectral_thermal_solution ( timeinc , timeIncOld , remainingLoadCaseTime )
2016-08-22 19:57:49 +05:30
2015-06-03 23:00:31 +05:30
case ( FIELD_DAMAGE_ID )
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solres ( field ) = spectral_damage_solution ( timeinc , timeIncOld , remainingLoadCaseTime )
2015-06-03 23:00:31 +05:30
end select
2018-02-16 20:06:18 +05:30
2016-08-25 21:27:19 +05:30
if ( . not . solres ( field ) % converged ) exit ! no solution found
2018-02-16 20:06:18 +05:30
2015-06-03 23:00:31 +05:30
enddo
stagIter = stagIter + 1_pInt
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stagIterate = stagIter < stagItMax &
. and . all ( solres ( : ) % converged ) &
. and . . not . all ( solres ( : ) % stagConverged ) ! stationary with respect to staggered iteration
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enddo
2013-02-23 05:54:30 +05:30
2012-12-15 21:51:10 +05:30
!--------------------------------------------------------------------------------------------------
2018-02-16 20:06:18 +05:30
! check solution for either advance or retry
if ( ( continueCalculation . or . all ( solres ( : ) % converged . and . solres ( : ) % stagConverged ) ) & ! don't care or did converge
. and . . not . solres ( 1 ) % termIll ) then ! and acceptable solution found
timeIncOld = timeinc
cutBack = . false .
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guess = . true . ! start guessing after first converged (sub)inc
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if ( worldrank == 0 ) then
write ( statUnit , * ) totalIncsCounter , time , cutBackLevel , &
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solres % converged , solres % iterationsNeeded
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flush ( statUnit )
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endif
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elseif ( cutBackLevel < maxCutBack ) then ! further cutbacking tolerated?
cutBack = . true .
stepFraction = ( stepFraction - 1_pInt ) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt
time = time - timeinc ! rewind time
timeinc = timeinc / real ( subStepFactor , pReal ) ! cut timestep
write ( 6 , '(/,a)' ) ' cutting back '
else ! no more options to continue
call IO_warning ( 850_pInt )
call MPI_file_close ( resUnit , ierr )
close ( statUnit )
call quit ( - 1_pInt * ( lastRestartWritten + 1_pInt ) ) ! quit and provide information about last restart inc written
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endif
2018-02-16 20:06:18 +05:30
enddo subStepLooping
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cutBackLevel = max ( 0_pInt , cutBackLevel - 1_pInt ) ! try half number of subincs next inc
2018-02-16 20:06:18 +05:30
if ( all ( solres ( : ) % converged ) ) then
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convergedCounter = convergedCounter + 1_pInt
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write ( 6 , '(/,a,' / / IO_intOut ( totalIncsCounter ) / / ',a)' ) & ! report converged inc
2017-05-24 21:42:36 +05:30
' increment ' , totalIncsCounter , ' converged'
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else
notConvergedCounter = notConvergedCounter + 1_pInt
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write ( 6 , '(/,a,' / / IO_intOut ( totalIncsCounter ) / / ',a)' ) & ! report non-converged inc
' increment ' , totalIncsCounter , ' NOT converged'
2013-02-23 05:54:30 +05:30
endif ; flush ( 6 )
2018-02-16 20:06:18 +05:30
2012-10-02 20:56:56 +05:30
if ( mod ( inc , loadCases ( currentLoadCase ) % outputFrequency ) == 0_pInt ) then ! at output frequency
2018-02-16 20:06:18 +05:30
write ( 6 , '(1/,a)' ) ' ... writing results to file ......................................'
flush ( 6 )
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call materialpoint_postResults ( )
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call MPI_file_seek ( resUnit , fileOffset , MPI_SEEK_SET , ierr )
2018-02-16 20:06:18 +05:30
if ( ierr / = 0_pInt ) call IO_error ( 894_pInt , ext_msg = 'MPI_file_seek' )
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do i = 1 , size ( materialpoint_results , 3 ) / ( maxByteOut / ( materialpoint_sizeResults * pReal ) ) + 1 ! slice the output of my process in chunks not exceeding the limit for one output
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outputIndex = int ( [ ( i - 1_pInt ) * ( ( maxRealOut ) / materialpoint_sizeResults ) + 1_pInt , &
min ( i * ( ( maxRealOut ) / materialpoint_sizeResults ) , size ( materialpoint_results , 3 ) ) ] , pLongInt )
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call MPI_file_write ( resUnit , reshape ( materialpoint_results ( : , : , outputIndex ( 1 ) : outputIndex ( 2 ) ) , &
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[ ( outputIndex ( 2 ) - outputIndex ( 1 ) + 1 ) * int ( materialpoint_sizeResults , pLongInt ) ] ) , &
( outputIndex ( 2 ) - outputIndex ( 1 ) + 1 ) * int ( materialpoint_sizeResults , pLongInt ) , &
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MPI_DOUBLE , MPI_STATUS_IGNORE , ierr )
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if ( ierr / = 0_pInt ) call IO_error ( 894_pInt , ext_msg = 'MPI_file_write' )
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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 & ! writing of restart info requested ...
. and . mod ( inc , loadCases ( currentLoadCase ) % restartFrequency ) == 0_pInt ) then ! ... and at frequency of writing restart information
restartWrite = . true . ! set restart parameter for FEsolving
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
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endif
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endif skipping
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enddo incLooping
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enddo loadCaseLooping
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!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
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write ( 6 , '(/,a)' ) ' ###########################################################################'
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write ( 6 , '(1x,' / / IO_intOut ( convergedCounter ) / / ',a,' / / IO_intOut ( notConvergedCounter + convergedCounter ) / / ',a,f5.1,a)' ) &
convergedCounter , ' out of ' , &
notConvergedCounter + convergedCounter , ' (' , &
real ( convergedCounter , pReal ) / &
real ( notConvergedCounter + convergedCounter , pReal ) * 10 0.0_pReal , &
' %) increments converged!'
flush ( 6 )
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call MPI_file_close ( resUnit , ierr )
close ( statUnit )
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if ( notConvergedCounter > 0_pInt ) call quit ( 3_pInt ) ! error if some are not converged
call quit ( 0_pInt ) ! no complains ;)
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end program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief quit subroutine to mimic behavior of FEM solvers
!> @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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!> 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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subroutine quit ( stop_id )
use prec , only : &
pInt
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use spectral_mech_Basic , only : &
BasicPETSC_destroy
use spectral_mech_AL , only : &
AL_destroy
use spectral_mech_Polarisation , only : &
Polarisation_destroy
use spectral_damage , only : &
spectral_damage_destroy
use spectral_thermal , only : &
spectral_thermal_destroy
use spectral_utilities , only : &
utilities_destroy
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implicit none
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#include <petsc/finclude/petscsys.h>
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integer ( pInt ) , intent ( in ) :: stop_id
integer , dimension ( 8 ) :: dateAndTime ! type default integer
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integer ( pInt ) :: error = 0_pInt
PetscErrorCode :: ierr = 0
logical :: ErrorInQuit
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external :: &
PETScFinalize , &
MPI_finalize
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call BasicPETSC_destroy ( )
call AL_destroy ( )
call Polarisation_destroy ( )
call spectral_damage_destroy ( )
call spectral_thermal_destroy ( )
call utilities_destroy ( )
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call PETScFinalize ( ierr )
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if ( ierr / = 0 ) write ( 6 , '(a)' ) ' Error in PETScFinalize'
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#ifdef _OPENMP
call MPI_finalize ( error )
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if ( error / = 0 ) write ( 6 , '(a)' ) ' Error in MPI_finalize'
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#endif
ErrorInQuit = ( ierr / = 0 . or . error / = 0_pInt )
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call date_and_time ( values = dateAndTime )
write ( 6 , '(/,a)' ) 'DAMASK terminated on:'
write ( 6 , '(a,2(i2.2,a),i4.4)' ) 'Date: ' , dateAndTime ( 3 ) , '/' , &
dateAndTime ( 2 ) , '/' , &
dateAndTime ( 1 )
write ( 6 , '(a,2(i2.2,a),i2.2)' ) 'Time: ' , dateAndTime ( 5 ) , ':' , &
dateAndTime ( 6 ) , ':' , &
dateAndTime ( 7 )
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if ( stop_id == 0_pInt . and . . not . ErrorInQuit ) stop 0 ! normal termination
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if ( stop_id < 0_pInt . and . . not . ErrorInQuit ) 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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stop 2
endif
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if ( stop_id == 3_pInt . and . . not . ErrorInQuit ) stop 3 ! not all incs converged
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stop 1 ! error (message from IO_error)
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end subroutine quit