compiles now, but most likely does not work
This commit is contained in:
Martin Diehl
parent
0d8f17cbe6
commit
f7c20d74af
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@ -175,20 +175,24 @@ if (PROJECT_NAME STREQUAL "DAMASK_spectral")
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"spectral_mech_Basic.f90")
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add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)
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list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_SOLVER>)
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if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES})
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else()
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add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90")
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endif()
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add_dependencies(DAMASK_spectral SPECTRAL_SOLVER)
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elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
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add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90")
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add_dependencies(FEM_UTILITIES DAMASK_CPFE)
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list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEM_UTILITIES>)
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add_library(FEM_SOLVER OBJECT
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"FEM_mech.f90")
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add_dependencies(FEM_SOLVER FEM_UTILITIES)
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list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEM_SOLVER>)
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add_executable(DAMASK_FEM "DAMASK_FEM.f90")
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add_executable(DAMASK_FEM "DAMASK_FEM.f90" ${OBJECTFILES})
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add_dependencies(DAMASK_FEM FEM_SOLVER)
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endif()
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@ -2,30 +2,20 @@
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Driver controlling inner and outer load case looping of the various FEM solvers
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!> @brief Driver controlling inner and outer load case looping of the FEM solver
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!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
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!> results
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!--------------------------------------------------------------------------------------------------
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program DAMASK_FEM
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
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use, intrinsic :: iso_fortran_env, only: &
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compiler_version, &
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compiler_options
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#endif
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#include <petsc/finclude/petscsys.h>
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use PETScsys
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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 prec, only: &
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pInt, &
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pLongInt, &
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pReal, &
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tol_math_check, &
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dNeq
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use system_routines, only: &
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getCWD
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tol_math_check
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use DAMASK_interface, only: &
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DAMASK_interface_init, &
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loadCaseFile, &
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geometryFile, &
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getSolverJobName, &
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appendToOutFile
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use IO, only: &
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@ -47,110 +37,120 @@ program DAMASK_FEM
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debug_spectral, &
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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, &
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geomSize
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use CPFEM2, only: &
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CPFEM_initAll
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use FEsolving, only: &
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restartWrite, &
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restartInc
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use numerics, only: &
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worldrank, &
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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: &
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materialpoint_sizeResults, &
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materialpoint_results, &
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materialpoint_postResults
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use material, only: &
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thermal_type, &
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damage_type, &
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THERMAL_conduction_ID, &
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DAMAGE_nonlocal_ID
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use FEM_utilities
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stagItMax, &
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worldrank
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use mesh, only: &
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mesh_Nboundaries, &
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mesh_boundaries, &
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geomMesh
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use FEM_Utilities, only: &
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utilities_init, &
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tSolutionState, &
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tLoadCase, &
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cutBack, &
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maxFields, &
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nActiveFields, &
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FIELD_MECH_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID, &
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FIELD_SOLUTE_ID, &
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FIELD_MGTWIN_ID, &
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COMPONENT_MECH_X_ID, &
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COMPONENT_MECH_Y_ID, &
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COMPONENT_MECH_Z_ID, &
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COMPONENT_THERMAL_T_ID, &
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COMPONENT_DAMAGE_PHI_ID, &
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COMPONENT_SOLUTE_CV_ID, &
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COMPONENT_SOLUTE_CVPOT_ID, &
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COMPONENT_SOLUTE_CH_ID, &
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COMPONENT_SOLUTE_CHPOT_ID, &
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COMPONENT_SOLUTE_CVaH_ID, &
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COMPONENT_SOLUTE_CVaHPOT_ID, &
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COMPONENT_MGTWIN_PHI_ID, &
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FIELD_MECH_label, &
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FIELD_THERMAL_label, &
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FIELD_DAMAGE_label, &
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FIELD_SOLUTE_label, &
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FIELD_MGTWIN_label
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use FEM_mech
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implicit none
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#include <petsc/finclude/petsc.h>
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!--------------------------------------------------------------------------------------------------
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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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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), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature
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integer(pInt), allocatable, dimension(:) :: chunkPos ! this is longer than needed for geometry parsing
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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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!--------------------------------------------------------------------------------------------------
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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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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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time = 0.0_pReal, & !< elapsed time
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time0 = 0.0_pReal, & !< begin of interval
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timeinc = 1.0_pReal, & !< current time interval
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timeinc = 0.0_pReal, & !< current time interval
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timeIncOld = 0.0_pReal, & !< previous time interval
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remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
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logical :: &
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guess, & !< guess along former trajectory
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stagIterate
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guess !< guess along former trajectory
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integer(pInt) :: &
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i, j, k, l, field, &
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i, &
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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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currentFace = 0_pInt, &
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inc, & !< current increment in current load case
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totalIncsCounter = 0_pInt, & !< total # of increments
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convergedCounter = 0_pInt, & !< # of converged increments
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notConvergedCounter = 0_pInt, & !< # of non-converged increments
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resUnit = 0_pInt, & !< file unit for results writing
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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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statUnit = 0_pInt, & !< file unit for statistics output
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lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written
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stagIter
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lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
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integer(pInt) :: &
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stagIter, &
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component
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logical :: &
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stagIterate
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character(len=6) :: loadcase_string
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character(len=1024) :: &
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incInfo, & !< string parsed to solution with information about current load case
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workingDir
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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 !< array of all load cases
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type(tSolutionState), allocatable, dimension(:) :: solres
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integer(MPI_OFFSET_KIND) :: fileOffset
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integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
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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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integer :: ierr
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PetscInt :: faceSet, currentFaceSet
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PetscInt :: field, dimPlex
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PetscErrorCode :: ierr
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external :: &
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MPI_abort, &
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DMGetDimension, &
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DMGetLabelSize, &
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DMGetLabelIdIS, &
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ISDestroy, &
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quit
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!--------------------------------------------------------------------------------------------------
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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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write(6,'(/,a)') ' <<<+- DAMASK_FEM 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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! reading basic information from load case file and allocate data structure containing load cases
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call DMGetDimension(geomMesh,dimPlex,ierr)! CHKERRQ(ierr) !< dimension of mesh (2D or 3D)
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nActiveFields = 1
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if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
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if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
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allocate(solres(nActiveFields))
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!--------------------------------------------------------------------------------------------------
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@ -162,35 +162,34 @@ program DAMASK_FEM
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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)
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do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase
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do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase
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select case (IO_lc(IO_stringValue(line,chunkPos,i)))
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case('l','velocitygrad','velgrad','velocitygradient','fdot','dotf','f')
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case('$loadcase')
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N_def = N_def + 1_pInt
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case('t','time','delta')
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N_t = N_t + 1_pInt
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case('n','incs','increments','steps','logincs','logincrements','logsteps')
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N_n = N_n + 1_pInt
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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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allocate (loadCases(N_def))
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do i = 1, size(loadCases)
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allocate(loadCases(i)%ID(nActiveFields))
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do i = 1, size(loadCases)
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allocate(loadCases(i)%fieldBC(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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endif thermalActive
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damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
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field = field + 1
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loadCases(i)%ID(field) = FIELD_DAMAGE_ID
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endif damageActive
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loadCases(i)%fieldBC(field)%ID = FIELD_MECH_ID
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enddo
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do i = 1, size(loadCases)
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do field = 1, nActiveFields
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select case (loadCases(i)%fieldBC(field)%ID)
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case(FIELD_MECH_ID)
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loadCases(i)%fieldBC(field)%nComponents = dimPlex !< X, Y (, Z) displacements
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allocate(loadCases(i)%fieldBC(field)%componentBC(loadCases(i)%fieldBC(field)%nComponents))
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end select
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do component = 1, loadCases(i)%fieldBC(field)%nComponents
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allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pReal)
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allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Mask (mesh_Nboundaries), source = .false.)
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enddo
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enddo
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enddo
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!--------------------------------------------------------------------------------------------------
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@ -200,39 +199,20 @@ program DAMASK_FEM
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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)
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do i = 1_pInt, chunkPos(1)
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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
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IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
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loadCases(currentLoadCase)%deformation%myType = 'fdot'
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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
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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 *
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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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!--------------------------------------------------------------------------------------------------
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! loadcase information
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case('$loadcase')
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currentLoadCase = IO_intValue(line,chunkPos,i+1_pInt)
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case('face')
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currentFace = IO_intValue(line,chunkPos,i+1_pInt)
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currentFaceSet = -1_pInt
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do faceSet = 1, mesh_Nboundaries
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if (mesh_boundaries(faceSet) == currentFace) currentFaceSet = faceSet
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enddo
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loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
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transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
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merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical)
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loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
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case('p','pk1','piolakirchhoff','stress', 's')
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temp_valueVector = 0.0_pReal
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do j = 1_pInt, 9_pInt
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temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
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if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
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enddo
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loadCases(currentLoadCase)%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
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loadCases(currentLoadCase)%stress%maskFloat = merge(ones,zeros,&
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loadCases(currentLoadCase)%stress%maskLogical)
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loadCases(currentLoadCase)%stress%values = math_plain9to33(temp_valueVector)
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if (currentFaceSet < 0_pInt) call IO_error(error_ID = errorID, ext_msg = 'invalid BC')
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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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@ -247,28 +227,166 @@ program DAMASK_FEM
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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
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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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l = 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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!--------------------------------------------------------------------------------------------------
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! boundary condition information
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case('x') ! X displacement field
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do field = 1, nActiveFields
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if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
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do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
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if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_X_ID) then
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loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
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.true.
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loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
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IO_floatValue(line,chunkPos,i+1_pInt)
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endif
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enddo
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endif
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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
|
||||
temp_valueVector = 0.0_pReal
|
||||
do j = 1_pInt, 9_pInt
|
||||
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
|
||||
case('y') ! Y displacement field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_Y_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
|
||||
case('z') ! Z displacement field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MECH_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MECH_Z_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('temp','temperature') ! thermal field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_THERMAL_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_THERMAL_T_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('mgtwin') ! mgtwin field
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_MGTWIN_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_MGTWIN_PHI_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('damage')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_DAMAGE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_DAMAGE_PHI_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cv')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CV_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('ch')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CH_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('chpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CHPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvah')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaH_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
case('cvahpot')
|
||||
do field = 1, nActiveFields
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%ID == FIELD_SOLUTE_ID) then
|
||||
do component = 1, loadcases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%ID == COMPONENT_SOLUTE_CVaHPOT_ID) then
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask (currentFaceSet) = &
|
||||
.true.
|
||||
loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Value(currentFaceSet) = &
|
||||
IO_floatValue(line,chunkPos,i+1_pInt)
|
||||
endif
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
|
||||
end select
|
||||
enddo; enddo
|
||||
close(FILEUNIT)
|
||||
|
|
@ -283,59 +401,43 @@ program DAMASK_FEM
|
|||
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
|
||||
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
|
||||
write(6,'(2x,a)') 'drop guessing along trajectory'
|
||||
if (loadCases(currentLoadCase)%deformation%myType == 'l') then
|
||||
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:'
|
||||
else if (loadCases(currentLoadCase)%deformation%myType == 'f') then
|
||||
write(6,'(2x,a)') 'deformation gradient at end of load case:'
|
||||
else
|
||||
write(6,'(2x,a)') 'deformation gradient rate:'
|
||||
endif
|
||||
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
|
||||
write(6,'(2x,12a)',advance='no') ' * '
|
||||
endif
|
||||
enddo; write(6,'(/)',advance='no')
|
||||
do field = 1_pInt, nActiveFields
|
||||
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
|
||||
case(FIELD_MECH_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_MECH_label)
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_THERMAL_label)
|
||||
|
||||
case(FIELD_DAMAGE_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_DAMAGE_label)
|
||||
|
||||
case(FIELD_MGTWIN_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_MGTWIN_label)
|
||||
|
||||
case(FIELD_SOLUTE_ID)
|
||||
write(6,'(2x,a)') 'Field '//trim(FIELD_SOLUTE_label)
|
||||
|
||||
end select
|
||||
do faceSet = 1_pInt, mesh_Nboundaries
|
||||
do component = 1_pInt, loadCases(currentLoadCase)%fieldBC(field)%nComponents
|
||||
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask(faceSet)) &
|
||||
write(6,'(4x,a,i2,a,i2,a,f12.7)') 'Face ', mesh_boundaries(faceSet), &
|
||||
' Component ', component, &
|
||||
' Value ', loadCases(currentLoadCase)%fieldBC(field)% &
|
||||
componentBC(component)%Value(faceSet)
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
if (any(loadCases(currentLoadCase)%stress%maskLogical .eqv. &
|
||||
loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
|
||||
if (any(loadCases(currentLoadCase)%stress%maskLogical .and. &
|
||||
transpose(loadCases(currentLoadCase)%stress%maskLogical) .and. &
|
||||
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
|
||||
errorID = 838_pInt ! no rotation is allowed by stress BC
|
||||
write(6,'(2x,a)') 'stress / GPa:'
|
||||
do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
|
||||
if(loadCases(currentLoadCase)%stress%maskLogical(i,j)) then
|
||||
write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%stress%values(i,j)*1e-9_pReal
|
||||
else
|
||||
write(6,'(2x,12a)',advance='no') ' * '
|
||||
endif
|
||||
enddo; write(6,'(/)',advance='no')
|
||||
enddo
|
||||
if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
|
||||
math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) > &
|
||||
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
|
||||
if (any(dNeq(loadCases(currentLoadCase)%rotation, math_I3))) &
|
||||
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
|
||||
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
|
||||
if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
|
||||
write(6,'(2x,a,i5)') 'output frequency: ', &
|
||||
loadCases(currentLoadCase)%outputfrequency
|
||||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
loadCases(currentLoadCase)%restartfrequency
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
enddo checkLoadcases
|
||||
endif
|
||||
|
||||
|
|
@ -343,80 +445,32 @@ program DAMASK_FEM
|
|||
! doing initialization depending on selected solver
|
||||
call Utilities_init()
|
||||
do field = 1, nActiveFields
|
||||
select case (loadCases(1)%ID(field))
|
||||
select case (loadCases(1)%fieldBC(field)%ID)
|
||||
case(FIELD_MECH_ID)
|
||||
select case (spectral_solver)
|
||||
case (DAMASK_spectral_SolverBasic_label)
|
||||
call basic_init
|
||||
|
||||
case (DAMASK_spectral_SolverPolarisation_label)
|
||||
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
|
||||
call IO_warning(42_pInt, ext_msg='debug Divergence')
|
||||
call Polarisation_init
|
||||
|
||||
case default
|
||||
call IO_error(error_ID = 891_pInt, ext_msg = trim(spectral_solver))
|
||||
|
||||
end select
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
call spectral_thermal_init
|
||||
|
||||
case(FIELD_DAMAGE_ID)
|
||||
call spectral_damage_init()
|
||||
|
||||
call FEM_mech_init(loadCases(1)%fieldBC(field))
|
||||
end select
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write header of output file
|
||||
if (worldrank == 0) then
|
||||
if (.not. appendToOutFile) then ! after restart, append to existing results file
|
||||
if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir))
|
||||
open(newunit=resUnit,file=trim(getSolverJobName())//&
|
||||
'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header
|
||||
write(resUnit) 'workingdir:', trim(workingDir)
|
||||
write(resUnit) 'geometry:', trim(geometryFile)
|
||||
write(resUnit) 'grid:', grid
|
||||
write(resUnit) 'size:', geomSize
|
||||
write(resUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
|
||||
write(resUnit) 'loadcases:', size(loadCases)
|
||||
write(resUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
|
||||
write(resUnit) 'times:', loadCases%time ! one entry per LoadCase
|
||||
write(resUnit) 'logscales:', loadCases%logscale
|
||||
write(resUnit) 'increments:', loadCases%incs ! one entry per LoadCase
|
||||
write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
|
||||
write(resUnit) 'eoh'
|
||||
close(resUnit) ! end of header
|
||||
open(newunit=statUnit,file=trim(getSolverJobName())//&
|
||||
'.sta',form='FORMATTED',status='REPLACE')
|
||||
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
|
||||
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(getSolverJobName())//&
|
||||
'.sta',form='FORMATTED', position='APPEND', status='OLD')
|
||||
endif
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! looping over loadcases
|
||||
! loopping over loadcases
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! currentLoadCase start time
|
||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||
if (loadCases(currentLoadCase)%followFormerTrajectory) then
|
||||
guess = .true.
|
||||
else
|
||||
guess = .false. ! change of load case, homogeneous guess for the first inc
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop over incs defined in input file for current currentLoadCase
|
||||
! loop oper incs defined in input file for current currentLoadCase
|
||||
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||
timeIncOld = timeinc
|
||||
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
|
||||
timeinc = loadCases(currentLoadCase)%time/loadCases(currentLoadCase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
else
|
||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||
|
|
@ -426,71 +480,52 @@ program DAMASK_FEM
|
|||
endif
|
||||
else ! not-1st currentLoadCase of logarithmic scale
|
||||
timeinc = time0 * &
|
||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
|
||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1_pInt ,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
endif
|
||||
endif
|
||||
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
|
||||
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
|
||||
time = time + timeinc ! just advance time, skip already performed calculation
|
||||
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
||||
else skipping
|
||||
stepFraction = 0_pInt ! fraction scaled by stepFactor**cutLevel
|
||||
forwarding: if(totalIncsCounter >= restartInc) then
|
||||
stepFraction = 0_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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
|
||||
! loop over sub incs
|
||||
subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
|
||||
time = time + timeinc ! forward time
|
||||
stepFraction = stepFraction + 1_pInt
|
||||
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new step
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,a,es12.5'//&
|
||||
',a,'//IO_intOut(inc) //',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
',a,'//IO_intOut(stepFraction) //',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
||||
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
||||
'Time', time, &
|
||||
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
write(incInfo,&
|
||||
'(a,'//IO_intOut(totalIncsCounter)//&
|
||||
',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//&
|
||||
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
! report begin of new increment
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
write(6,'(1x,a,es12.5'//&
|
||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
|
||||
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
|
||||
'Time', time, &
|
||||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
flush(6)
|
||||
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),&
|
||||
'-', stepFraction,'/',subStepFactor**cutBackLevel
|
||||
flush(6)
|
||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forward fields
|
||||
do field = 1, nActiveFields
|
||||
select case(loadCases(currentLoadCase)%ID(field))
|
||||
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
|
||||
case(FIELD_MECH_ID)
|
||||
select case (spectral_solver)
|
||||
case (DAMASK_spectral_SolverBasic_label)
|
||||
call Basic_forward (&
|
||||
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
|
||||
deformation_BC = loadCases(currentLoadCase)%deformation, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
call FEM_mech_forward (&
|
||||
guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
|
||||
|
||||
case (DAMASK_spectral_SolverPolarisation_label)
|
||||
call Polarisation_forward (&
|
||||
guess,timeinc,timeIncOld,remainingLoadCaseTime, &
|
||||
deformation_BC = loadCases(currentLoadCase)%deformation, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
end select
|
||||
|
||||
case(FIELD_THERMAL_ID); call spectral_thermal_forward()
|
||||
case(FIELD_DAMAGE_ID); call spectral_damage_forward()
|
||||
end select
|
||||
end select
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -499,112 +534,86 @@ program DAMASK_FEM
|
|||
stagIterate = .true.
|
||||
do while (stagIterate)
|
||||
do field = 1, nActiveFields
|
||||
select case(loadCases(currentLoadCase)%ID(field))
|
||||
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
|
||||
case(FIELD_MECH_ID)
|
||||
select case (spectral_solver)
|
||||
case (DAMASK_spectral_SolverBasic_label)
|
||||
solres(field) = Basic_solution (&
|
||||
incInfo,timeinc,timeIncOld, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
|
||||
case (DAMASK_spectral_SolverPolarisation_label)
|
||||
solres(field) = Polarisation_solution (&
|
||||
incInfo,timeinc,timeIncOld, &
|
||||
stress_BC = loadCases(currentLoadCase)%stress, &
|
||||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
|
||||
end select
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
solres(field) = spectral_thermal_solution(timeinc,timeIncOld,remainingLoadCaseTime)
|
||||
|
||||
case(FIELD_DAMAGE_ID)
|
||||
solres(field) = spectral_damage_solution(timeinc,timeIncOld,remainingLoadCaseTime)
|
||||
solres(field) = FEM_mech_solution (&
|
||||
incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
|
||||
|
||||
end select
|
||||
|
||||
if (.not. solres(field)%converged) exit ! no solution found
|
||||
|
||||
if(.not. solres(field)%converged) exit ! no solution found
|
||||
enddo
|
||||
stagIter = stagIter + 1_pInt
|
||||
stagIterate = stagIter < stagItMax &
|
||||
.and. all(solres(:)%converged) &
|
||||
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||
stagIterate = stagIter < stagItMax .and. &
|
||||
all(solres(:)%converged) .and. &
|
||||
.not. all(solres(:)%stagConverged)
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! 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.
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
if (worldrank == 0) then
|
||||
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||
solres%converged, solres%iterationsNeeded
|
||||
flush(statUnit)
|
||||
! check solution
|
||||
cutBack = .False.
|
||||
if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
|
||||
if (cutBackLevel < maxCutBack) then ! do cut back
|
||||
if (worldrank == 0) &
|
||||
write(6,'(/,a)') ' cut back detected'
|
||||
cutBack = .True.
|
||||
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
|
||||
cutBackLevel = cutBackLevel + 1_pInt
|
||||
time = time - timeinc ! rewind time
|
||||
timeinc = timeinc/2.0_pReal
|
||||
else ! default behavior, exit if spectral solver does not converge
|
||||
call IO_warning(850_pInt)
|
||||
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written (e.g. for regridding) ! continue from non-converged solution and start guessing after accepted (sub)inc
|
||||
endif
|
||||
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
|
||||
else
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
timeIncOld = timeinc
|
||||
endif
|
||||
|
||||
enddo subStepLooping
|
||||
|
||||
if (.not. cutBack) then
|
||||
if (worldrank == 0) write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
|
||||
endif
|
||||
enddo subIncLooping
|
||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||
|
||||
if (all(solres(:)%converged)) then
|
||||
if(all(solres(:)%converged)) then ! report converged inc
|
||||
convergedCounter = convergedCounter + 1_pInt
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
|
||||
' increment ', totalIncsCounter, ' converged'
|
||||
endif
|
||||
else
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
' increment ', totalIncsCounter, ' NOT converged'
|
||||
endif
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
endif; flush(6)
|
||||
|
||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
if (worldrank == 0) then
|
||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||
flush(6)
|
||||
call materialpoint_postResults()
|
||||
endif
|
||||
endif
|
||||
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?
|
||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ToDo first call to CPFEM_general will write?
|
||||
restartWrite = .true.
|
||||
lastRestartWritten = inc
|
||||
endif
|
||||
|
||||
endif skipping
|
||||
else forwarding
|
||||
time = time + timeinc
|
||||
guess = .true.
|
||||
endif forwarding
|
||||
|
||||
enddo incLooping
|
||||
|
||||
enddo loadCaseLooping
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report summary of whole calculation
|
||||
if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' ###########################################################################'
|
||||
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)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
flush(6)
|
||||
call MPI_file_close(resUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
notConvergedCounter + convergedCounter, ' (', &
|
||||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
endif
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
|
||||
call quit(0_pInt) ! no complains ;)
|
||||
|
||||
|
|
@ -616,32 +625,16 @@ end program DAMASK_FEM
|
|||
!> @brief quit subroutine to mimic behavior of FEM solvers
|
||||
!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
|
||||
!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
|
||||
!> 2 signals no converged solution and increment of last saved restart information is written to
|
||||
!> 2 signals request for regridding, increment of last saved restart information is written to
|
||||
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine quit(stop_id)
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
use MPI
|
||||
use prec, only: &
|
||||
pInt
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: stop_id
|
||||
integer, dimension(8) :: dateAndTime ! type default integer
|
||||
integer(pInt) :: error = 0_pInt
|
||||
PetscErrorCode :: ierr = 0
|
||||
logical :: ErrorInQuit
|
||||
|
||||
external :: &
|
||||
PETScFinalize
|
||||
|
||||
call PETScFinalize(ierr)
|
||||
if (ierr /= 0) write(6,'(a)') ' Error in PETScFinalize'
|
||||
#ifdef _OPENMP
|
||||
call MPI_finalize(error)
|
||||
if (error /= 0) write(6,'(a)') ' Error in MPI_finalize'
|
||||
#endif
|
||||
ErrorInQuit = (ierr /= 0 .or. error /= 0_pInt)
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a)') 'DAMASK terminated on:'
|
||||
|
|
@ -651,14 +644,12 @@ subroutine quit(stop_id)
|
|||
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
|
||||
dateAndTime(6),':',&
|
||||
dateAndTime(7)
|
||||
|
||||
if (stop_id == 0_pInt .and. .not. ErrorInQuit) stop 0 ! normal termination
|
||||
if (stop_id < 0_pInt .and. .not. ErrorInQuit) then ! terminally ill, restart might help
|
||||
if (stop_id == 0_pInt) stop 0 ! normal termination
|
||||
if (stop_id < 0_pInt) then ! trigger regridding
|
||||
write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
|
||||
stop 2
|
||||
endif
|
||||
if (stop_id == 3_pInt .and. .not. ErrorInQuit) stop 3 ! not all incs converged
|
||||
|
||||
if (stop_id == 3_pInt) stop 3 ! not all incs converged
|
||||
stop 1 ! error (message from IO_error)
|
||||
|
||||
end subroutine quit
|
||||
|
|
|
|||
|
|
@ -9,6 +9,8 @@ module FEM_mech
|
|||
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use PETScDM
|
||||
use PETScDMplex
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
|
|
@ -75,9 +77,6 @@ use PETScsnes
|
|||
PetscDSGetDiscretization, &
|
||||
PetscDualSpaceGetFunctional, &
|
||||
DMGetLabelSize, &
|
||||
DMPlexCopyCoordinates, &
|
||||
DMPlexGetHeightStratum, &
|
||||
DMPlexGetDepthStratum, &
|
||||
DMSNESSetFunctionLocal, &
|
||||
DMSNESSetJacobianLocal, &
|
||||
SNESSetOptionsPrefix, &
|
||||
|
|
@ -209,7 +208,7 @@ subroutine FEM_mech_init(fieldBC)
|
|||
endif
|
||||
enddo; enddo
|
||||
call DMPlexCreateSection(mech_mesh,dimPlex,1,pNumComp,pNumDof, &
|
||||
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_VEC, &
|
||||
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS, &
|
||||
section,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call DMSetDefaultSection(mech_mesh,section,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -607,7 +606,7 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! apply boundary conditions
|
||||
call DMPlexCreateRigidBody(dm_local,matnull,ierr); CHKERRQ(ierr)
|
||||
!call DMPlexCreateRigidBody(dm_local,matnull,ierr); CHKERRQ(ierr) MD: linker error
|
||||
call MatSetNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
||||
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
|
||||
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
|
||||
|
|
|
|||
Loading…
Reference in New Issue