From f7c20d74afaadb23d5d3e46a6a650b18d662c634 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 18 Aug 2018 15:58:42 +0200 Subject: [PATCH] compiles now, but most likely does not work --- src/CMakeLists.txt | 6 +- src/DAMASK_FEM.f90 | 837 ++++++++++++++++++++++----------------------- src/FEM_mech.f90 | 9 +- 3 files changed, 423 insertions(+), 429 deletions(-) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index caaf0b893..43381532b 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -175,20 +175,24 @@ if (PROJECT_NAME STREQUAL "DAMASK_spectral") "spectral_mech_Basic.f90") add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES) list(APPEND OBJECTFILES $) + if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES}) else() add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90") endif() + add_dependencies(DAMASK_spectral SPECTRAL_SOLVER) elseif (PROJECT_NAME STREQUAL "DAMASK_FEM") add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90") add_dependencies(FEM_UTILITIES DAMASK_CPFE) + list(APPEND OBJECTFILES $) add_library(FEM_SOLVER OBJECT "FEM_mech.f90") add_dependencies(FEM_SOLVER FEM_UTILITIES) + list(APPEND OBJECTFILES $) - add_executable(DAMASK_FEM "DAMASK_FEM.f90") + add_executable(DAMASK_FEM "DAMASK_FEM.f90" ${OBJECTFILES}) add_dependencies(DAMASK_FEM FEM_SOLVER) endif() diff --git a/src/DAMASK_FEM.f90 b/src/DAMASK_FEM.f90 index 60134f861..b0f6e5d97 100644 --- a/src/DAMASK_FEM.f90 +++ b/src/DAMASK_FEM.f90 @@ -2,30 +2,20 @@ !> @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 FEM solvers +!> @brief Driver controlling inner and outer load case looping of the FEM solver !> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing !> results !-------------------------------------------------------------------------------------------------- -program DAMASK_FEM -#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 - use, intrinsic :: iso_fortran_env, only: & - compiler_version, & - compiler_options -#endif -#include - use PETScsys +program DAMASK_FEM + use, intrinsic :: & + iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use prec, only: & pInt, & - pLongInt, & pReal, & - tol_math_check, & - dNeq - use system_routines, only: & - getCWD + tol_math_check use DAMASK_interface, only: & DAMASK_interface_init, & loadCaseFile, & - geometryFile, & getSolverJobName, & appendToOutFile use IO, only: & @@ -47,110 +37,120 @@ program DAMASK_FEM debug_spectral, & debug_levelBasic use math ! need to include the whole module for FFTW - use mesh, only: & - grid, & - geomSize use CPFEM2, only: & CPFEM_initAll use FEsolving, only: & restartWrite, & restartInc use numerics, only: & - worldrank, & - worldsize, & - stagItMax, & maxCutBack, & - spectral_solver, & - continueCalculation - use homogenization, only: & - materialpoint_sizeResults, & - materialpoint_results, & - materialpoint_postResults - use material, only: & - thermal_type, & - damage_type, & - THERMAL_conduction_ID, & - DAMAGE_nonlocal_ID - use FEM_utilities + stagItMax, & + worldrank + use mesh, only: & + mesh_Nboundaries, & + mesh_boundaries, & + geomMesh + use FEM_Utilities, only: & + utilities_init, & + tSolutionState, & + tLoadCase, & + cutBack, & + maxFields, & + nActiveFields, & + FIELD_MECH_ID, & + FIELD_THERMAL_ID, & + FIELD_DAMAGE_ID, & + FIELD_SOLUTE_ID, & + FIELD_MGTWIN_ID, & + COMPONENT_MECH_X_ID, & + COMPONENT_MECH_Y_ID, & + COMPONENT_MECH_Z_ID, & + COMPONENT_THERMAL_T_ID, & + COMPONENT_DAMAGE_PHI_ID, & + COMPONENT_SOLUTE_CV_ID, & + COMPONENT_SOLUTE_CVPOT_ID, & + COMPONENT_SOLUTE_CH_ID, & + COMPONENT_SOLUTE_CHPOT_ID, & + COMPONENT_SOLUTE_CVaH_ID, & + COMPONENT_SOLUTE_CVaHPOT_ID, & + COMPONENT_MGTWIN_PHI_ID, & + FIELD_MECH_label, & + FIELD_THERMAL_label, & + FIELD_DAMAGE_label, & + FIELD_SOLUTE_label, & + FIELD_MGTWIN_label use FEM_mech - + implicit none +#include !-------------------------------------------------------------------------------------------------- ! variables related to information from load case and geom file - 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 - integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature - integer(pInt), allocatable, dimension(:) :: chunkPos - + integer(pInt), parameter :: FILEUNIT = 234_pInt !< file unit, DAMASK IO does not support newunit feature + integer(pInt), allocatable, dimension(:) :: chunkPos ! this is longer than needed for geometry parsing + integer(pInt) :: & - N_t = 0_pInt, & !< # of time indicators found in load case file - N_n = 0_pInt, & !< # of increment specifiers found in load case file N_def = 0_pInt !< # of rate of deformation specifiers found in load case file character(len=65536) :: & line !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. - real(pReal), dimension(3,3), parameter :: & - ones = 1.0_pReal, & - zeros = 0.0_pReal + integer(pInt), parameter :: & subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0 real(pReal) :: & time = 0.0_pReal, & !< elapsed time time0 = 0.0_pReal, & !< begin of interval - timeinc = 1.0_pReal, & !< current time interval + timeinc = 0.0_pReal, & !< current time interval timeIncOld = 0.0_pReal, & !< previous time interval remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case logical :: & - guess, & !< guess along former trajectory - stagIterate + guess !< guess along former trajectory integer(pInt) :: & - i, j, k, l, field, & + i, & 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 + currentFace = 0_pInt, & inc, & !< current increment in current load case - totalIncsCounter = 0_pInt, & !< total # of increments - convergedCounter = 0_pInt, & !< # of converged increments - notConvergedCounter = 0_pInt, & !< # of non-converged increments - resUnit = 0_pInt, & !< file unit for results writing + totalIncsCounter = 0_pInt, & !< total No. of increments + convergedCounter = 0_pInt, & !< No. of converged increments + notConvergedCounter = 0_pInt, & !< No. of non-converged increments statUnit = 0_pInt, & !< file unit for statistics output - lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written - stagIter + lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written + integer(pInt) :: & + stagIter, & + component + logical :: & + stagIterate character(len=6) :: loadcase_string - character(len=1024) :: & - incInfo, & !< string parsed to solution with information about current load case - workingDir + character(len=1024) :: incInfo !< string parsed to solution with information about current load case type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tSolutionState), allocatable, dimension(:) :: solres - 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 - integer(pInt), parameter :: maxRealOut = maxByteOut/pReal - integer(pLongInt), dimension(2) :: outputIndex - integer :: ierr + PetscInt :: faceSet, currentFaceSet + PetscInt :: field, dimPlex + PetscErrorCode :: ierr external :: & + MPI_abort, & + DMGetDimension, & + DMGetLabelSize, & + DMGetLabelIdIS, & + ISDestroy, & quit - - !-------------------------------------------------------------------------------------------------- ! init DAMASK (all modules) call CPFEM_initAll(el = 1_pInt, ip = 1_pInt) - write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>' - write(6,'(/,a,/)') ' Roters et al., Computational Materials Science, 2018' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() + write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - -!-------------------------------------------------------------------------------------------------- -! initialize field solver information + +! reading basic information from load case file and allocate data structure containing load cases + call DMGetDimension(geomMesh,dimPlex,ierr)! CHKERRQ(ierr) !< dimension of mesh (2D or 3D) 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)) !-------------------------------------------------------------------------------------------------- @@ -162,37 +162,36 @@ program DAMASK_FEM if (trim(line) == IO_EOF) exit if (IO_isBlank(line)) cycle ! skip empty lines chunkPos = IO_stringPos(line) - do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase + do i = 1_pInt, chunkPos(1) ! reading compulsory parameters for loadcase select case (IO_lc(IO_stringValue(line,chunkPos,i))) - case('l','velocitygrad','velgrad','velocitygradient','fdot','dotf','f') + case('$loadcase') N_def = N_def + 1_pInt - 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 enddo ! count all identifiers to allocate memory and do sanity check enddo - if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1_pInt) & ! sanity check - call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase - allocate (loadCases(N_n)) ! array of load cases - loadCases%stress%myType='stress' + allocate (loadCases(N_def)) - do i = 1, size(loadCases) - allocate(loadCases(i)%ID(nActiveFields)) + do i = 1, size(loadCases) + allocate(loadCases(i)%fieldBC(nActiveFields)) field = 1 - loadCases(i)%ID(field) = FIELD_MECH_ID ! mechanical active by default - thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then - field = field + 1 - loadCases(i)%ID(field) = FIELD_THERMAL_ID - endif thermalActive - damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then - field = field + 1 - loadCases(i)%ID(field) = FIELD_DAMAGE_ID - endif damageActive + loadCases(i)%fieldBC(field)%ID = FIELD_MECH_ID enddo + do i = 1, size(loadCases) + do field = 1, nActiveFields + select case (loadCases(i)%fieldBC(field)%ID) + case(FIELD_MECH_ID) + loadCases(i)%fieldBC(field)%nComponents = dimPlex !< X, Y (, Z) displacements + allocate(loadCases(i)%fieldBC(field)%componentBC(loadCases(i)%fieldBC(field)%nComponents)) + end select + do component = 1, loadCases(i)%fieldBC(field)%nComponents + allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pReal) + allocate(loadCases(i)%fieldBC(field)%componentBC(component)%Mask (mesh_Nboundaries), source = .false.) + enddo + enddo + enddo + !-------------------------------------------------------------------------------------------------- ! reading the load case and assign values to the allocated data structure rewind(FILEUNIT) @@ -200,39 +199,20 @@ program DAMASK_FEM line = IO_read(FILEUNIT) if (trim(line) == IO_EOF) exit if (IO_isBlank(line)) cycle ! skip empty lines - currentLoadCase = currentLoadCase + 1_pInt chunkPos = IO_stringPos(line) do i = 1_pInt, chunkPos(1) select case (IO_lc(IO_stringValue(line,chunkPos,i))) - case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient','f') ! assign values for the deformation BC matrix - temp_valueVector = 0.0_pReal - 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 - loadCases(currentLoadCase)%deformation%myType = 'fdot' - else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then - loadCases(currentLoadCase)%deformation%myType = 'f' - else - loadCases(currentLoadCase)%deformation%myType = 'l' - endif - do j = 1_pInt, 9_pInt - 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 +!-------------------------------------------------------------------------------------------------- +! loadcase information + case('$loadcase') + currentLoadCase = IO_intValue(line,chunkPos,i+1_pInt) + case('face') + currentFace = IO_intValue(line,chunkPos,i+1_pInt) + currentFaceSet = -1_pInt + do faceSet = 1, mesh_Nboundaries + if (mesh_boundaries(faceSet) == currentFace) currentFaceSet = faceSet enddo - loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation - transpose(reshape(temp_maskVector,[ 3,3])) - 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 - case('p','pk1','piolakirchhoff','stress', 's') - temp_valueVector = 0.0_pReal - do j = 1_pInt, 9_pInt - 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 - enddo - 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) + if (currentFaceSet < 0_pInt) call IO_error(error_ID = errorID, ext_msg = 'invalid BC') case('t','time','delta') ! increment time loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1_pInt) case('n','incs','increments','steps') ! number of increments @@ -241,34 +221,172 @@ program DAMASK_FEM loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1_pInt) loadCases(currentLoadCase)%logscale = 1_pInt case('freq','frequency','outputfreq') ! frequency of result writings - loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt) + loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1_pInt) case('r','restart','restartwrite') ! frequency of writing restart information loadCases(currentLoadCase)%restartfrequency = & - max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt)) + max(0_pInt,IO_intValue(line,chunkPos,i+1_pInt)) case('guessreset','dropguessing') loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory - case('euler') ! rotation of currentLoadCase given in euler angles - temp_valueVector = 0.0_pReal - l = 1_pInt ! assuming values given in degrees - k = 1_pInt ! assuming keyword indicating degree/radians present - select case (IO_lc(IO_stringValue(line,chunkPos,i+1_pInt))) - case('deg','degree') - case('rad','radian') ! don't convert from degree to radian - l = 0_pInt - case default - k = 0_pInt - end select - do j = 1_pInt, 3_pInt - temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j) - enddo - if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad - loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix - 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) - enddo - loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector) + +!-------------------------------------------------------------------------------------------------- +! boundary condition information + case('x') ! X 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_X_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('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 + 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) @@ -283,382 +401,255 @@ 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 !-------------------------------------------------------------------------------------------------- -! doing initialization depending on selected solver +! 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 + 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 + time0 = time ! currentLoadCase start time + 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 + 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 (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale - timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd + timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd 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)) 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) - - 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 - enddo + call FEM_mech_forward (& + guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field)) + end select + enddo + !-------------------------------------------------------------------------------------------------- ! solve fields stagIter = 0_pInt 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 - 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) + stagIterate = stagIter < stagItMax .and. & + all(solres(:)%converged) .and. & + .not. all(solres(:)%stagConverged) + enddo + +! 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? - endif - - endif skipping + 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 + 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 ;) -end program DAMASK_FEM +end program DAMASK_FEM !-------------------------------------------------------------------------------------------------- !> @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 -!> 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 +!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code +!> 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 - 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:' write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& - dateAndTime(1) + dateAndTime(1) 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 + dateAndTime(7) + 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 diff --git a/src/FEM_mech.f90 b/src/FEM_mech.f90 index bc829b436..50bb68edd 100644 --- a/src/FEM_mech.f90 +++ b/src/FEM_mech.f90 @@ -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)