!-------------------------------------------------------------------------------------------------- !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Luc Hantcherli, Max-Planck-Institut für Eisenforschung GmbH !> @author W.A. Counts !> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @brief Interfaces DAMASK with MSC.Marc !> @details Usage: !> @details - choose material as hypela2 !> @details - set statevariable 2 to index of homogenization !> @details - set statevariable 3 to index of microstructure !> @details - use nonsymmetric option for solver (e.g. direct profile or multifrontal sparse, the latter seems to be faster!) !> @details - in case of ddm (domain decomposition) a SYMMETRIC solver has to be used, i.e uncheck "non-symmetric" !> @details Marc subroutines used: !> @details - hypela2 !> @details - uedinc !> @details - flux !> @details - quit !> @details Marc common blocks included: !> @details - concom: lovl, inc !> @details - creeps: timinc !-------------------------------------------------------------------------------------------------- #define QUOTE(x) #x #define PASTE(x,y) x ## y #include "prec.f90" module DAMASK_interface use prec #if __INTEL_COMPILER >= 1800 use, intrinsic :: iso_fortran_env, only: & compiler_version, & compiler_options #endif use ifport, only: & CHDIR implicit none private logical, protected, public :: symmetricSolver character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat' logical, dimension(:,:), public, allocatable :: & calcMode !< calculate or collect (ping pong scheme) public :: & DAMASK_interface_init, & getSolverJobName contains !-------------------------------------------------------------------------------------------------- !> @brief reports and sets working directory !-------------------------------------------------------------------------------------------------- subroutine DAMASK_interface_init integer, dimension(8) :: dateAndTime integer :: ierr character(len=pPathLen) :: wd write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>' write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019' write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030' write(6,'(/,a)') ' Version: '//DAMASKVERSION ! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md #if __INTEL_COMPILER >= 1800 write(6,'(/,a)') ' Compiled with: '//compiler_version() write(6,'(a)') ' Compiler options: '//compiler_options() #else write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,& ', build date :', __INTEL_COMPILER_BUILD_DATE #endif write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__ call date_and_time(values = dateAndTime) write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1) write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7) inquire(5, name=wd) wd = wd(1:scan(wd,'/',back=.true.)) ierr = CHDIR(wd) if (ierr /= 0) then write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist' call quit(1) endif symmetricSolver = solverIsSymmetric() end subroutine DAMASK_interface_init !-------------------------------------------------------------------------------------------------- !> @brief solver job name (no extension) as combination of geometry and load case name !-------------------------------------------------------------------------------------------------- function getSolverJobName() character(len=:), allocatable :: getSolverJobName character(1024) :: inputName character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash integer :: extPos inquire(5, name=inputName) ! determine inputfile extPos = len_trim(inputName)-4 getSolverJobName=inputName(scan(inputName,pathSep,back=.true.)+1:extPos) end function getSolverJobName !-------------------------------------------------------------------------------------------------- !> @brief determines whether a symmetric solver is used !-------------------------------------------------------------------------------------------------- logical function solverIsSymmetric() character(len=pStringLen) :: line integer :: myStat,fileUnit,s,e open(newunit=fileUnit, file=getSolverJobName()//INPUTFILEEXTENSION, & status='old', position='rewind', action='read',iostat=myStat) do read (fileUnit,'(A)',END=100) line if(index(trim(lc(line)),'solver') == 1) then read (fileUnit,'(A)',END=100) line ! next line s = verify(line, ' ') ! start of first chunk s = s + verify(line(s+1:),' ') ! start of second chunk e = s + scan (line(s+1:),' ') ! end of second chunk solverIsSymmetric = line(s:e) /= '1' endif enddo 100 close(fileUnit) contains !-------------------------------------------------------------------------------------------------- !> @brief changes characters in string to lower case !> @details copied from IO_lc !-------------------------------------------------------------------------------------------------- function lc(string) character(len=*), intent(in) :: string !< string to convert character(len=len(string)) :: lc character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz' character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ' integer :: i,n do i=1,len(string) lc(i:i) = string(i:i) n = index(UPPER,lc(i:i)) if (n/=0) lc(i:i) = LOWER(n:n) enddo end function lc end function solverIsSymmetric end module DAMASK_interface #include "commercialFEM_fileList.f90" !-------------------------------------------------------------------------------------------------- !> @brief This is the MSC.Marc user subroutine for defining material behavior !> @details (1) F,R,U are only available for continuum and membrane elements (not for !> @details shells and beams). !> @details !> @details (2) Use the -> 'Plasticity,3' card(=update+finite+large disp+constant d) !> @details in the parameter section of input deck (updated Lagrangian formulation). !-------------------------------------------------------------------------------------------------- subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, & dispt,coord,ffn,frotn,strechn,eigvn,ffn1,frotn1, & strechn1,eigvn1,ncrd,itel,ndeg,ndm,nnode, & jtype,lclass,ifr,ifu) use prec use DAMASK_interface use numerics use FEsolving use debug use discretization_marc use homogenization use CPFEM implicit none !$ include "omp_lib.h" ! the openMP function library integer, intent(in) :: & ! according to MSC.Marc 2012 Manual D ngens, & !< size of stress-strain law nn, & !< integration point number ndi, & !< number of direct components nshear, & !< number of shear components ncrd, & !< number of coordinates itel, & !< dimension of F and R, either 2 or 3 ndeg, & !< number of degrees of freedom ndm, & !< not specified in MSC.Marc 2012 Manual D nnode, & !< number of nodes per element jtype, & !< element type ifr, & !< set to 1 if R has been calculated ifu !< set to 1 if stretch has been calculated integer, dimension(2), intent(in) :: & ! according to MSC.Marc 2012 Manual D m, & !< (1) user element number, (2) internal element number matus, & !< (1) user material identification number, (2) internal material identification number kcus, & !< (1) layer number, (2) internal layer number lclass !< (1) element class, (2) 0: displacement, 1: low order Herrmann, 2: high order Herrmann real(pReal), dimension(*), intent(in) :: & ! has dimension(1) according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(*) e, & !< total elastic strain de, & !< increment of strain dt !< increment of state variables real(pReal), dimension(itel), intent(in) :: & ! according to MSC.Marc 2012 Manual D strechn, & !< square of principal stretch ratios, lambda(i) at t=n strechn1 !< square of principal stretch ratios, lambda(i) at t=n+1 real(pReal), dimension(3,3), intent(in) :: & ! has dimension(itel,*) according to MSC.Marc 2012 Manual D, but we alway assume dimension(3,3) ffn, & !< deformation gradient at t=n ffn1 !< deformation gradient at t=n+1 real(pReal), dimension(itel,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D frotn, & !< rotation tensor at t=n eigvn, & !< i principal direction components for j eigenvalues at t=n frotn1, & !< rotation tensor at t=n+1 eigvn1 !< i principal direction components for j eigenvalues at t=n+1 real(pReal), dimension(ndeg,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D disp, & !< incremental displacements dispt !< displacements at t=n (at assembly, lovl=4) and displacements at t=n+1 (at stress recovery, lovl=6) real(pReal), dimension(ncrd,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D coord !< coordinates real(pReal), dimension(*), intent(inout) :: & ! according to MSC.Marc 2012 Manual D t !< state variables (comes in at t=n, must be updated to have state variables at t=n+1) real(pReal), dimension(ndi+nshear), intent(out) :: & ! has dimension(*) according to MSC.Marc 2012 Manual D, but we need to loop over it s, & !< stress - should be updated by user g !< change in stress due to temperature effects real(pReal), dimension(ngens,ngens), intent(out) :: & ! according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(ngens,*) d !< stress-strain law to be formed !-------------------------------------------------------------------------------------------------- ! Marc common blocks are in fixed format so they have to be reformated to free format (f90) ! Beware of changes in newer Marc versions #include QUOTE(PASTE(./marc/include/concom,Marc4DAMASK)) ! concom is needed for inc, lovl #include QUOTE(PASTE(./marc/include/creeps,Marc4DAMASK)) ! creeps is needed for timinc (time increment) logical :: cutBack real(pReal), dimension(6) :: stress real(pReal), dimension(6,6) :: ddsdde integer :: computationMode, i, cp_en, node, CPnodeID !$ integer(4) :: defaultNumThreadsInt !< default value set by Marc if (iand(debug_level(debug_MARC),debug_LEVELBASIC) /= 0) then write(6,'(a,/,i8,i8,i2)') ' MSC.MARC information on shape of element(2), IP:', m, nn write(6,'(a,2(i1))') ' Jacobian: ', ngens,ngens write(6,'(a,i1)') ' Direct stress: ', ndi write(6,'(a,i1)') ' Shear stress: ', nshear write(6,'(a,i2)') ' DoF: ', ndeg write(6,'(a,i2)') ' Coordinates: ', ncrd write(6,'(a,i12)') ' Nodes: ', nnode write(6,'(a,i1)') ' Deformation gradient: ', itel write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', & transpose(ffn) write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', & transpose(ffn1) endif !$ defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc !$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS if (.not. CPFEM_init_done) call CPFEM_initAll(m(1),nn) computationMode = 0 ! save initialization value, since it does not result in any calculation if (lovl == 4 ) then ! jacobian requested by marc if (timinc < theDelta .and. theInc == inc .and. lastLovl /= lovl) & ! first after cutback computationMode = CPFEM_RESTOREJACOBIAN elseif (lovl == 6) then ! stress requested by marc cp_en = mesh_FEM2DAMASK_elem(m(1)) if (cptim > theTime .or. inc /= theInc) then ! reached "convergence" terminallyIll = .false. cycleCounter = -1 ! first calc step increments this to cycle = 0 if (inc == 0) then ! >> start of analysis << lastIncConverged = .false. ! no Jacobian backup outdatedByNewInc = .false. ! no aging of state calcMode = .false. ! pretend last step was collection lastLovl = lovl ! pretend that this is NOT the first after a lovl change write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> start of analysis..! ',m(1),nn flush(6) else if (inc - theInc > 1) then ! >> restart of broken analysis << lastIncConverged = .false. ! no Jacobian backup outdatedByNewInc = .false. ! no aging of state calcMode = .true. ! pretend last step was calculation write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> restart of analysis..! ',m(1),nn flush(6) else ! >> just the next inc << lastIncConverged = .true. ! request Jacobian backup outdatedByNewInc = .true. ! request aging of state calcMode = .true. ! assure last step was calculation write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> new increment..! ',m(1),nn flush(6) endif else if ( timinc < theDelta ) then ! >> cutBack << lastIncConverged = .false. ! no Jacobian backup outdatedByNewInc = .false. ! no aging of state terminallyIll = .false. cycleCounter = -1 ! first calc step increments this to cycle = 0 calcMode = .true. ! pretend last step was calculation write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> cutback detected..! ',m(1),nn flush(6) endif ! convergence treatment end if (usePingPong) then calcMode(nn,cp_en) = .not. calcMode(nn,cp_en) ! ping pong (calc <--> collect) if (calcMode(nn,cp_en)) then ! now --- CALC --- computationMode = CPFEM_CALCRESULTS if (lastLovl /= lovl) then ! first after ping pong call debug_reset() ! resets debugging outdatedFFN1 = .false. cycleCounter = cycleCounter + 1 !mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates !call mesh_build_ipCoordinates() ! update ip coordinates endif if (outdatedByNewInc) then computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results outdatedByNewInc = .false. ! reset flag endif else ! now --- COLLECT --- computationMode = CPFEM_COLLECT ! plain collect if (lastLovl /= lovl .and. & .not. terminallyIll) & call debug_info() ! first after ping pong reports (meaningful) debugging if (lastIncConverged) then computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! collect and backup Jacobian after convergence lastIncConverged = .false. ! reset flag endif !do node = 1,theMesh%elem%nNodes !CPnodeID = mesh_element(4+node,cp_en) !mesh_node(1:ndeg,CPnodeID) = mesh_node0(1:ndeg,CPnodeID) + numerics_unitlength * dispt(1:ndeg,node) !enddo endif else ! --- PLAIN MODE --- computationMode = CPFEM_CALCRESULTS ! always calc if (lastLovl /= lovl) then if (.not. terminallyIll) & call debug_info() ! first reports (meaningful) debugging call debug_reset() ! and resets debugging outdatedFFN1 = .false. cycleCounter = cycleCounter + 1 !mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates !call mesh_build_ipCoordinates() ! update ip coordinates endif if (outdatedByNewInc) then computationMode = ior(computationMode,CPFEM_AGERESULTS) outdatedByNewInc = .false. ! reset flag endif if (lastIncConverged) then computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! backup Jacobian after convergence lastIncConverged = .false. ! reset flag endif endif theTime = cptim ! record current starting time theDelta = timinc ! record current time increment theInc = inc ! record current increment number endif lastLovl = lovl ! record lovl call CPFEM_general(computationMode,usePingPong,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde) d = ddsdde(1:ngens,1:ngens) s = stress(1:ndi+nshear) g = 0.0_pReal if(symmetricSolver) d = 0.5_pReal*(d+transpose(d)) !$ call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value end subroutine hypela2 !-------------------------------------------------------------------------------------------------- !> @brief calculate internal heat generated due to inelastic energy dissipation !-------------------------------------------------------------------------------------------------- subroutine flux(f,ts,n,time) use prec use thermal_conduction use discretization_marc implicit none real(pReal), dimension(6), intent(in) :: & ts integer, dimension(10), intent(in) :: & n real(pReal), intent(in) :: & time real(pReal), dimension(2), intent(out) :: & f call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1))) end subroutine flux !-------------------------------------------------------------------------------------------------- !> @brief trigger writing of results !> @details uedinc is called before each new increment, not at the end of a converged one. !> Therefore, storing the last written inc with an 'save' variable is required to avoid writing the ! same increment multiple times. !-------------------------------------------------------------------------------------------------- subroutine uedinc(inc,incsub) use prec use CPFEM implicit none integer, intent(in) :: inc, incsub integer, save :: inc_written #include QUOTE(PASTE(./marc/include/creeps,Marc4DAMASK)) ! creeps is needed for timinc (time increment) if (inc > inc_written) then call CPFEM_results(inc,cptim) inc_written = inc endif end subroutine uedinc