!-------------------------------------------------------------------------------------------------- !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @brief Parse geometry file to set up discretization and geometry for nonlocal model !-------------------------------------------------------------------------------------------------- module mesh #include use PETScsys use prec use system_routines use DAMASK_interface use IO use debug use discretization use geometry_plastic_nonlocal use FEsolving implicit none private real(pReal), dimension(:,:,:), allocatable, public :: & mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!) integer, dimension(3), public, protected :: & grid !< (global) grid integer, public, protected :: & grid3, & !< (local) grid in 3rd direction grid3Offset !< (local) grid offset in 3rd direction real(pReal), dimension(3), public, protected :: & geomSize real(pReal), public, protected :: & size3, & !< (local) size in 3rd direction size3offset !< (local) size offset in 3rd direction public :: & mesh_init contains !-------------------------------------------------------------------------------------------------- !> @brief initializes the mesh by calling all necessary private routines the mesh module !! Order and routines strongly depend on type of solver !-------------------------------------------------------------------------------------------------- subroutine mesh_init(ip,el) integer, intent(in), optional :: el, ip include 'fftw3-mpi.f03' integer(C_INTPTR_T) :: devNull, local_K, local_K_offset integer :: ierr, worldsize, j real(pReal), dimension(:,:), allocatable :: IPvolume integer, dimension(:), allocatable :: & microstructureAt, & homogenizationAt logical :: myDebug write(6,'(/,a)') ' <<<+- mesh init -+>>>' myDebug = (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) call mesh_spectral_read_grid(grid,geomSize,microstructureAt,homogenizationAt) call MPI_comm_size(PETSC_COMM_WORLD, worldsize, ierr) if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_comm_size') if(worldsize>grid(3)) call IO_error(894_pInt, ext_msg='number of processes exceeds grid(3)') call fftw_mpi_init() devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T), & int(grid(2),C_INTPTR_T), & int(grid(1),C_INTPTR_T)/2+1, & PETSC_COMM_WORLD, & local_K, & ! domain grid size along z local_K_offset) ! domain grid offset along z grid3 = int(local_K) grid3Offset = int(local_K_offset) size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal) size3Offset = geomSize(3)*real(grid3Offset,pReal)/real(grid(3),pReal) microstructureAt = microstructureAt(product(grid(1:2))*grid3Offset+1: & product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI homogenizationAt = homogenizationAt(product(grid(1:2))*grid3Offset+1: & product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI mesh_ipCoordinates = mesh_build_ipCoordinates([grid(1:2),grid3],[geomSize(1:2),size3],grid3Offset) if (myDebug) write(6,'(a)') ' Built IP coordinates'; flush(6) allocate(IPvolume(1,grid(1)*grid(2)*grid3),source=product([geomSize(1:2),size3]/real([grid(1:2),grid3]))) call geometry_plastic_nonlocal_setIPvolume(IPvolume) call geometry_plastic_nonlocal_setIParea(mesh_build_ipAreas([geomSize(1:2),size3],[grid(1:2),grid3])) call geometry_plastic_nonlocal_setIPareaNormal(mesh_build_ipNormals(grid(1)*grid(2)*grid3)) call geometry_plastic_nonlocal_setIPneighborhood(mesh_spectral_build_ipNeighborhood([grid(1:2),grid3])) if (myDebug) write(6,'(a)') ' Built nonlocal geometry'; flush(6) if (debug_e < 1 .or. debug_e > grid(1)*grid(2)*grid3) & call IO_error(602,ext_msg='element') ! selected element does not exist if (debug_i /= 1) & call IO_error(602,ext_msg='IP') ! selected element does not have requested IP FEsolving_execElem = [1,grid(1)*grid(2)*grid3] ! parallel loop bounds set to comprise all DAMASK elements allocate(FEsolving_execIP(2,grid(1)*grid(2)*grid3), source=1) ! parallel loop bounds set to comprise from first IP... forall (j = 1:grid(1)*grid(2)*grid3) FEsolving_execIP(2,j) = 1 ! ...up to own IP count for each element call discretization_init(homogenizationAt,microstructureAt, & reshape(mesh_ipCoordinates,[3,grid(1)*grid(2)*grid3]),& mesh_spectral_build_nodes([grid(1:2),grid3],[geomSize(1:2),size3],grid3Offset)) end subroutine mesh_init !-------------------------------------------------------------------------------------------------- !> @brief Parses geometry file !> @details important variables have an implicit "save" attribute. Therefore, this function is ! supposed to be called only once! !-------------------------------------------------------------------------------------------------- subroutine mesh_spectral_read_grid(grid,geomSize,microstructure,homogenization) integer, dimension(3), intent(out) :: grid ! grid (for all processes!) real(pReal), dimension(3), intent(out) :: geomSize ! size (for all processes!) integer, dimension(:), intent(out), allocatable :: & microstructure, & homogenization character(len=:), allocatable :: rawData character(len=65536) :: line integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: h =- 1_pInt integer(pInt) :: & headerLength = -1_pInt, & !< length of header (in lines) fileLength, & !< length of the geom file (in characters) fileUnit, & startPos, endPos, & myStat, & l, & !< line counter c, & !< counter for # microstructures in line o, & !< order of "to" packing e, & !< "element", i.e. spectral collocation point i, j grid = -1_pInt geomSize = -1.0_pReal !-------------------------------------------------------------------------------------------------- ! read data as stream inquire(file = trim(geometryFile), size=fileLength) open(newunit=fileUnit, file=trim(geometryFile), access='stream',& status='old', position='rewind', action='read',iostat=myStat) if(myStat /= 0_pInt) call IO_error(100_pInt,ext_msg=trim(geometryFile)) allocate(character(len=fileLength)::rawData) read(fileUnit) rawData close(fileUnit) !-------------------------------------------------------------------------------------------------- ! get header length endPos = index(rawData,new_line('')) if(endPos <= index(rawData,'head')) then startPos = len(rawData) call IO_error(error_ID=841_pInt, ext_msg='mesh_spectral_read_grid') else chunkPos = IO_stringPos(rawData(1:endPos)) if (chunkPos(1) < 2_pInt) call IO_error(error_ID=841_pInt, ext_msg='mesh_spectral_read_grid') headerLength = IO_intValue(rawData(1:endPos),chunkPos,1_pInt) startPos = endPos + 1_pInt endif !-------------------------------------------------------------------------------------------------- ! read and interprete header l = 0 do while (l < headerLength .and. startPos < len(rawData)) endPos = startPos + index(rawData(startPos:),new_line('')) - 1_pInt if (endPos < startPos) endPos = len(rawData) ! end of file without new line line = rawData(startPos:endPos) startPos = endPos + 1_pInt l = l + 1_pInt chunkPos = IO_stringPos(trim(line)) if (chunkPos(1) < 2) cycle ! need at least one keyword value pair select case ( IO_lc(IO_StringValue(trim(line),chunkPos,1_pInt,.true.)) ) case ('grid') if (chunkPos(1) > 6) then do j = 2_pInt,6_pInt,2_pInt select case (IO_lc(IO_stringValue(line,chunkPos,j))) case('a') grid(1) = IO_intValue(line,chunkPos,j+1_pInt) case('b') grid(2) = IO_intValue(line,chunkPos,j+1_pInt) case('c') grid(3) = IO_intValue(line,chunkPos,j+1_pInt) end select enddo endif case ('size') if (chunkPos(1) > 6) then do j = 2_pInt,6_pInt,2_pInt select case (IO_lc(IO_stringValue(line,chunkPos,j))) case('x') geomSize(1) = IO_floatValue(line,chunkPos,j+1_pInt) case('y') geomSize(2) = IO_floatValue(line,chunkPos,j+1_pInt) case('z') geomSize(3) = IO_floatValue(line,chunkPos,j+1_pInt) end select enddo endif case ('homogenization') if (chunkPos(1) > 1) h = IO_intValue(line,chunkPos,2_pInt) end select enddo !-------------------------------------------------------------------------------------------------- ! sanity checks if(h < 1_pInt) & call IO_error(error_ID = 842_pInt, ext_msg='homogenization (mesh_spectral_read_grid)') if(any(grid < 1_pInt)) & call IO_error(error_ID = 842_pInt, ext_msg='grid (mesh_spectral_read_grid)') if(any(geomSize < 0.0_pReal)) & call IO_error(error_ID = 842_pInt, ext_msg='size (mesh_spectral_read_grid)') allocate(microstructure(product(grid)), source = -1) ! too large in case of MPI (shrink later, not very elegant) allocate(homogenization(product(grid)), source = h) ! too large in case of MPI (shrink later, not very elegant) !-------------------------------------------------------------------------------------------------- ! read and interpret content e = 1_pInt do while (startPos < len(rawData)) endPos = startPos + index(rawData(startPos:),new_line('')) - 1_pInt if (endPos < startPos) endPos = len(rawData) ! end of file without new line line = rawData(startPos:endPos) startPos = endPos + 1_pInt l = l + 1_pInt chunkPos = IO_stringPos(trim(line)) noCompression: if (chunkPos(1) /= 3) then c = chunkPos(1) microstructure(e:e+c-1_pInt) = [(IO_intValue(line,chunkPos,i+1_pInt), i=0_pInt, c-1_pInt)] else noCompression compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then c = IO_intValue(line,chunkPos,1) microstructure(e:e+c-1_pInt) = [(IO_intValue(line,chunkPos,3),i = 1_pInt,IO_intValue(line,chunkPos,1))] else if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to') then compression c = abs(IO_intValue(line,chunkPos,3) - IO_intValue(line,chunkPos,1)) + 1_pInt o = merge(+1_pInt, -1_pInt, IO_intValue(line,chunkPos,3) > IO_intValue(line,chunkPos,1)) microstructure(e:e+c-1_pInt) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)] else compression c = chunkPos(1) microstructure(e:e+c-1_pInt) = [(IO_intValue(line,chunkPos,i+1_pInt), i=0_pInt, c-1_pInt)] endif compression endif noCompression e = e+c end do if (e-1 /= product(grid)) call IO_error(error_ID = 843_pInt, el=e) end subroutine mesh_spectral_read_grid !--------------------------------------------------------------------------------------------------- !> @brief Calculates position of nodes (pretend to be an element) !--------------------------------------------------------------------------------------------------- pure function mesh_spectral_build_nodes(grid,geomSize,grid3Offset) result(nodes) integer, dimension(3), intent(in) :: grid ! grid (for this process!) real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!) integer, intent(in) :: grid3Offset ! grid(3) offset real(pReal), dimension(3,product(grid+1)) :: nodes integer :: n,a,b,c n = 0 do c = 0, grid3 do b = 0, grid(2) do a = 0, grid(1) n = n + 1 nodes(1:3,n) = geomSize/real(grid,pReal) * real([a,b,grid3Offset+c],pReal) enddo enddo enddo end function mesh_spectral_build_nodes !--------------------------------------------------------------------------------------------------- !> @brief Calculates position of IPs/cell centres (pretend to be an element) !--------------------------------------------------------------------------------------------------- function mesh_build_ipCoordinates(grid,geomSize,grid3Offset) result(ipCoordinates) integer, dimension(3), intent(in) :: grid ! grid (for this process!) real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!) integer, intent(in) :: grid3Offset ! grid(3) offset real(pReal), dimension(3,1,product(grid)) :: ipCoordinates integer :: n,a,b,c n = 0 do c = 1, grid(3) do b = 1, grid(2) do a = 1, grid(1) n = n + 1 ipCoordinates(1:3,1,n) = geomSize/real(grid,pReal) * (real([a,b,grid3Offset+c],pReal) -0.5_pReal) enddo enddo enddo end function mesh_build_ipCoordinates !-------------------------------------------------------------------------------------------------- !> @brief build neighborhood relations for spectral !> @details assign globals: mesh_ipNeighborhood !-------------------------------------------------------------------------------------------------- pure function mesh_spectral_build_ipNeighborhood(grid) result(IPneighborhood) integer, dimension(3), intent(in) :: grid ! grid (for this process!) integer, dimension(3,6,1,product(grid)) :: IPneighborhood !< 6 or less neighboring IPs as [element_num, IP_index, neighbor_index that points to me] integer :: & x,y,z, & e e = 0 do z = 0,grid(3)-1 do y = 0,grid(2)-1 do x = 0,grid(1)-1 e = e + 1 IPneighborhood(1,1,1,e) = z * grid(1) * grid(2) & + y * grid(1) & + modulo(x+1,grid(1)) & + 1 IPneighborhood(1,2,1,e) = z * grid(1) * grid(2) & + y * grid(1) & + modulo(x-1,grid(1)) & + 1 IPneighborhood(1,3,1,e) = z * grid(1) * grid(2) & + modulo(y+1,grid(2)) * grid(1) & + x & + 1 IPneighborhood(1,4,1,e) = z * grid(1) * grid(2) & + modulo(y-1,grid(2)) * grid(1) & + x & + 1 IPneighborhood(1,5,1,e) = modulo(z+1,grid(3)) * grid(1) * grid(2) & + y * grid(1) & + x & + 1 IPneighborhood(1,6,1,e) = modulo(z-1,grid(3)) * grid(1) * grid(2) & + y * grid(1) & + x & + 1 IPneighborhood(2,1:6,1,e) = 1 IPneighborhood(3,1,1,e) = 2 IPneighborhood(3,2,1,e) = 1 IPneighborhood(3,3,1,e) = 4 IPneighborhood(3,4,1,e) = 3 IPneighborhood(3,5,1,e) = 6 IPneighborhood(3,6,1,e) = 5 enddo enddo enddo end function mesh_spectral_build_ipNeighborhood !-------------------------------------------------------------------------------------------------- !> @brief calculation of IP interface areas !-------------------------------------------------------------------------------------------------- pure function mesh_build_ipAreas(geomSize,grid) result(IPareas) real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!) integer, dimension(3), intent(in) :: grid ! grid (for this process!) real(pReal), dimension(6,1,product(grid)) :: IPareas IPareas(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3)) IPareas(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1)) IPareas(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2)) end function mesh_build_ipAreas !-------------------------------------------------------------------------------------------------- !> @brief calculation of IP interface areas normals !-------------------------------------------------------------------------------------------------- pure function mesh_build_ipNormals(nElems) result(IPnormals) integer, intent(in) :: nElems real, dimension(3,6,1,nElems) :: IPnormals IPnormals(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems) IPnormals(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems) IPnormals(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems) IPnormals(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems) IPnormals(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems) IPnormals(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems) end function mesh_build_ipNormals !-------------------------------------------------------------------------------------------------- !> @brief builds mesh of (distorted) cubes for given coordinates (= center of the cubes) !-------------------------------------------------------------------------------------------------- function mesh_nodesAroundCentres(gDim,Favg,centres) result(nodes) real(pReal), intent(in), dimension(:,:,:,:) :: & centres real(pReal), dimension(3,size(centres,2)+1,size(centres,3)+1,size(centres,4)+1) :: & nodes real(pReal), intent(in), dimension(3) :: & gDim real(pReal), intent(in), dimension(3,3) :: & Favg real(pReal), dimension(3,size(centres,2)+2,size(centres,3)+2,size(centres,4)+2) :: & wrappedCentres integer(pInt) :: & i,j,k,n integer(pInt), dimension(3), parameter :: & diag = 1_pInt integer(pInt), dimension(3) :: & shift = 0_pInt, & lookup = 0_pInt, & me = 0_pInt, & iRes = 0_pInt integer(pInt), dimension(3,8) :: & neighbor = reshape([ & 0_pInt, 0_pInt, 0_pInt, & 1_pInt, 0_pInt, 0_pInt, & 1_pInt, 1_pInt, 0_pInt, & 0_pInt, 1_pInt, 0_pInt, & 0_pInt, 0_pInt, 1_pInt, & 1_pInt, 0_pInt, 1_pInt, & 1_pInt, 1_pInt, 1_pInt, & 0_pInt, 1_pInt, 1_pInt ], [3,8]) !-------------------------------------------------------------------------------------------------- ! initializing variables iRes = [size(centres,2),size(centres,3),size(centres,4)] nodes = 0.0_pReal wrappedCentres = 0.0_pReal !-------------------------------------------------------------------------------------------------- ! building wrappedCentres = centroids + ghosts wrappedCentres(1:3,2_pInt:iRes(1)+1_pInt,2_pInt:iRes(2)+1_pInt,2_pInt:iRes(3)+1_pInt) = centres do k = 0_pInt,iRes(3)+1_pInt do j = 0_pInt,iRes(2)+1_pInt do i = 0_pInt,iRes(1)+1_pInt if (k==0_pInt .or. k==iRes(3)+1_pInt .or. & ! z skin j==0_pInt .or. j==iRes(2)+1_pInt .or. & ! y skin i==0_pInt .or. i==iRes(1)+1_pInt ) then ! x skin me = [i,j,k] ! me on skin shift = sign(abs(iRes+diag-2_pInt*me)/(iRes+diag),iRes+diag-2_pInt*me) lookup = me-diag+shift*iRes wrappedCentres(1:3,i+1_pInt, j+1_pInt, k+1_pInt) = & centres(1:3,lookup(1)+1_pInt,lookup(2)+1_pInt,lookup(3)+1_pInt) & - matmul(Favg, real(shift,pReal)*gDim) endif enddo; enddo; enddo !-------------------------------------------------------------------------------------------------- ! averaging do k = 0_pInt,iRes(3); do j = 0_pInt,iRes(2); do i = 0_pInt,iRes(1) do n = 1_pInt,8_pInt nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) = & nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) + wrappedCentres(1:3,i+1_pInt+neighbor(1,n), & j+1_pInt+neighbor(2,n), & k+1_pInt+neighbor(3,n) ) enddo enddo; enddo; enddo nodes = nodes/8.0_pReal end function mesh_nodesAroundCentres end module mesh