!-------------------------------------------------------------------------------------------------- !> @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 discretization_grid #include use PETScsys use prec use parallelization use system_routines use base64 use zlib use DAMASK_interface use IO use config use results use discretization use geometry_plastic_nonlocal implicit none private 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 !< (global) physical size real(pReal), public, protected :: & size3, & !< (local) size in 3rd direction size3offset !< (local) size offset in 3rd direction public :: & discretization_grid_init contains !-------------------------------------------------------------------------------------------------- !> @brief reads the geometry file to obtain information on discretization !-------------------------------------------------------------------------------------------------- subroutine discretization_grid_init(restart) logical, intent(in) :: restart include 'fftw3-mpi.f03' real(pReal), dimension(3) :: & mySize, & !< domain size of this process origin !< (global) distance to origin integer, dimension(3) :: & myGrid !< domain grid of this process integer, dimension(:), allocatable :: & materialAt, materialAt_global integer :: & j, & debug_element, debug_ip, & ierr integer(C_INTPTR_T) :: & devNull, z, z_offset integer, dimension(worldsize) :: & displs, sendcounts print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT) if(worldrank == 0) then call readVTR(grid,geomSize,origin,materialAt_global) else allocate(materialAt_global(0)) ! needed for IntelMPI endif call MPI_Bcast(grid,3,MPI_INTEGER,0,PETSC_COMM_WORLD, ierr) if (ierr /= 0) error stop 'MPI error' if (grid(1) < 2) call IO_error(844, ext_msg='cells(1) must be larger than 1') call MPI_Bcast(geomSize,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr) if (ierr /= 0) error stop 'MPI error' call MPI_Bcast(origin,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr) if (ierr /= 0) error stop 'MPI error' print'(/,a,3(i12 ))', ' cells a b c: ', grid print'(a,3(es12.5))', ' size x y z: ', geomSize print'(a,3(es12.5))', ' origin x y z: ', origin if(worldsize>grid(3)) call IO_error(894, 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, & z, & ! domain grid size along z z_offset) ! domain grid offset along z if(z==0_C_INTPTR_T) call IO_error(894, ext_msg='Cannot distribute MPI processes') grid3 = int(z) grid3Offset = int(z_offset) size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal) size3Offset = geomSize(3)*real(grid3Offset,pReal)/real(grid(3),pReal) myGrid = [grid(1:2),grid3] mySize = [geomSize(1:2),size3] call MPI_Gather(product(grid(1:2))*grid3Offset,1,MPI_INTEGER,displs, 1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr) if (ierr /= 0) error stop 'MPI error' call MPI_Gather(product(myGrid), 1,MPI_INTEGER,sendcounts,1,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr) if (ierr /= 0) error stop 'MPI error' allocate(materialAt(product(myGrid))) call MPI_scatterv(materialAt_global,sendcounts,displs,MPI_INTEGER,materialAt,size(materialAt),MPI_INTEGER,0,PETSC_COMM_WORLD,ierr) if (ierr /= 0) error stop 'MPI error' call discretization_init(materialAt, & IPcoordinates0(myGrid,mySize,grid3Offset), & Nodes0(myGrid,mySize,grid3Offset),& merge((grid(1)+1) * (grid(2)+1) * (grid3+1),& ! write top layer... (grid(1)+1) * (grid(2)+1) * grid3,& ! ...unless not last process worldrank+1==worldsize)) !-------------------------------------------------------------------------------------------------- ! store geometry information for post processing if(.not. restart) then call results_openJobFile call results_closeGroup(results_addGroup('geometry')) call results_addAttribute('cells', grid, '/geometry') call results_addAttribute('size', geomSize,'/geometry') call results_addAttribute('origin',origin, '/geometry') call results_closeJobFile endif !-------------------------------------------------------------------------------------------------- ! geometry information required by the nonlocal CP model call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], & [1,product(myGrid)])) call geometry_plastic_nonlocal_setIParea (cellSurfaceArea(mySize,myGrid)) call geometry_plastic_nonlocal_setIPareaNormal (cellSurfaceNormal(product(myGrid))) call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(myGrid)) !------------------------------------------------------------------------------------------------- ! debug parameters debug_element = config_debug%get_asInt('element',defaultVal=1) if (debug_element < 1 .or. debug_element > product(myGrid)) call IO_error(602,ext_msg='element') debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1) if (debug_ip /= 1) call IO_error(602,ext_msg='IP') end subroutine discretization_grid_init !-------------------------------------------------------------------------------------------------- !> @brief Parse vtk rectilinear grid (.vtr) !> @details https://vtk.org/Wiki/VTK_XML_Formats !-------------------------------------------------------------------------------------------------- subroutine readVTR(grid,geomSize,origin,material) integer, dimension(3), intent(out) :: & grid ! grid (across all processes!) real(pReal), dimension(3), intent(out) :: & geomSize, & ! size (across all processes!) origin ! origin (across all processes!) integer, dimension(:), intent(out), allocatable :: & material character(len=:), allocatable :: fileContent, dataType, headerType logical :: inFile,inGrid,gotCoordinates,gotCellData,compressed integer :: fileUnit, myStat, coord integer(pI64) :: & fileLength, & !< length of the geom file (in characters) startPos, endPos, & s grid = -1 geomSize = -1.0_pReal !-------------------------------------------------------------------------------------------------- ! read raw data as stream inquire(file = trim(interface_geomFile), size=fileLength) open(newunit=fileUnit, file=trim(interface_geomFile), access='stream',& status='old', position='rewind', action='read',iostat=myStat) if(myStat /= 0) call IO_error(100,ext_msg=trim(interface_geomFile)) allocate(character(len=fileLength)::fileContent) read(fileUnit) fileContent close(fileUnit) inFile = .false. inGrid = .false. gotCoordinates = .false. gotCelldata = .false. !-------------------------------------------------------------------------------------------------- ! interpret XML file startPos = 1_pI64 do while (startPos < len(fileContent,kind=pI64)) endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64 if (endPos < startPos) endPos = len(fileContent,kind=pI64) ! end of file without new line if(.not. inFile) then if(index(fileContent(startPos:endPos),'',kind=pI64) /= 0_pI64) then gotCellData = .true. do while (index(fileContent(startPos:endPos),'',kind=pI64) == 0_pI64) if(index(fileContent(startPos:endPos),'',kind=pI64) /= 0_pI64) then gotCoordinates = .true. startPos = endPos + 2_pI64 coord = 0 do while (startPos',kind=pI64) /= 0_pI64) exit startPos = endPos + 2_pI64 enddo endif endif endif if(gotCellData .and. gotCoordinates) exit startPos = endPos + 2_pI64 end do material = material + 1 if(.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found') if(size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)') if(any(geomSize<=0)) call IO_error(error_ID = 844, ext_msg='size') if(any(grid<1)) call IO_error(error_ID = 844, ext_msg='grid') if(any(material<0)) call IO_error(error_ID = 844, ext_msg='material ID < 0') contains !------------------------------------------------------------------------------------------------ !> @brief determine size and origin from coordinates !------------------------------------------------------------------------------------------------ subroutine gridSizeOrigin(base64_str,headerType,compressed,dataType,direction) character(len=*), intent(in) :: base64_str, & ! base64 encoded string of 1D coordinates headerType, & ! header type (UInt32 or Uint64) dataType ! data type (Int32, Int64, Float32, Float64) logical, intent(in) :: compressed ! indicate whether data is zlib compressed integer, intent(in) :: direction ! direction (1=x,2=y,3=z) real(pReal), dimension(:), allocatable :: coords,delta coords = as_pReal(base64_str,headerType,compressed,dataType) delta = coords(2:) - coords(:size(coords)-1) if(any(delta<0.0_pReal) .or. dNeq(maxval(delta),minval(delta),1.0e-8_pReal*maxval(abs(coords)))) & call IO_error(error_ID = 844, ext_msg = 'grid spacing') grid(direction) = size(coords)-1 origin(direction) = coords(1) geomSize(direction) = coords(size(coords)) - coords(1) end subroutine !------------------------------------------------------------------------------------------------ !> @brief Interpret Base64 string in vtk XML file as integer of default kind !------------------------------------------------------------------------------------------------ function as_Int(base64_str,headerType,compressed,dataType) character(len=*), intent(in) :: base64_str, & ! base64 encoded string headerType, & ! header type (UInt32 or Uint64) dataType ! data type (Int32, Int64, Float32, Float64) logical, intent(in) :: compressed ! indicate whether data is zlib compressed integer, dimension(:), allocatable :: as_Int select case(dataType) case('Int32') as_Int = int(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed))) case('Int64') as_Int = int(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed))) case('Float32') as_Int = int(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed))) case('Float64') as_Int = int(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed))) case default call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType)) end select end function as_Int !------------------------------------------------------------------------------------------------ !> @brief Interpret Base64 string in vtk XML file as integer of pReal kind !------------------------------------------------------------------------------------------------ function as_pReal(base64_str,headerType,compressed,dataType) character(len=*), intent(in) :: base64_str, & ! base64 encoded string headerType, & ! header type (UInt32 or Uint64) dataType ! data type (Int32, Int64, Float32, Float64) logical, intent(in) :: compressed ! indicate whether data is zlib compressed real(pReal), dimension(:), allocatable :: as_pReal select case(dataType) case('Int32') as_pReal = real(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed)),pReal) case('Int64') as_pReal = real(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed)),pReal) case('Float32') as_pReal = real(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed)),pReal) case('Float64') as_pReal = real(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed)),pReal) case default call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType)) end select end function as_pReal !------------------------------------------------------------------------------------------------ !> @brief Interpret Base64 string in vtk XML file as bytes !------------------------------------------------------------------------------------------------ function asBytes(base64_str,headerType,compressed) result(bytes) character(len=*), intent(in) :: base64_str, & ! base64 encoded string headerType ! header type (UInt32 or Uint64) logical, intent(in) :: compressed ! indicate whether data is zlib compressed integer(C_SIGNED_CHAR), dimension(:), allocatable :: bytes if(compressed) then bytes = asBytes_compressed(base64_str,headerType) else bytes = asBytes_uncompressed(base64_str,headerType) endif end function asBytes !------------------------------------------------------------------------------------------------ !> @brief Interpret compressed Base64 string in vtk XML file as bytes !> @details A compressed Base64 string consists of a header block and a data block ! [#blocks/#u-size/#p-size/#c-size-1/#c-size-2/.../#c-size-#blocks][DATA-1/DATA-2...] ! #blocks = Number of blocks ! #u-size = Block size before compression ! #p-size = Size of last partial block (zero if it not needed) ! #c-size-i = Size in bytes of block i after compression !------------------------------------------------------------------------------------------------ function asBytes_compressed(base64_str,headerType) result(bytes) character(len=*), intent(in) :: base64_str, & ! base64 encoded string headerType ! header type (UInt32 or Uint64) integer(C_SIGNED_CHAR), dimension(:), allocatable :: bytes, bytes_inflated integer(pI64), dimension(:), allocatable :: temp, size_inflated, size_deflated integer(pI64) :: headerLen, nBlock, b,s,e if (headerType == 'UInt32') then temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64) nBlock = int(temp(1),pI64) headerLen = 4_pI64 * (3_pI64 + nBlock) temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64) elseif(headerType == 'UInt64') then temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64) nBlock = int(temp(1),pI64) headerLen = 8_pI64 * (3_pI64 + nBlock) temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64) endif allocate(size_inflated(nBlock),source=temp(2)) size_inflated(nBlock) = merge(temp(3),temp(2),temp(3)/=0_pI64) size_deflated = temp(4:) bytes_inflated = base64_to_bytes(base64_str(base64_nChar(headerLen)+1_pI64:)) allocate(bytes(sum(size_inflated))) e = 0_pI64 do b = 1, nBlock s = e + 1_pI64 e = s + size_deflated(b) - 1_pI64 bytes(sum(size_inflated(:b-1))+1_pI64:sum(size_inflated(:b))) = zlib_inflate(bytes_inflated(s:e),size_inflated(b)) enddo end function asBytes_compressed !------------------------------------------------------------------------------------------------ !> @brief Interprete uncompressed Base64 string in vtk XML file as bytes !> @details An uncompressed Base64 string consists of N headers blocks and a N data blocks ![#bytes-1/DATA-1][#bytes-2/DATA-2]... !------------------------------------------------------------------------------------------------ function asBytes_uncompressed(base64_str,headerType) result(bytes) character(len=*), intent(in) :: base64_str, & ! base64 encoded string headerType ! header type (UInt32 or Uint64) integer(pI64) :: s integer(pI64), dimension(1) :: nByte integer(C_SIGNED_CHAR), dimension(:), allocatable :: bytes allocate(bytes(0)) s=0_pI64 if (headerType == 'UInt32') then do while(s+base64_nChar(4_pI64)<(len(base64_str,pI64))) nByte = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64) bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64+nByte(1))),5_pI64)] s = s + base64_nChar(4_pI64+nByte(1)) enddo elseif(headerType == 'UInt64') then do while(s+base64_nChar(8_pI64)<(len(base64_str,pI64))) nByte = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64) bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64+nByte(1))),9_pI64)] s = s + base64_nChar(8_pI64+nByte(1)) enddo endif end function asBytes_uncompressed !------------------------------------------------------------------------------------------------ !> @brief Get XML string value for given key !------------------------------------------------------------------------------------------------ pure function getXMLValue(line,key) character(len=*), intent(in) :: line, key character(len=:), allocatable :: getXMLValue integer :: s,e #ifdef __INTEL_COMPILER character :: q #endif s = index(line," "//key,back=.true.) if(s==0) then getXMLValue = '' else e = s + 1 + scan(line(s+1:),"'"//'"') if(scan(line(s:e-2),'=') == 0) then getXMLValue = '' else s = e ! https://community.intel.com/t5/Intel-Fortran-Compiler/ICE-for-merge-with-strings/m-p/1207204#M151657 #ifdef __INTEL_COMPILER q = line(s-1:s-1) e = s + index(line(s:),q) - 1 #else e = s + index(line(s:),merge("'",'"',line(s-1:s-1)=="'")) - 1 #endif getXMLValue = line(s:e-1) endif endif end function !------------------------------------------------------------------------------------------------ !> @brief check for supported file format !------------------------------------------------------------------------------------------------ pure function fileFormatOk(line) character(len=*),intent(in) :: line logical :: fileFormatOk fileFormatOk = getXMLValue(line,'type') == 'RectilinearGrid' .and. & getXMLValue(line,'byte_order') == 'LittleEndian' .and. & getXMLValue(line,'compressor') /= 'vtkLZ4DataCompressor' .and. & getXMLValue(line,'compressor') /= 'vtkLZMADataCompressor' end function fileFormatOk end subroutine readVTR !--------------------------------------------------------------------------------------------------- !> @brief Calculate undeformed position of IPs/cell centers (pretend to be an element) !--------------------------------------------------------------------------------------------------- function IPcoordinates0(grid,geomSize,grid3Offset) 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)) :: ipCoordinates0 integer :: & a,b,c, & i i = 0 do c = 1, grid(3); do b = 1, grid(2); do a = 1, grid(1) i = i + 1 IPcoordinates0(1:3,i) = geomSize/real(grid,pReal) * (real([a,b,grid3Offset+c],pReal) -0.5_pReal) enddo; enddo; enddo end function IPcoordinates0 !--------------------------------------------------------------------------------------------------- !> @brief Calculate position of undeformed nodes (pretend to be an element) !--------------------------------------------------------------------------------------------------- pure function nodes0(grid,geomSize,grid3Offset) 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)) :: nodes0 integer :: & a,b,c, & n n = 0 do c = 0, grid3; do b = 0, grid(2); do a = 0, grid(1) n = n + 1 nodes0(1:3,n) = geomSize/real(grid,pReal) * real([a,b,grid3Offset+c],pReal) enddo; enddo; enddo end function nodes0 !-------------------------------------------------------------------------------------------------- !> @brief Calculate IP interface areas !-------------------------------------------------------------------------------------------------- pure function cellSurfaceArea(geomSize,grid) 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)) :: cellSurfaceArea cellSurfaceArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3)) cellSurfaceArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1)) cellSurfaceArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2)) end function cellSurfaceArea !-------------------------------------------------------------------------------------------------- !> @brief Calculate IP interface areas normals !-------------------------------------------------------------------------------------------------- pure function cellSurfaceNormal(nElems) integer, intent(in) :: nElems real(pReal), dimension(3,6,1,nElems) :: cellSurfaceNormal cellSurfaceNormal(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems) cellSurfaceNormal(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems) cellSurfaceNormal(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems) cellSurfaceNormal(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems) cellSurfaceNormal(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems) cellSurfaceNormal(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems) end function cellSurfaceNormal !-------------------------------------------------------------------------------------------------- !> @brief Build IP neighborhood relations !-------------------------------------------------------------------------------------------------- pure function IPneighborhood(grid) integer, dimension(3), intent(in) :: grid ! grid (for this process!) integer, dimension(3,6,1,product(grid)) :: IPneighborhood !< 6 neighboring IPs as [element ID, IP ID, face ID] 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 ! element ID 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 ! IP ID IPneighborhood(2,:,1,e) = 1 ! face ID 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 IPneighborhood end module discretization_grid