DAMASK_EICMD/src/grid/discretization_grid.f90

800 lines
37 KiB
Fortran

!--------------------------------------------------------------------------------------------------
!> @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 <petsc/finclude/petscsys.h>
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
use FEsolving
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
integer :: &
j, &
debug_element, &
debug_ip
integer(C_INTPTR_T) :: &
devNull, z, z_offset
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
call readVTR(grid,geomSize,origin,materialAt)
print'(/,a,3(i12 ))', ' grid a b c: ', grid
print'(a,3(es12.5))', ' size x y z: ', geomSize
print'(a,3(es12.5))', ' origin x y z: ', origin
!--------------------------------------------------------------------------------------------------
! grid solver specific quantities
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]
!-------------------------------------------------------------------------------------------------
! debug parameters
debug_element = config_debug%get_asInt('element',defaultVal=1)
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
!--------------------------------------------------------------------------------------------------
! general discretization
materialAt = materialAt(product(grid(1:2))*grid3Offset+1:product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI
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))
FEsolving_execElem = [1,product(myGrid)] ! parallel loop bounds set to comprise all elements
FEsolving_execIP = [1,1] ! parallel loop bounds set to comprise the only IP
!--------------------------------------------------------------------------------------------------
! store geometry information for post processing
if(.not. restart) then
call results_openJobFile
call results_closeGroup(results_addGroup('geometry'))
call results_addAttribute('grid', 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))
!--------------------------------------------------------------------------------------------------
! sanity checks for debugging
if (debug_element < 1 .or. debug_element > product(myGrid)) call IO_error(602,ext_msg='element') ! selected element does not exist
if (debug_ip /= 1) call IO_error(602,ext_msg='IP') ! selected IP does not exist
end subroutine discretization_grid_init
!--------------------------------------------------------------------------------------------------
!> @brief Parses geometry file
!> @details important variables have an implicit "save" attribute. Therefore, this function is
! supposed to be called only once!
!--------------------------------------------------------------------------------------------------
subroutine readGeom(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 :: rawData
character(len=65536) :: line
integer, allocatable, dimension(:) :: chunkPos
integer :: &
headerLength = -1, & !< length of header (in lines)
fileLength, & !< length of the geom file (in characters)
fileUnit, &
startPos, endPos, &
myStat, &
l, & !< line counter
c, & !< counter for # materials in line
o, & !< order of "to" packing
e, & !< "element", i.e. spectral collocation point
i, j
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)::rawData)
read(fileUnit) rawData
close(fileUnit)
!--------------------------------------------------------------------------------------------------
! get header length
endPos = index(rawData,IO_EOL)
if(endPos <= index(rawData,'head')) then ! ToDo: Should be 'header'
startPos = len(rawData)
call IO_error(error_ID=841, ext_msg='readGeom')
else
chunkPos = IO_stringPos(rawData(1:endPos))
if (chunkPos(1) < 2) call IO_error(error_ID=841, ext_msg='readGeom')
headerLength = IO_intValue(rawData(1:endPos),chunkPos,1)
startPos = endPos + 1
endif
!--------------------------------------------------------------------------------------------------
! read and interpret header
origin = 0.0_pReal
l = 0
do while (l < headerLength .and. startPos < len(rawData))
endPos = startPos + index(rawData(startPos:),IO_EOL) - 1
if (endPos < startPos) endPos = len(rawData) ! end of file without new line
line = rawData(startPos:endPos)
startPos = endPos + 1
l = l + 1
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)) )
case ('grid')
if (chunkPos(1) > 6) then
do j = 2,6,2
select case (IO_lc(IO_stringValue(line,chunkPos,j)))
case('a')
grid(1) = IO_intValue(line,chunkPos,j+1)
case('b')
grid(2) = IO_intValue(line,chunkPos,j+1)
case('c')
grid(3) = IO_intValue(line,chunkPos,j+1)
end select
enddo
endif
case ('size')
if (chunkPos(1) > 6) then
do j = 2,6,2
select case (IO_lc(IO_stringValue(line,chunkPos,j)))
case('x')
geomSize(1) = IO_floatValue(line,chunkPos,j+1)
case('y')
geomSize(2) = IO_floatValue(line,chunkPos,j+1)
case('z')
geomSize(3) = IO_floatValue(line,chunkPos,j+1)
end select
enddo
endif
case ('origin')
if (chunkPos(1) > 6) then
do j = 2,6,2
select case (IO_lc(IO_stringValue(line,chunkPos,j)))
case('x')
origin(1) = IO_floatValue(line,chunkPos,j+1)
case('y')
origin(2) = IO_floatValue(line,chunkPos,j+1)
case('z')
origin(3) = IO_floatValue(line,chunkPos,j+1)
end select
enddo
endif
end select
enddo
!--------------------------------------------------------------------------------------------------
! sanity checks
if(any(grid < 1)) &
call IO_error(error_ID = 842, ext_msg='grid (readGeom)')
if(any(geomSize < 0.0_pReal)) &
call IO_error(error_ID = 842, ext_msg='size (readGeom)')
allocate(material(product(grid)), source = -1) ! too large in case of MPI (shrink later, not very elegant)
!--------------------------------------------------------------------------------------------------
! read and interpret content
e = 1
do while (startPos < len(rawData))
endPos = startPos + index(rawData(startPos:),IO_EOL) - 1
if (endPos < startPos) endPos = len(rawData) ! end of file without new line
line = rawData(startPos:endPos)
startPos = endPos + 1
l = l + 1
chunkPos = IO_stringPos(trim(line))
noCompression: if (chunkPos(1) /= 3) then
c = chunkPos(1)
material(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
else noCompression
compression: if (IO_lc(IO_stringValue(line,chunkPos,2)) == 'of') then
c = IO_intValue(line,chunkPos,1)
material(e:e+c-1) = [(IO_intValue(line,chunkPos,3),i = 1,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
o = merge(+1, -1, IO_intValue(line,chunkPos,3) > IO_intValue(line,chunkPos,1))
material(e:e+c-1) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)]
else compression
c = chunkPos(1)
material(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
endif compression
endif noCompression
e = e+c
end do
if (e-1 /= product(grid)) call IO_error(error_ID = 843, el=e)
end subroutine readGeom
!--------------------------------------------------------------------------------------------------
!> @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),'<VTKFile',kind=pI64) /= 0_pI64) then
inFile = .true.
if(.not. fileFormatOk(fileContent(startPos:endPos))) call IO_error(error_ID = 844, ext_msg='file format')
headerType = merge('UInt64','UInt32',getXMLValue(fileContent(startPos:endPos),'header_type')=='UInt64')
compressed = getXMLValue(fileContent(startPos:endPos),'compressor') == 'vtkZLibDataCompressor'
endif
else
if(.not. inGrid) then
if(index(fileContent(startPos:endPos),'<RectilinearGrid',kind=pI64) /= 0_pI64) inGrid = .true.
else
if(index(fileContent(startPos:endPos),'<CellData>',kind=pI64) /= 0_pI64) then
gotCellData = .true.
do while (index(fileContent(startPos:endPos),'</CellData>',kind=pI64) == 0_pI64)
if(index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64 .and. &
getXMLValue(fileContent(startPos:endPos),'Name') == 'material' ) then
if(getXMLValue(fileContent(startPos:endPos),'format') /= 'binary') &
call IO_error(error_ID = 844, ext_msg='format (materialpoint)')
dataType = getXMLValue(fileContent(startPos:endPos),'type')
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
s = startPos + verify(fileContent(startPos:endPos),IO_WHITESPACE,kind=pI64) -1_pI64 ! start (no leading whitespace)
material = as_Int(fileContent(s:endPos),headerType,compressed,dataType)
exit
endif
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
enddo
elseif(index(fileContent(startPos:endPos),'<Coordinates>',kind=pI64) /= 0_pI64) then
gotCoordinates = .true.
startPos = endPos + 2_pI64
coord = 0
do while (startPos<fileLength)
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
if(index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64) then
if(getXMLValue(fileContent(startPos:endPos),'format') /= 'binary') &
call IO_error(error_ID = 844, ext_msg='format (coordinates)')
dataType = getXMLValue(fileContent(startPos:endPos),'type')
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
s = startPos + verify(fileContent(startPos:endPos),IO_WHITESPACE,kind=pI64) -1_pI64 ! start (no leading whitespace)
coord = coord + 1
call gridSizeOrigin(fileContent(s:endPos),headerType,compressed,dataType,coord)
endif
if(index(fileContent(startPos:endPos),'</Coordinates>',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(0))
e = 0_pI64
do b = 1, nBlock
s = e + 1_pI64
e = s + size_deflated(b) - 1_pI64
bytes = [bytes,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