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DAMASK_EICMD
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polishing

This commit is contained in:
Martin Diehl 2019-06-08 11:15:01 +02:00
parent aeb57b2fb6
commit d6d5f4e66f
1 changed files with 174 additions and 182 deletions
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356
src/mesh_grid.f90
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@ -59,17 +59,16 @@ subroutine mesh_init(ip,el)
microstructureAt, &
homogenizationAt
logical :: myDebug
integer :: j
integer(C_INTPTR_T) :: &
devNull, z, z_offset
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
myDebug = iand(debug_level(debug_mesh),debug_levelBasic) /= 0
call mesh_spectral_read_grid(grid,geomSize,microstructureAt,homogenizationAt)
call readGeom(grid,geomSize,microstructureAt,homogenizationAt)
!--------------------------------------------------------------------------------------------------
! grid solver specific quantities
if(worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
call fftw_mpi_init
@ -86,33 +85,33 @@ subroutine mesh_init(ip,el)
myGrid = [grid(1:2),grid3]
mySize = [geomSize(1:2),size3]
!--------------------------------------------------------------------------------------------------
! general discretization
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(myGrid,mySize,grid3Offset)
if (myDebug) write(6,'(a)') ' Built IP coordinates'; flush(6)
call geometry_plastic_nonlocal_setIPvolume( &
reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))],[1,product(myGrid)]))
call geometry_plastic_nonlocal_setIParea(mesh_build_ipAreas(mySize,myGrid))
call geometry_plastic_nonlocal_setIPareaNormal(mesh_build_ipNormals(product(myGrid)))
call geometry_plastic_nonlocal_setIPneighborhood(mesh_spectral_build_ipNeighborhood(myGrid))
if (myDebug) write(6,'(a)') ' Built nonlocal geometry'; flush(6)
if (debug_e < 1 .or. debug_e > product(myGrid)) &
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
mesh_ipCoordinates = IPcoordinates(myGrid,mySize,grid3Offset)
call discretization_init(homogenizationAt,microstructureAt, &
reshape(mesh_ipCoordinates,[3,product(myGrid)]), &
Nodes(myGrid,mySize,grid3Offset))
FEsolving_execElem = [1,product(myGrid)] ! parallel loop bounds set to comprise all elements
allocate(FEsolving_execIP(2,product(myGrid)),source=1) ! parallel loop bounds set to comprise the only IP
call discretization_init(homogenizationAt,microstructureAt, &
reshape(mesh_ipCoordinates,[3,product(myGrid)]), &
mesh_spectral_build_nodes(myGrid,mySize,grid3Offset))
!--------------------------------------------------------------------------------------------------
! 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 (cellEdgeArea(mySize,myGrid))
call geometry_plastic_nonlocal_setIPareaNormal (cellEdgeNormal(product(myGrid)))
call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(myGrid))
!--------------------------------------------------------------------------------------------------
! sanity checks for debugging
if (debug_e < 1 .or. debug_e > product(myGrid)) call IO_error(602,ext_msg='element') ! selected element does not exist
if (debug_i /= 1) call IO_error(602,ext_msg='IP') ! selected IP does not exist
end subroutine mesh_init
@ -122,20 +121,20 @@ end subroutine mesh_init
!> @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)
subroutine readGeom(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
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)
character(len=:), allocatable :: rawData
character(len=65536) :: line
integer, allocatable, dimension(:) :: chunkPos
integer :: &
h =- 1, &
headerLength = -1, & !< length of header (in lines)
fileLength, & !< length of the geom file (in characters)
fileUnit, &
startPos, endPos, &
@ -146,15 +145,15 @@ subroutine mesh_spectral_read_grid(grid,geomSize,microstructure,homogenization)
e, & !< "element", i.e. spectral collocation point
i, j
grid = -1_pInt
grid = -1
geomSize = -1.0_pReal
!--------------------------------------------------------------------------------------------------
! read data as stream
! read raw 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))
if(myStat /= 0) call IO_error(100,ext_msg=trim(geometryFile))
allocate(character(len=fileLength)::rawData)
read(fileUnit) rawData
close(fileUnit)
@ -164,251 +163,244 @@ subroutine mesh_spectral_read_grid(grid,geomSize,microstructure,homogenization)
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')
call IO_error(error_ID=841, ext_msg='readGeom')
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
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 interprete header
l = 0
do while (l < headerLength .and. startPos < len(rawData))
endPos = startPos + index(rawData(startPos:),new_line('')) - 1_pInt
endPos = startPos + index(rawData(startPos:),new_line('')) - 1
if (endPos < startPos) endPos = len(rawData) ! end of file without new line
line = rawData(startPos:endPos)
startPos = endPos + 1_pInt
l = l + 1_pInt
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_pInt,.true.)) )
select case ( IO_lc(IO_StringValue(trim(line),chunkPos,1,.true.)) )
case ('grid')
if (chunkPos(1) > 6) then
do j = 2_pInt,6_pInt,2_pInt
do j = 2,6,2
select case (IO_lc(IO_stringValue(line,chunkPos,j)))
case('a')
grid(1) = IO_intValue(line,chunkPos,j+1_pInt)
grid(1) = IO_intValue(line,chunkPos,j+1)
case('b')
grid(2) = IO_intValue(line,chunkPos,j+1_pInt)
grid(2) = IO_intValue(line,chunkPos,j+1)
case('c')
grid(3) = IO_intValue(line,chunkPos,j+1_pInt)
grid(3) = IO_intValue(line,chunkPos,j+1)
end select
enddo
endif
case ('size')
if (chunkPos(1) > 6) then
do j = 2_pInt,6_pInt,2_pInt
do j = 2,6,2
select case (IO_lc(IO_stringValue(line,chunkPos,j)))
case('x')
geomSize(1) = IO_floatValue(line,chunkPos,j+1_pInt)
geomSize(1) = IO_floatValue(line,chunkPos,j+1)
case('y')
geomSize(2) = IO_floatValue(line,chunkPos,j+1_pInt)
geomSize(2) = IO_floatValue(line,chunkPos,j+1)
case('z')
geomSize(3) = IO_floatValue(line,chunkPos,j+1_pInt)
geomSize(3) = IO_floatValue(line,chunkPos,j+1)
end select
enddo
endif
case ('homogenization')
if (chunkPos(1) > 1) h = IO_intValue(line,chunkPos,2_pInt)
if (chunkPos(1) > 1) h = IO_intValue(line,chunkPos,2)
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(h < 1) &
call IO_error(error_ID = 842, ext_msg='homogenization (readGeom)')
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_pInt, ext_msg='size (mesh_spectral_read_grid)')
call IO_error(error_ID = 842, ext_msg='size (readGeom)')
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
e = 1
do while (startPos < len(rawData))
endPos = startPos + index(rawData(startPos:),new_line('')) - 1_pInt
endPos = startPos + index(rawData(startPos:),new_line('')) - 1
if (endPos < startPos) endPos = len(rawData) ! end of file without new line
line = rawData(startPos:endPos)
startPos = endPos + 1_pInt
l = l + 1_pInt
startPos = endPos + 1
l = l + 1
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)]
microstructure(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)
microstructure(e:e+c-1_pInt) = [(IO_intValue(line,chunkPos,3),i = 1_pInt,IO_intValue(line,chunkPos,1))]
microstructure(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_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)]
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))
microstructure(e:e+c-1) = [(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)]
microstructure(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_pInt, el=e)
if (e-1 /= product(grid)) call IO_error(error_ID = 843, el=e)
end subroutine mesh_spectral_read_grid
end subroutine readGeom
!---------------------------------------------------------------------------------------------------
!> @brief Calculates position of nodes (pretend to be an element)
!> @brief Calculate position of IPs/cell centres (pretend to be an element)
!---------------------------------------------------------------------------------------------------
pure function mesh_spectral_build_nodes(grid,geomSize,grid3Offset) result(nodes)
function IPcoordinates(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)) :: nodes
integer :: n,a,b,c
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
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
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
IPcoordinates(1:3,1,i) = geomSize/real(grid,pReal) * (real([a,b,grid3Offset+c],pReal) -0.5_pReal)
enddo; enddo; enddo
end function IPcoordinates
!---------------------------------------------------------------------------------------------------
!> @brief Calculate position of nodes (pretend to be an element)
!---------------------------------------------------------------------------------------------------
pure function nodes(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)) :: nodes
integer :: &
a,b,c, &
n
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
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_build_ipCoordinates
end function nodes
!--------------------------------------------------------------------------------------------------
!> @brief build neighborhood relations for spectral
!> @details assign globals: mesh_ipNeighborhood
!> @brief Calculate IP interface areas
!--------------------------------------------------------------------------------------------------
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)
pure function cellEdgeArea(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(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
real(pReal), dimension(6,1,product(grid)) :: cellEdgeArea
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))
cellEdgeArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
cellEdgeArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
cellEdgeArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
end function mesh_build_ipAreas
end function cellEdgeArea
!--------------------------------------------------------------------------------------------------
!> @brief calculation of IP interface areas normals
!> @brief Calculate IP interface areas normals
!--------------------------------------------------------------------------------------------------
pure function mesh_build_ipNormals(nElems) result(IPnormals)
pure function cellEdgeNormal(nElems)
integer, intent(in) :: nElems
real, dimension(3,6,1,nElems) :: IPnormals
real, dimension(3,6,1,nElems) :: cellEdgeNormal
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)
cellEdgeNormal(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
cellEdgeNormal(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
cellEdgeNormal(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems)
cellEdgeNormal(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems)
cellEdgeNormal(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems)
cellEdgeNormal(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems)
end function mesh_build_ipNormals
end function cellEdgeNormal
!--------------------------------------------------------------------------------------------------
!> @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 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 IPneighborhood
!--------------------------------------------------------------------------------------------------