DAMASK_EICMD/src/mesh_grid.f90

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!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Sets up the mesh for the solvers MSC.Marc, Abaqus and the spectral solver
!--------------------------------------------------------------------------------------------------
module mesh
#include <petsc/finclude/petscsys.h>
use, intrinsic :: iso_c_binding
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use prec
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use debug
use discretization
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use geometry_plastic_nonlocal
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use mesh_base
use DAMASK_interface
use PETScsys
use IO
use debug
use numerics
use FEsolving
implicit none
private
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integer(pInt) :: &
mesh_Nnodes
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integer(pInt), dimension(:), allocatable :: &
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microGlobal
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integer(pInt), dimension(:), allocatable :: &
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mesh_homogenizationAt
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integer(pInt), dimension(:,:), allocatable :: &
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mesh_element !< entryCount and list of elements containing node
real(pReal), public, protected :: &
mesh_unitlength !< physical length of one unit in mesh
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real(pReal), dimension(:,:), allocatable :: &
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mesh_node !< node x,y,z coordinates (after deformation! ONLY FOR MARC!!!)
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real(pReal), dimension(:,:), allocatable :: &
mesh_node0 !< node x,y,z coordinates (initially!)
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
mesh_ipArea !< area of interface to neighboring IP (initially!)
real(pReal), dimension(:,:,:), allocatable, public :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
real(pReal),dimension(:,:,:,:), allocatable, public, protected :: &
mesh_ipAreaNormal !< area normal of interface to neighboring IP (initially!)
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logical, dimension(3), public, parameter :: mesh_periodicSurface = .true. !< flag indicating periodic outer surfaces (used for fluxes)
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integer(pInt) :: &
mesh_NcpElemsGlobal !< total number of CP elements in global mesh
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! grid specific
integer(pInt), dimension(3), public, protected :: &
grid !< (global) grid
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integer(pInt), public, protected :: & !< total number of CP elements in global mesh
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 :: &
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mesh_init
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type(tMesh), public, protected :: theMesh
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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)
include 'fftw3-mpi.f03'
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integer(pInt), intent(in), optional :: el, ip
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integer(C_INTPTR_T) :: devNull, local_K, local_K_offset
integer :: ierr, worldsize, j
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real(pReal), dimension(:,:), allocatable :: IPvolume
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logical :: myDebug
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write(6,'(/,a)') ' <<<+- mesh init -+>>>'
mesh_unitlength = numerics_unitlength ! set physical extent of a length unit in mesh
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myDebug = (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt)
call fftw_mpi_init()
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call mesh_spectral_read_grid()
call MPI_comm_size(PETSC_COMM_WORLD, worldsize, ierr)
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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)')
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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,pInt)
grid3Offset = int(local_K_offset,pInt)
size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal)
size3Offset = geomSize(3)*real(grid3Offset,pReal)/real(grid(3),pReal)
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mesh_NcpElemsGlobal = product(grid)
mesh_Nnodes = product(grid(1:2) + 1_pInt)*(grid3 + 1_pInt)
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mesh_node0 = mesh_spectral_build_nodes()
mesh_node = mesh_node0
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if (myDebug) write(6,'(a)') ' Built nodes'; flush(6)
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call theMesh%init('grid',10,mesh_node)
call theMesh%setNelems(grid(1)*grid(2)*grid3)
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call mesh_spectral_build_elements()
mesh_homogenizationAt = mesh_homogenizationAt(product(grid(1:2))*grid3Offset+1: &
product(grid(1:2))*(grid3Offset+grid3)) ! reallocate/shrink in case of MPI
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if (myDebug) write(6,'(a)') ' Built elements'; flush(6)
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mesh_ipCoordinates = mesh_build_ipCoordinates()
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if (myDebug) write(6,'(a)') ' Built IP coordinates'; flush(6)
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allocate(IPvolume(1,theMesh%nElems),source=product([geomSize(1:2),size3]/real([grid(1:2),grid3])))
call geometry_plastic_nonlocal_set_IPvolume(IPvolume)
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if (myDebug) write(6,'(a)') ' Built IP volumes'; flush(6)
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mesh_ipArea = mesh_build_ipAreas([geomSize(1:2),size3],[grid(1:2),grid3])
mesh_ipAreaNormal = mesh_build_ipNormals(grid(1)*grid(2)*grid3)
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if (myDebug) write(6,'(a)') ' Built IP areas'; flush(6)
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call geometry_plastic_nonlocal_set_IPneighborhood(mesh_spectral_build_ipNeighborhood([grid(1:2),grid3]))
if (myDebug) write(6,'(a)') ' Built IP neighborhood'; flush(6)
if (debug_e < 1 .or. debug_e > theMesh%nElems) &
call IO_error(602_pInt,ext_msg='element') ! selected element does not exist
if (debug_i < 1 .or. debug_i > theMesh%elem%nIPs) &
call IO_error(602_pInt,ext_msg='IP') ! selected element does not have requested IP
FEsolving_execElem = [ 1_pInt,theMesh%nElems ] ! parallel loop bounds set to comprise all DAMASK elements
allocate(FEsolving_execIP(2_pInt,theMesh%nElems), source=1_pInt) ! parallel loop bounds set to comprise from first IP...
forall (j = 1_pInt:theMesh%nElems) FEsolving_execIP(2,j) = theMesh%elem%nIPs ! ...up to own IP count for each element
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!!!! COMPATIBILITY HACK !!!!
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theMesh%homogenizationAt = mesh_element(3,:)
theMesh%microstructureAt = mesh_element(4,:)
!!!!!!!!!!!!!!!!!!!!!!!!
call discretization_init(mesh_element(3,:),mesh_element(4,:),&
reshape(mesh_ipCoordinates,[3,grid(1)*grid(2)*grid3]),&
mesh_node0)
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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()
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(microGlobal(product(grid)), source = -1_pInt)
allocate(mesh_homogenizationAt(product(grid)), source = h) ! too large in case of MPI (shrink later, not very elegant)
!--------------------------------------------------------------------------------------------------
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! 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)
microGlobal(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)
microGlobal(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))
microGlobal(e:e+c-1_pInt) = [(i, i = IO_intValue(line,chunkPos,1),IO_intValue(line,chunkPos,3),o)]
else compression
c = chunkPos(1)
microGlobal(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
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!---------------------------------------------------------------------------------------------------
!> @brief Calculates position of nodes (pretend to be an element)
!---------------------------------------------------------------------------------------------------
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pure function mesh_spectral_build_nodes()
real(pReal), dimension(3,mesh_Nnodes) :: mesh_spectral_build_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
mesh_spectral_build_nodes(1:3,n) = geomSize/real(grid,pReal) * real([a,b,grid3Offset+c],pReal)
enddo
enddo
enddo
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end function mesh_spectral_build_nodes
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!---------------------------------------------------------------------------------------------------
!> @brief Calculates position of IPs/cell centres (pretend to be an element)
!---------------------------------------------------------------------------------------------------
function mesh_build_ipCoordinates()
real(pReal), dimension(3,1,theMesh%nElems) :: mesh_build_ipCoordinates
integer :: n,a,b,c
n = 0
do c = 1, grid3
do b = 1, grid(2)
do a = 1, grid(1)
n = n + 1
mesh_build_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 Store FEid, type, material, texture, and node list per element.
!! Allocates global array 'mesh_element'
!--------------------------------------------------------------------------------------------------
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subroutine mesh_spectral_build_elements()
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integer(pInt) :: &
e, &
elemOffset
allocate(mesh_element (4_pInt+8_pInt,theMesh%nElems), source = 0_pInt)
elemOffset = product(grid(1:2))*grid3Offset
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do e=1, theMesh%nElems
mesh_element( 1,e) = -1_pInt ! DEPRECATED
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mesh_element( 2,e) = -1_pInt ! DEPRECATED
mesh_element( 3,e) = mesh_homogenizationAt(e)
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mesh_element( 4,e) = microGlobal(e+elemOffset) ! microstructure
mesh_element( 5,e) = e + (e-1_pInt)/grid(1) + &
((e-1_pInt)/(grid(1)*grid(2)))*(grid(1)+1_pInt) ! base node
mesh_element( 6,e) = mesh_element(5,e) + 1_pInt
mesh_element( 7,e) = mesh_element(5,e) + grid(1) + 2_pInt
mesh_element( 8,e) = mesh_element(5,e) + grid(1) + 1_pInt
mesh_element( 9,e) = mesh_element(5,e) +(grid(1) + 1_pInt) * (grid(2) + 1_pInt) ! second floor base node
mesh_element(10,e) = mesh_element(9,e) + 1_pInt
mesh_element(11,e) = mesh_element(9,e) + grid(1) + 2_pInt
mesh_element(12,e) = mesh_element(9,e) + grid(1) + 1_pInt
enddo
end subroutine mesh_spectral_build_elements
!--------------------------------------------------------------------------------------------------
!> @brief build neighborhood relations for spectral
!> @details assign globals: mesh_ipNeighborhood
!--------------------------------------------------------------------------------------------------
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pure function mesh_spectral_build_ipNeighborhood(grid) result(IPneighborhood)
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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]
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integer :: &
x,y,z, &
e
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e = 0
do z = 0,grid3-1
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) &
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+ modulo(x+1,grid(1)) &
+ 1
IPneighborhood(1,2,1,e) = z * grid(1) * grid(2) &
+ y * grid(1) &
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+ modulo(x-1,grid(1)) &
+ 1
IPneighborhood(1,3,1,e) = z * grid(1) * grid(2) &
+ modulo(y+1,grid(2)) * grid(1) &
+ x &
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+ 1
IPneighborhood(1,4,1,e) = z * grid(1) * grid(2) &
+ modulo(y-1,grid(2)) * grid(1) &
+ x &
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+ 1
IPneighborhood(1,5,1,e) = modulo(z+1,grid3) * grid(1) * grid(2) &
+ y * grid(1) &
+ x &
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+ 1
IPneighborhood(1,6,1,e) = modulo(z-1,grid3) * grid(1) * grid(2) &
+ y * grid(1) &
+ x &
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+ 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
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end function mesh_spectral_build_ipNeighborhood
!--------------------------------------------------------------------------------------------------
!> @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) = &
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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
!--------------------------------------------------------------------------------------------------
!> @brief calculation of IP interface areas, allocate globals '_ipArea', and '_ipAreaNormal'
!--------------------------------------------------------------------------------------------------
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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
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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, allocate globals '_ipArea', and '_ipAreaNormal'
!--------------------------------------------------------------------------------------------------
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pure function mesh_build_ipNormals(nElems) result(IPnormals)
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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)
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end function mesh_build_ipNormals
end module mesh