regridding is now working, changed the subroutine into a function
changed order of arrays in nearest neighbor search to make it fortran fast constitutive.f90 and homogenization.f90 write state size out during initialization setup/setup_processing.py is using byterecl to be compatible with binary files written out by solver
This commit is contained in:
Krishna Komerla
parent
a9a72cee97
commit
c752dd5474
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@ -29,6 +29,7 @@
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MODULE constitutive
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use prec, only: pInt, p_vec
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use IO, only: IO_write_jobBinaryFile
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implicit none
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type(p_vec), dimension(:,:,:), allocatable :: &
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@ -356,6 +357,13 @@ endif
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enddo
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!$OMP END PARALLEL DO
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!----- write out state size file----------------
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open(777)
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call IO_write_jobBinaryFile(777,'sizeStateConst', size(constitutive_sizeState))
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write (777,rec=1) constitutive_sizeState
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close(777)
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!-----------------------------------------------
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constitutive_maxSizeState = maxval(constitutive_sizeState)
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constitutive_maxSizeDotState = maxval(constitutive_sizeDotState)
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constitutive_maxSizePostResults = maxval(constitutive_sizePostResults)
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@ -167,8 +167,8 @@ python module core ! in
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real*8, dimension(3), intent(in) :: geomdim
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integer, intent(in) :: queryPoints
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integer, intent(in) :: domainPoints
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real*8, dimension(queryPoints,spatialDim), intent(in), depend(queryPoints,spatialDim) :: querySet
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real*8, dimension(domainPoints,spatialDim), intent(in), depend(domainPoints,spatialDim) :: domainSet
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real*8, dimension(spatialDim,queryPoints), intent(in), depend(queryPoints,spatialDim) :: querySet
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real*8, dimension(spatialDim,domainPoints), intent(in), depend(domainPoints,spatialDim) :: domainSet
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! output variable
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integer, dimension(queryPoints), intent(out), depend(queryPoints) :: indices
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! depending on input
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@ -178,9 +178,10 @@ python module core ! in
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module mesh ! in :mesh:mesh.f90
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subroutine mesh_regrid(resNew) ! in :mesh:mesh.f90
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integer, dimension(3), intent(in,out), optional :: resNew
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end subroutine mesh_regrid
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function mesh_regrid(resNewInput) ! in :mesh:mesh.f90
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integer, dimension(3) :: mesh_regrid
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integer, dimension(3), intent(in), optional :: resNewInput
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end function mesh_regrid
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end module mesh
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@ -34,6 +34,7 @@ MODULE homogenization
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!*** Include other modules ***
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use prec, only: pInt,pReal,p_vec
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use IO, only: IO_write_jobBinaryFile
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implicit none
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! ****************************************************************
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@ -161,7 +162,7 @@ forall (i = 1:mesh_maxNips,e = 1:mesh_NcpElems)
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end forall
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! --- ALLOCATE AND INITIALIZE GLOBAL STATE AND POSTRESULTS VARIABLES ---
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! --- ALLOCATE AND INITIALIZE GLOBAL STATE AND POSTRESULTS VARIABLES ----------
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!$OMP PARALLEL DO PRIVATE(myInstance)
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do e = 1,mesh_NcpElems ! loop over elements
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@ -192,6 +193,14 @@ end forall
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enddo
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enddo
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!$OMP END PARALLEL DO
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!---write state size file out---------------------------------------
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open(777)
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call IO_write_jobBinaryFile(777,'sizeStateHomog',size(homogenization_sizeState))
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write (777,rec=1) homogenization_sizeState
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close(777)
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!--------------------------------------------------------------
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homogenization_maxSizeState = maxval(homogenization_sizeState)
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homogenization_maxSizePostResults = maxval(homogenization_sizePostResults)
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materialpoint_sizeResults = 1 & ! grain count
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@ -3832,19 +3832,19 @@ subroutine math_nearestNeighborSearch(spatialDim, Favg, geomdim, queryPoints, do
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real(pReal), dimension(3), intent(in) :: geomdim
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integer(pInt), intent(in) :: domainPoints
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integer(pInt), intent(in) :: queryPoints
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real(pReal), dimension(queryPoints,spatialDim), intent(in) :: querySet
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real(pReal), dimension(domainPoints,spatialDim), intent(in) :: domainSet
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real(pReal), dimension(spatialDim,queryPoints), intent(in) :: querySet
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real(pReal), dimension(spatialDim,domainPoints), intent(in) :: domainSet
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! output variable
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integer(pInt), dimension(queryPoints), intent(out) :: indices
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! other variables depending on input
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real(pReal), dimension(3,(3_pInt**spatialDim)*domainPoints) :: domainSetLarge
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real(pReal), dimension(spatialDim,(3_pInt**spatialDim)*domainPoints) :: domainSetLarge
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! other variables
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integer(pInt) :: i,j, l,m,n
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type(kdtree2), pointer :: tree
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type(kdtree2_result), dimension(1) :: Results
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if (size(querySet(1,:)) /= spatialDim) call IO_error(407_pInt,ext_msg='query set')
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if (size(domainSet(1,:)) /= spatialDim) call IO_error(407_pInt,ext_msg='domain set')
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if (size(querySet(:,1)) /= spatialDim) call IO_error(407_pInt,ext_msg='query set')
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if (size(domainSet(:,1)) /= spatialDim) call IO_error(407_pInt,ext_msg='domain set')
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i = 0_pInt
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@ -3852,14 +3852,14 @@ subroutine math_nearestNeighborSearch(spatialDim, Favg, geomdim, queryPoints, do
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do j = 1_pInt, domainPoints
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do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt
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i = i + 1_pInt
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domainSetLarge(1:3,i) = domainSet(j,1:3) + math_mul33x3(Favg,real([l,m,0_pInt],pReal)*geomdim)
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domainSetLarge(1:2,i) = domainSet(1:2,j) +matmul(Favg(1:2,1:2),real([l,m],pReal)*geomdim(1:2))
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enddo; enddo
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enddo
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else
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do j = 1_pInt, domainPoints
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do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt; do n = -1_pInt, 1_pInt
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i = i + 1_pInt
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domainSetLarge(1:3,i) = domainSet(j,1:3) + math_mul33x3(Favg,real([l,m,n],pReal)*geomdim)
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domainSetLarge(1:3,i) = domainSet(1:3,j) + math_mul33x3(Favg,real([l,m,n],pReal)*geomdim)
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enddo; enddo; enddo
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enddo
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endif
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@ -3867,7 +3867,7 @@ subroutine math_nearestNeighborSearch(spatialDim, Favg, geomdim, queryPoints, do
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tree => kdtree2_create(domainSetLarge,sort=.true.,rearrange=.true.)
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do j = 1_pInt, queryPoints
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call kdtree2_n_nearest(tp=tree, qv=querySet(j,1:spatialDim),nn=1_pInt, results = Results)
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call kdtree2_n_nearest(tp=tree, qv=querySet(1:spatialDim,j),nn=1_pInt, results = Results)
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indices(j) = Results(1)%idx
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enddo
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216
code/mesh.f90
216
code/mesh.f90
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@ -3528,7 +3528,7 @@ end subroutine mesh_tell_statistics
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subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automatic determination of new grid
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function mesh_regrid(resNewInput) !use new_res=[0.0,0.0,0.0] for automatic determination of new grid
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use prec, only: &
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pInt, &
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pReal
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@ -3542,73 +3542,112 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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deformed_FFT, &
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math_mul33x3
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integer(pInt), dimension(3), optional, intent(inout) :: resNew
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integer(pInt):: maxsize, i, j, k, ielem, Npoints, NpointsNew
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integer(pInt), dimension(3) :: res
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integer(pInt), dimension(:), allocatable :: indices, outputSize
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real(pReal), dimension(3) :: geomdim = 0.0_pReal
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integer(pInt), dimension(3) :: mesh_regrid
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integer(pInt), dimension(3), optional, intent(in) :: resNewInput
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integer(pInt):: maxsize, i, j, k, ielem, Npoints, NpointsNew, spatialDim
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integer(pInt), dimension(3) :: res, resNew
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integer(pInt), dimension(:), allocatable :: indices
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real(pReal), dimension(3) :: geomdim
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real(pReal), dimension(3,3) :: Favg
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real(pReal), dimension(:,:), allocatable :: &
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coordinatesNew
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coordinatesNew, &
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coordinatesLinear
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real(pReal), dimension(:,:,:), allocatable :: &
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material_phase, material_phaseNew
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real(pReal), dimension(:,:,:,:,:), allocatable :: &
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F, FNew, &
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Fp, FpNew, &
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Lp, LpNew, &
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dcsdE, dcsdENew
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real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: &
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dPdF, dPdFNew
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real(pReal), dimension (:,:,:,:), allocatable :: &
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coordinates, &
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Tstar, TstarNew, &
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stateConst, stateConstNew, &
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stateHomog, stateHomogNew
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integer(pInt), dimension (:,:), allocatable :: SizeConst
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stateHomog, &
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stateConst
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integer(pInt), dimension(:,:), allocatable :: &
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sizeStateConst, sizeStateHomog
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res = mesh_spectral_getResolution()
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geomdim = mesh_spectral_getDimension()
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if (.not. present(resNew)) then
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resNew=res
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endif
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Npoints = res(1)*res(2)*res(3)
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NpointsNew = resNew(1)*resNew(2)*resNew(3)
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print*, 'resolution ', res
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print*, 'new resolution', resNew
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allocate(coordinates(res(1),res(2),res(3),3))
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allocate(coordinatesNew(resNew(1)*resNew(2)*resNew(3),3))
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allocate(indices(Npoints))
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allocate(F(res(1),res(2),res(3),3,3))
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call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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! ----Calculate average deformation for remesh--------
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! ----Calculate deformed configuration and average--------
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do i= 1_pInt,3_pInt; do j = 1_pInt,3_pInt
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Favg(i,j) = sum(F(1:res(1),1:res(2),1:res(3),i,j)) / Npoints
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enddo; enddo
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allocate(coordinates(res(1),res(2),res(3),3))
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call deformed_fft(res,geomdim,Favg,1.0_pReal,F,coordinates)
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deallocate(F)
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! ----Store coordinates into a linear list--------
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allocate(coordinatesLinear(3,Npoints))
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ielem = 0_pInt
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do k=1_pInt,res(3); do j=1_pInt, res(2); do i=1_pInt, res(1)
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ielem = ielem + 1_pInt
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coordinatesLinear(1:3,ielem) = coordinates(i,j,k,1:3)
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enddo; enddo; enddo
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deallocate(coordinates)
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! ----For 2D /3D case----------------------------------
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if (res(3)== 1_pInt) then
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spatialDim = 2_pInt
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else
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spatialDim = 3_pInt
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endif
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! ----determine/calculate new resolution--------------
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if (.not. present(resNewInput)) then
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resNew=res
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elseif(all(resNewInput==0.0_pReal)) then
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!do automatic determination
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else
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resNew=resNewInput
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endif
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NpointsNew = resNew(1)*resNew(2)*resNew(3)
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! ----Calculate regular new coordinates------------
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allocate(coordinatesNew(3,NpointsNew))
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ielem = 0_pInt
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do k=1_pInt,resNew(3); do j=1_pInt, resNew(2); do i=1_pInt, resNew(1)
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ielem = ielem + 1_pInt
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coordinatesNew(ielem,1:3) = math_mul33x3(Favg, geomdim/real(resNew,pReal)*real([i,j,k],pReal) &
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coordinatesNew(1:3,ielem) = math_mul33x3(Favg, geomdim/real(resNew,pReal)*real([i,j,k],pReal) &
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- geomdim/real(2_pInt*resNew,pReal))
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enddo; enddo; enddo
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!----- Nearest neighbour search -----------------------
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call math_nearestNeighborSearch(res, Favg, geomdim, NpointsNew, &
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coordinates, coordinatesNew, indices)
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indices = indices /3_pInt**3_pInt +1_pInt ! adjust it for 2D case
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deallocate(F)
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deallocate(coordinates)
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allocate(indices(Npoints))
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call math_nearestNeighborSearch(spatialDim, Favg, geomdim, NpointsNew, Npoints, &
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coordinatesNew, coordinatesLinear, indices)
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deallocate(coordinatesNew)
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indices = indices / 3_pInt**spatialDim +1_pInt
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!---------------------------------------------------------------------------
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allocate(material_phase (1,1, Npoints))
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allocate(material_phaseNew (1,1, NpointsNew))
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call IO_read_jobBinaryFile(777,'recordedPhase',trim(getSolverJobName()),size(material_phase))
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read (777,rec=1) material_phase
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close (777)
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do i = 1, NpointsNew
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material_phaseNew(1,1,i) = material_phase(1,1,indices(i))
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enddo
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call IO_write_jobBinaryFile(777,'recordedPhase',size(material_phaseNew))
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write (777,rec=1) material_phaseNew
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close (777)
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deallocate(material_phase)
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deallocate(material_phaseNew)
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!---------------------------------------------------------------------------
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allocate(F (3,3,1,1, Npoints))
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@ -3616,12 +3655,9 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergedF',trim(getSolverJobName()),size(F))
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read (777,rec=1) F
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close (777)
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call flush(6)
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do i = 1, NpointsNew
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FNew(1:3,1:3,1,1,i) = F(1:3,1:3,1,1,indices(i))
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enddo
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call flush(6)
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call IO_write_jobBinaryFile(777,'convergedF',size(FNew))
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write (777,rec=1) FNew
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@ -3635,7 +3671,6 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergedFp',trim(getSolverJobName()),size(Fp))
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read (777,rec=1) Fp
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close (777)
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do i = 1, NpointsNew
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FpNew(1:3,1:3,1,1,i) = Fp(1:3,1:3,1,1,indices(i))
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enddo
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@ -3652,11 +3687,9 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergedLp',trim(getSolverJobName()),size(Lp))
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read (777,rec=1) Lp
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close (777)
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do i = 1, NpointsNew
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LpNew(1:3,1:3,1,1,i) = Lp(1:3,1:3,1,1,indices(i))
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enddo
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call IO_write_jobBinaryFile(777,'convergedLp',size(LpNew))
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write (777,rec=1) LpNew
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close (777)
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@ -3669,11 +3702,9 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergeddcsdE',trim(getSolverJobName()),size(dcsdE))
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read (777,rec=1) dcsdE
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close (777)
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do i = 1, NpointsNew
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dcsdENew(1:6,1:6,1,1,i) = dcsdE(1:6,1:6,1,1,indices(i))
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enddo
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call IO_write_jobBinaryFile(777,'convergeddcsdE',size(dcsdENew))
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write (777,rec=1) dcsdENew
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close (777)
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@ -3686,11 +3717,9 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergeddPdF',trim(getSolverJobName()),size(dPdF))
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read (777,rec=1) dPdF
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close (777)
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do i = 1, NpointsNew
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dPdFNew(1:3,1:3,1:3,1:3,1,1,i) = dPdF(1:3,1:3,1:3,1:3,1,1,indices(i))
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enddo
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call IO_write_jobBinaryFile(777,'convergeddPdF',size(dPdFNew))
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write (777,rec=1) dPdFNew
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close (777)
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@ -3703,61 +3732,80 @@ subroutine mesh_regrid(resNew) !use new_res=[0.0,0.0,0.0] for automati
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call IO_read_jobBinaryFile(777,'convergedTstar',trim(getSolverJobName()),size(Tstar))
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read (777,rec=1) Tstar
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close (777)
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do i = 1, NpointsNew
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TstarNew(1:6,1,1,i) = Tstar(1:6,1,1,indices(i))
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enddo
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call IO_write_jobBinaryFile(777,'convergedTstar',size(TstarNew))
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write (777,rec=1) TstarNew
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close (777)
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deallocate(Tstar)
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deallocate(TstarNew)
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!----------------------------------------------------------------------------
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!for homog and state const
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! allocate(SizeConst (1,Npoints))
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! allocate(StateConst (1,Npoints))
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! allocate(StateConstNew (1,Npoints))
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! call IO_read_jobBinaryFile(777,'SizeConst',trim(getSolverJobName()))
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! read (777,rec=1) SizeConst
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! close(777)
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! maxsize = maxval(SizeConst)
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! call IO_read_jobBinaryFile(777,'convergedStateConst',trim(getSolverJobName()))
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! do i =1, Npoints
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! do l = 1,SizeConst(1,i)
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! read(777,rec=i) StateConst(1,1,i,l)
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! enddo
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! enddo
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! close(777)
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allocate(sizeStateConst(1,Npoints))
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call IO_read_jobBinaryFile(777,'sizeStateConst',trim(getSolverJobName()),size(sizeStateConst))
|
||||
read (777,rec=1) sizeStateConst
|
||||
close (777)
|
||||
maxsize = maxval(sizeStateConst)
|
||||
allocate(StateConst (1,1,Npoints,maxsize))
|
||||
|
||||
! do i = 1, NpointsNew
|
||||
! do l = 1,SizeConst(1,i)
|
||||
! StateConstNew(1,1,i,l) = StateConst(1,1,indices(i),l)
|
||||
! enddo
|
||||
! enddo
|
||||
call IO_read_jobBinaryFile(777,'convergedStateConst',trim(getSolverJobName()))
|
||||
k = 0_pInt
|
||||
do i =1, Npoints
|
||||
do j = 1,sizeStateConst(1,i)
|
||||
k = k+1_pInt
|
||||
read(777,rec=k) StateConst(1,1,i,j)
|
||||
enddo
|
||||
enddo
|
||||
close(777)
|
||||
|
||||
call IO_write_jobBinaryFile(777,'convergedStateConst')
|
||||
k = 0_pInt
|
||||
do i = 1,NpointsNew
|
||||
do j = 1,sizeStateConst(1,i)
|
||||
k=k+1_pInt
|
||||
write(777,rec=k) StateConst(1,1,indices(i),j)
|
||||
enddo
|
||||
enddo
|
||||
close (777)
|
||||
deallocate(sizeStateConst)
|
||||
deallocate(StateConst)
|
||||
|
||||
! call IO_write_jobBinaryFile(777,'convergedStateConst',trim(getSolverJobName()))
|
||||
! m = 0_pInt
|
||||
! do i = 1,NpointsNew
|
||||
! do l = 1,SizeConst(1,i)
|
||||
! write(777,rec=m) StateConstNew(1,1,i,l)
|
||||
! enddo
|
||||
! enddo
|
||||
! close (777)
|
||||
!----------------------------------------------------------------------------
|
||||
! State homog
|
||||
! call IO_read_jobBinaryFile(777,'convergedStateHomog',FEmodelGeometry)
|
||||
! m = 0_pInt
|
||||
! do k = 1,Npoints;
|
||||
! do l = 1,homogenization_sizeState(j,k)
|
||||
! m = m+1_pInt
|
||||
! read(777,rec=m) stateHomog(1,k)%p(l)
|
||||
! enddo
|
||||
! enddo; enddo
|
||||
! close (777)
|
||||
allocate(sizeStateHomog(1,Npoints))
|
||||
call IO_read_jobBinaryFile(777,'sizeStateHomog',trim(getSolverJobName()),size(sizeStateHomog))
|
||||
read (777,rec=1) sizeStateHomog
|
||||
close (777)
|
||||
maxsize = maxval(sizeStateHomog)
|
||||
allocate(stateHomog (1,1,Npoints,maxsize))
|
||||
|
||||
call IO_read_jobBinaryFile(777,'convergedStateHomog',trim(getSolverJobName()))
|
||||
k = 0_pInt
|
||||
do i =1, Npoints
|
||||
do j = 1,sizeStateHomog(1,i)
|
||||
k = k+1_pInt
|
||||
read(777,rec=k) stateHomog(1,1,i,j)
|
||||
enddo
|
||||
enddo
|
||||
close(777)
|
||||
|
||||
call IO_write_jobBinaryFile(777,'convergedStateHomog')
|
||||
k = 0_pInt
|
||||
do i = 1,NpointsNew
|
||||
do j = 1,sizeStateHomog(1,i)
|
||||
k=k+1_pInt
|
||||
write(777,rec=k) stateHomog(1,1,indices(i),j)
|
||||
enddo
|
||||
enddo
|
||||
close (777)
|
||||
deallocate(sizeStateHomog)
|
||||
deallocate(stateHomog)
|
||||
|
||||
deallocate(indices)
|
||||
|
||||
mesh_regrid = resNew
|
||||
end function mesh_regrid
|
||||
|
||||
end subroutine mesh_regrid
|
||||
|
||||
function mesh_spectral_getDimension(fileUnit)
|
||||
use IO, only: &
|
||||
|
|
|
|||
|
|
@ -50,9 +50,9 @@ if options.compiler not in compilers:
|
|||
f2py_compiler = {
|
||||
'gfortran': 'gnu95 --f90flags="-fno-range-check -xf95-cpp-input -std=f2008 -fall-intrinsics"',
|
||||
'gnu95': 'gnu95 --f90flags="-fno-range-check -xf95-cpp-input -std=f2008 -fall-intrinsics"',
|
||||
'intel32': 'intel --f90flags="-fpp -stand f03 -diag-disable 5268"',
|
||||
'intel': 'intelem --f90flags="-fpp -stand f03 -diag-disable 5268"',
|
||||
'ifort': 'intelem --f90flags="-fpp -stand f03 -diag-disable 5268"',
|
||||
'intel32': 'intel --f90flags="-fpp -stand f03 -diag-disable 5268 -assume byterecl"',
|
||||
'intel': 'intelem --f90flags="-fpp -stand f03 -diag-disable 5268 -assume byterecl"',
|
||||
'ifort': 'intelem --f90flags="-fpp -stand f03 -diag-disable 5268 -assume byterecl"',
|
||||
}[options.compiler]
|
||||
compiler = {
|
||||
'gfortran': 'gfortran',
|
||||
|
|
|
|||
Loading…
Reference in New Issue