Merge branch '260-remove-debug-yaml-assocciated-code-tests' into 'development'
debug.yaml causes more work than it saves Closes #260 See merge request damask/DAMASK!717
This commit is contained in:
Franz Roters
commit
b4e706f099
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@ -1,12 +0,0 @@
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phase: [basic, extensive, selective]
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materialpoint: [basic, extensive, selective]
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# options for selective debugging
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element: 1
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integrationpoint: 1
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constituent: 1
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# solver-specific
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mesh: [PETSc]
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grid: [basic, rotation, PETSc]
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Marc: [basic]
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@ -130,7 +130,7 @@ subroutine CLI_init
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print'(a)', ' Make sure the file "material.yaml" exists in the working'
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print'(a)', ' directory.'
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print'(a)', ' For further configuration place "numerics.yaml"'
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print'(a)',' and "debug.yaml" in that directory.'
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print'(a)',' in that directory.'
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print'(/,a)',' --restart N'
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print'(a)', ' Reads in increment N and continues with calculating'
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print'(a)', ' increment N+1, N+2, ... based on this.'
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@ -484,8 +484,6 @@ subroutine IO_error(error_ID,ext_msg,label1,ID1,label2,ID2)
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!--------------------------------------------------------------------------------------------------
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! user errors
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case (602)
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msg = 'invalid selection for debug'
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case (603)
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msg = 'invalid data for table'
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@ -282,34 +282,15 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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logical, save :: &
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lastIncConverged = .false., & !< needs description
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outdatedByNewInc = .false., & !< needs description
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materialpoint_init_done = .false., & !< remember whether init has been done already
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debug_basic = .true.
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type(tList), pointer :: &
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debug_Marc ! pointer to Marc debug options
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materialpoint_init_done = .false. !< remember whether init has been done already
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if (debug_basic) then
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print'(a,/,i8,i8,i2)', ' MSC.Marc information on shape of element(2), IP:', m, nn
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print'(a,2(i1))', ' Jacobian: ', ngens,ngens
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print'(a,i1)', ' Direct stress: ', ndi
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print'(a,i1)', ' Shear stress: ', nshear
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print'(a,i2)', ' DoF: ', ndeg
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print'(a,i2)', ' Coordinates: ', ncrd
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print'(a,i12)', ' Nodes: ', nnode
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print'(a,i1)', ' Deformation gradient: ', itel
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
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transpose(ffn)
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
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transpose(ffn1)
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end if
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defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc
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call omp_set_num_threads(1_pI32) ! no openMP
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if (.not. materialpoint_init_done) then
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materialpoint_init_done = .true.
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call materialpoint_initAll
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debug_Marc => config_debug%get_list('Marc',defaultVal=emptyList)
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debug_basic = debug_Marc%contains('basic')
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call materialpoint_initAll()
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end if
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computationMode = 0 ! save initialization value, since it does not result in any calculation
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@ -59,8 +59,7 @@ subroutine discretization_Marc_init
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integer, dimension(:), allocatable :: &
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materialAt
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integer:: &
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Nelems, & !< total number of elements in the mesh
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debug_e, debug_i
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Nelems !< total number of elements in the mesh
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real(pReal), dimension(:,:), allocatable :: &
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IP_reshaped
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@ -75,9 +74,6 @@ subroutine discretization_Marc_init
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print'(/,a)', ' <<<+- discretization_Marc init -+>>>'; flush(6)
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debug_e = config_debug%get_asInt('element',defaultVal=1)
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debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1)
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num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict)
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mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
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if (mesh_unitlength <= 0.0_pReal) call IO_error(301,'unitlength')
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@ -85,9 +81,6 @@ subroutine discretization_Marc_init
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call inputRead(elem,node0_elem,connectivity_elem,materialAt)
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nElems = size(connectivity_elem,2)
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if (debug_e < 1 .or. debug_e > nElems) call IO_error(602,'element')
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if (debug_i < 1 .or. debug_i > elem%nIPs) call IO_error(602,'IP')
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allocate(cellNodeDefinition(elem%nNodes-1))
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allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,nElems))
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@ -50,18 +50,6 @@ module materialpoint_Marc
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type(tNumerics), private :: num
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type, private :: tDebugOptions
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logical :: &
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basic, &
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extensive, &
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selective
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integer:: &
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element, &
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ip
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end type tDebugOptions
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type(tDebugOptions), private :: debugmaterialpoint
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public :: &
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materialpoint_general, &
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materialpoint_initAll, &
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@ -99,36 +87,16 @@ end subroutine materialpoint_initAll
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!--------------------------------------------------------------------------------------------------
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!> @brief allocate the arrays defined in module materialpoint and initialize them
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!> @brief Allocate the arrays defined in module materialpoint and initialize them.
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!--------------------------------------------------------------------------------------------------
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subroutine materialpoint_init()
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type(tList), pointer :: &
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debug_materialpoint
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print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
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allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
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allocate(materialpoint_dcsdE( 6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
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allocate(materialpoint_dcsdE_knownGood(6,6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
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!------------------------------------------------------------------------------
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! read debug options
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debug_materialpoint => config_debug%get_list('materialpoint',defaultVal=emptyList)
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debugmaterialpoint%basic = debug_materialpoint%contains('basic')
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debugmaterialpoint%extensive = debug_materialpoint%contains('extensive')
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debugmaterialpoint%selective = debug_materialpoint%contains('selective')
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debugmaterialpoint%element = config_debug%get_asInt('element',defaultVal = 1)
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debugmaterialpoint%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
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if (debugmaterialpoint%basic) then
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print'(a32,1x,6(i8,1x))', 'materialpoint_cs: ', shape(materialpoint_cs)
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print'(a32,1x,6(i8,1x))', 'materialpoint_dcsdE: ', shape(materialpoint_dcsdE)
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print'(a32,1x,6(i8,1x),/)', 'materialpoint_dcsdE_knownGood: ', shape(materialpoint_dcsdE_knownGood)
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flush(IO_STDOUT)
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end if
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end subroutine materialpoint_init
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@ -164,16 +132,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
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elCP = discretization_Marc_FEM2DAMASK_elem(elFE)
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ce = discretization_Marc_FEM2DAMASK_cell(ip,elFE)
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if (debugmaterialpoint%basic .and. elCP == debugmaterialpoint%element .and. ip == debugmaterialpoint%ip) then
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print'(/,a)', '#############################################'
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print'(a1,a22,1x,i8,a13)', '#','element', elCP, '#'
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print'(a1,a22,1x,i8,a13)', '#','ip', ip, '#'
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print'(a1,a22,1x,i8,a13)', '#','cycleCounter', cycleCounter, '#'
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print'(a1,a22,1x,i8,a13)', '#','computationMode',mode, '#'
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if (terminallyIll) &
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print'(a,/)', '# --- terminallyIll --- #'
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print'(a,/)', '#############################################'; flush (6)
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end if
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if (iand(mode, materialpoint_BACKUPJACOBIAN) /= 0) &
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materialpoint_dcsde_knownGood = materialpoint_dcsde
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@ -194,7 +152,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
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materialpoint_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
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else validCalculation
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if (debugmaterialpoint%extensive) print'(a,i8,1x,i2)', '<< materialpoint >> calculation for elFE ip ',elFE,ip
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call homogenization_mechanical_response(dt,(elCP-1)*discretization_nIPs + ip,(elCP-1)*discretization_nIPs + ip)
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if (.not. terminallyIll) &
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call homogenization_mechanical_response2(dt,[ip,ip],[elCP,elCP])
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@ -232,15 +189,6 @@ subroutine materialpoint_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip,
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end if terminalIllness
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end if validCalculation
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if (debugmaterialpoint%extensive &
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.and. ((debugmaterialpoint%element == elCP .and. debugmaterialpoint%ip == ip) .or. .not. debugmaterialpoint%selective)) then
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print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', &
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'<< materialpoint >> stress/MPa at elFE ip ', elFE, ip, materialpoint_cs(1:6,ip,elCP)*1.0e-6_pReal
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print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
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'<< materialpoint >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(materialpoint_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
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flush(IO_STDOUT)
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end if
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end if
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if (all(abs(materialpoint_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) &
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@ -1,6 +1,6 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Read in the configuration of material, numerics, and debug from their respective file
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!> @brief Read in the material and numerics configuration from their respective file.
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!--------------------------------------------------------------------------------------------------
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module config
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use IO
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@ -14,8 +14,7 @@ module config
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type(tDict), pointer, public :: &
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config_material, &
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config_numerics, &
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config_debug
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config_numerics
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public :: &
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config_init, &
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@ -24,7 +23,7 @@ module config
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief Real *.yaml configuration files.
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!> @brief Read *.yaml configuration files.
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!--------------------------------------------------------------------------------------------------
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subroutine config_init()
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@ -32,7 +31,6 @@ subroutine config_init()
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call parse_material()
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call parse_numerics()
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call parse_debug()
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end subroutine config_init
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@ -95,41 +93,9 @@ subroutine parse_numerics()
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end subroutine parse_numerics
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!--------------------------------------------------------------------------------------------------
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!> @brief Read debug.yaml.
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!--------------------------------------------------------------------------------------------------
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subroutine parse_debug()
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logical :: fileExists
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character(len=:), allocatable :: fileContent
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config_debug => emptyDict
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inquire(file='debug.yaml', exist=fileExists)
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if (fileExists) then
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if (worldrank == 0) then
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print'(1x,a)', 'reading debug.yaml'; flush(IO_STDOUT)
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fileContent = IO_read('debug.yaml')
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if (len(fileContent) > 0) then
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call result_openJobFile(parallel=.false.)
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call result_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration')
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call result_closeJobFile
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end if
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end if
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call parallelization_bcast_str(fileContent)
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config_debug => YAML_parse_str_asDict(fileContent)
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end if
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end subroutine parse_debug
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!--------------------------------------------------------------------------------------------------
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!> @brief Deallocate config_material.
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!ToDo: deallocation of numerics and debug (optional)
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!ToDo: deallocation of numerics (optional)
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!--------------------------------------------------------------------------------------------------
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subroutine config_deallocate
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@ -65,8 +65,7 @@ subroutine discretization_grid_init(restart)
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materialAt, materialAt_global
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integer :: &
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j, &
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debug_element, debug_ip
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j
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integer(MPI_INTEGER_KIND) :: err_MPI
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integer(C_INTPTR_T) :: &
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devNull, z, z_offset
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@ -163,13 +162,6 @@ subroutine discretization_grid_init(restart)
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call geometry_plastic_nonlocal_setIPareaNormal (cellSurfaceNormal(product(myGrid)))
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call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(myGrid))
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!-------------------------------------------------------------------------------------------------
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! debug parameters
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debug_element = config_debug%get_asInt('element',defaultVal=1)
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if (debug_element < 1 .or. debug_element > product(myGrid)) call IO_error(602,ext_msg='element')
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debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
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if (debug_ip /= 1) call IO_error(602,ext_msg='IP')
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end subroutine discretization_grid_init
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|
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@ -50,8 +50,6 @@ module grid_mechanical_FEM
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type(tNumerics) :: num ! numerics parameters. Better name?
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logical :: debugRotation
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM :: mechanical_grid
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@ -121,19 +119,12 @@ subroutine grid_mechanical_FEM_init
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integer(HID_T) :: fileHandle, groupHandle
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type(tDict), pointer :: &
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num_grid
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type(tList), pointer :: &
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debug_grid
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character(len=pStringLen) :: &
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extmsg = ''
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print'(/,1x,a)', '<<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
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!-------------------------------------------------------------------------------------------------
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! debugging options
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debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
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debugRotation = debug_grid%contains('rotation')
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!-------------------------------------------------------------------------------------------------
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! read numerical parameters and do sanity checks
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num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
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@ -565,7 +556,8 @@ subroutine formResidual(da_local,x_local, &
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newIteration: if (totalIter <= PETScIter) then
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totalIter = totalIter + 1
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print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
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if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
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if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
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print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
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'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
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print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
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'deformation gradient aim =', transpose(F_aim)
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|
|
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|||
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@ -49,8 +49,6 @@ module grid_mechanical_spectral_basic
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type(tNumerics) :: num ! numerics parameters. Better name?
|
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logical :: debugRotation
|
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|
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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DM :: da
|
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|
@ -117,8 +115,6 @@ subroutine grid_mechanical_spectral_basic_init()
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integer(HID_T) :: fileHandle, groupHandle
|
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type(tDict), pointer :: &
|
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num_grid
|
||||
type(tList), pointer :: &
|
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debug_grid
|
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character(len=pStringLen) :: &
|
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extmsg = ''
|
||||
|
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|
|
@ -131,11 +127,6 @@ subroutine grid_mechanical_spectral_basic_init()
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print'( 1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
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print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
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|
||||
!-------------------------------------------------------------------------------------------------
|
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! debugging options
|
||||
debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
|
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debugRotation = debug_grid%contains('rotation')
|
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|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameters and do sanity checks
|
||||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
|
|
@ -518,7 +509,8 @@ subroutine formResidual(residual_subdomain, F, &
|
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newIteration: if (totalIter <= PETScIter) then
|
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totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
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if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
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print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
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'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
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print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
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'deformation gradient aim =', transpose(F_aim)
|
||||
|
|
|
|||
|
|
@ -54,8 +54,6 @@ module grid_mechanical_spectral_polarisation
|
|||
|
||||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||||
|
||||
logical :: debugRotation
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc data
|
||||
DM :: da
|
||||
|
|
@ -130,8 +128,6 @@ subroutine grid_mechanical_spectral_polarisation_init()
|
|||
integer(HID_T) :: fileHandle, groupHandle
|
||||
type(tDict), pointer :: &
|
||||
num_grid
|
||||
type(tList), pointer :: &
|
||||
debug_grid
|
||||
character(len=pStringLen) :: &
|
||||
extmsg = ''
|
||||
|
||||
|
|
@ -141,10 +137,6 @@ subroutine grid_mechanical_spectral_polarisation_init()
|
|||
print'(/,1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! debugging options
|
||||
debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameters and do sanity checks
|
||||
|
|
@ -595,7 +587,8 @@ subroutine formResidual(residual_subdomain, FandF_tau, &
|
|||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
|
||||
if (debugRotation) print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
if (any(dNeq(params%rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
'deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
print'(/,1x,a,/,2(3(f12.7,1x)/),3(f12.7,1x))', &
|
||||
'deformation gradient aim =', transpose(F_aim)
|
||||
|
|
|
|||
|
|
@ -64,13 +64,6 @@ module spectral_utilities
|
|||
planScalarForth, & !< FFTW MPI plan s(x) to s(k)
|
||||
planScalarBack !< FFTW MPI plan s(k) to s(x)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables controlling debugging
|
||||
logical :: &
|
||||
debugGeneral, & !< general debugging of spectral solver
|
||||
debugRotation, & !< also printing out results in lab frame
|
||||
debugPETSc !< use some in debug defined options for more verbose PETSc solution
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type, public :: tSolutionState !< return type of solution from spectral solver variants
|
||||
|
|
@ -131,12 +124,7 @@ module spectral_utilities
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all neccessary fields, sets debug flags, create plans for FFTW
|
||||
!> @details Sets the debug levels for general, divergence, restart, and FFTW from the bitwise coding
|
||||
!> provided by the debug module to logicals.
|
||||
!> Allocate all fields used by FFTW and create the corresponding plans depending on the debug
|
||||
!> level chosen.
|
||||
!> Initializes FFTW.
|
||||
!> @brief Allocate all neccessary fields and create plans for FFTW.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine spectral_utilities_init()
|
||||
|
||||
|
|
@ -157,12 +145,8 @@ subroutine spectral_utilities_init()
|
|||
integer(C_INTPTR_T), parameter :: &
|
||||
vectorSize = 3_C_INTPTR_T, &
|
||||
tensorSize = 9_C_INTPTR_T
|
||||
character(len=*), parameter :: &
|
||||
PETSCDEBUG = ' -snes_view -snes_monitor '
|
||||
type(tDict) , pointer :: &
|
||||
num_grid
|
||||
type(tList) , pointer :: &
|
||||
debug_grid
|
||||
|
||||
|
||||
print'(/,1x,a)', '<<<+- spectral_utilities init -+>>>'
|
||||
|
|
@ -179,25 +163,10 @@ subroutine spectral_utilities_init()
|
|||
print'( 1x,a)', 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||
print'( 1x,a)', 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set debugging parameters
|
||||
|
||||
num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
|
||||
|
||||
debug_grid => config_debug%get_List('grid',defaultVal=emptyList)
|
||||
debugGeneral = debug_grid%contains('basic')
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
debugPETSc = debug_grid%contains('PETSc')
|
||||
|
||||
if (debugPETSc) print'(3(/,1x,a),/)', &
|
||||
'Initializing PETSc with debug options: ', &
|
||||
trim(PETScDebug), &
|
||||
'add more using the "PETSc_options" keyword in numerics.yaml'
|
||||
flush(IO_STDOUT)
|
||||
|
||||
call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
if (debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,&
|
||||
num_grid%get_asString('PETSc_options',defaultVal=''),err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
|
|
@ -704,13 +673,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
if (size_reduced > 0) then
|
||||
temp99_real = math_3333to99(rot_BC%rotate(C))
|
||||
|
||||
if (debugGeneral) then
|
||||
print'(/,1x,a)', '... updating masked compliance ............................................'
|
||||
print'(/,1x,a,/,8(9(2x,f12.7,1x)/),9(2x,f12.7,1x))', &
|
||||
'Stiffness C (load) / GPa =', transpose(temp99_Real)*1.0e-9_pReal
|
||||
flush(IO_STDOUT)
|
||||
end if
|
||||
|
||||
do i = 1,9; do j = 1,9
|
||||
mask(i,j) = mask_stressVector(i) .and. mask_stressVector(j)
|
||||
end do; end do
|
||||
|
|
@ -724,7 +686,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
! check if inversion was successful
|
||||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
if (errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,1x,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
print trim(formatString), 'C * S (load) ', transpose(matmul(c_reduced,s_reduced))
|
||||
|
|
@ -738,12 +700,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
if (debugGeneral) then
|
||||
print'(/,1x,a,/,9(9(2x,f10.5,1x)/),9(2x,f10.5,1x))', &
|
||||
'Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
|
||||
flush(IO_STDOUT)
|
||||
end if
|
||||
|
||||
end function utilities_maskedCompliance
|
||||
|
||||
|
||||
|
|
@ -825,9 +781,12 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
|
||||
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
|
||||
if (debugRotation) print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
if (present(rotation_BC)) then
|
||||
if (any(dNeq(rotation_BC%asQuaternion(), real([1.0, 0.0, 0.0, 0.0],pReal)))) &
|
||||
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
'Piola--Kirchhoff stress (lab) / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
if (present(rotation_BC)) P_av = rotation_BC%rotate(P_av)
|
||||
P_av = rotation_BC%rotate(P_av)
|
||||
end if
|
||||
print'(/,1x,a,/,2(3(2x,f12.4,1x)/),3(2x,f12.4,1x))', &
|
||||
'Piola--Kirchhoff stress / MPa =', transpose(P_av)*1.e-6_pReal
|
||||
flush(IO_STDOUT)
|
||||
|
|
|
|||
|
|
@ -88,21 +88,17 @@ contains
|
|||
|
||||
!ToDo: use functions in variable call
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all neccessary fields, sets debug flags
|
||||
!> @brief Allocate all neccessary fields.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine FEM_utilities_init
|
||||
|
||||
character(len=pStringLen) :: petsc_optionsOrder
|
||||
type(tDict), pointer :: &
|
||||
num_mesh, &
|
||||
debug_mesh ! pointer to mesh debug options
|
||||
num_mesh
|
||||
integer :: &
|
||||
p_s, & !< order of shape functions
|
||||
p_i !< integration order (quadrature rule)
|
||||
character(len=*), parameter :: &
|
||||
PETSCDEBUG = ' -snes_view -snes_monitor '
|
||||
PetscErrorCode :: err_PETSc
|
||||
logical :: debugPETSc !< use some in debug defined options for more verbose PETSc solution
|
||||
|
||||
|
||||
print'(/,1x,a)', '<<<+- FEM_utilities init -+>>>'
|
||||
|
|
@ -117,17 +113,9 @@ subroutine FEM_utilities_init
|
|||
if (p_i < max(1,p_s-1) .or. p_i > p_s) &
|
||||
call IO_error(821,ext_msg='integration order (p_i) out of bounds')
|
||||
|
||||
debug_mesh => config_debug%get_dict('mesh',defaultVal=emptyDict)
|
||||
debugPETSc = debug_mesh%contains('PETSc')
|
||||
|
||||
if (debugPETSc) print'(3(/,1x,a),/)', &
|
||||
'Initializing PETSc with debug options: ', &
|
||||
trim(PETScDebug), &
|
||||
'add more using the "PETSc_options" keyword in numerics.yaml'
|
||||
flush(IO_STDOUT)
|
||||
call PetscOptionsClear(PETSC_NULL_OPTIONS,err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
if (debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),err_PETSc)
|
||||
CHKERRQ(err_PETSc)
|
||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
|
||||
&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
|
||||
|
|
|
|||
|
|
@ -78,8 +78,7 @@ subroutine discretization_mesh_init(restart)
|
|||
|
||||
PetscInt :: dimPlex, &
|
||||
mesh_Nnodes, & !< total number of nodes in mesh
|
||||
j, &
|
||||
debug_element, debug_ip
|
||||
j
|
||||
PetscSF :: sf
|
||||
DM :: globalMesh
|
||||
PetscInt :: nFaceSets, Nboundaries, NelemsGlobal, Nelems
|
||||
|
|
@ -103,11 +102,6 @@ subroutine discretization_mesh_init(restart)
|
|||
num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
|
||||
p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
|
||||
|
||||
!---------------------------------------------------------------------------------
|
||||
! read debug parameters
|
||||
debug_element = config_debug%get_asInt('element',defaultVal=1)
|
||||
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||
|
||||
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>16)
|
||||
call DMPlexCreateFromFile(PETSC_COMM_WORLD,CLI_geomFile,'n/a',PETSC_TRUE,globalMesh,err_PETSc)
|
||||
#else
|
||||
|
|
@ -182,9 +176,6 @@ subroutine discretization_mesh_init(restart)
|
|||
end do
|
||||
materialAt = materialAt + 1_pPETSCINT
|
||||
|
||||
if (debug_element < 1 .or. debug_element > mesh_NcpElems) call IO_error(602,ext_msg='element')
|
||||
if (debug_ip < 1 .or. debug_ip > mesh_maxNips) call IO_error(602,ext_msg='IP')
|
||||
|
||||
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
|
||||
mesh_node0(1:dimPlex,:) = reshape(mesh_node0_temp,[dimPlex,mesh_Nnodes])
|
||||
|
||||
|
|
|
|||
|
|
@ -76,17 +76,6 @@ module phase
|
|||
|
||||
type(tNumerics) :: num ! numerics parameters. Better name?
|
||||
|
||||
type :: tDebugOptions
|
||||
logical :: &
|
||||
basic, &
|
||||
extensive, &
|
||||
selective
|
||||
integer :: &
|
||||
element, &
|
||||
ip, &
|
||||
grain
|
||||
end type tDebugOptions
|
||||
|
||||
type(tPlasticState), allocatable, dimension(:), public :: &
|
||||
plasticState
|
||||
type(tState), allocatable, dimension(:), public :: &
|
||||
|
|
@ -334,7 +323,6 @@ module phase
|
|||
end interface
|
||||
|
||||
|
||||
type(tDebugOptions) :: debugConstitutive
|
||||
#if __INTEL_COMPILER >= 1900
|
||||
public :: &
|
||||
prec, &
|
||||
|
|
@ -390,21 +378,10 @@ subroutine phase_init
|
|||
type(tDict), pointer :: &
|
||||
phases, &
|
||||
phase
|
||||
type(tList), pointer :: &
|
||||
debug_constitutive
|
||||
|
||||
|
||||
print'(/,1x,a)', '<<<+- phase init -+>>>'; flush(IO_STDOUT)
|
||||
|
||||
debug_constitutive => config_debug%get_list('phase', defaultVal=emptyList)
|
||||
debugConstitutive%basic = debug_constitutive%contains('basic')
|
||||
debugConstitutive%extensive = debug_constitutive%contains('extensive')
|
||||
debugConstitutive%selective = debug_constitutive%contains('selective')
|
||||
debugConstitutive%element = config_debug%get_asInt('element', defaultVal = 1)
|
||||
debugConstitutive%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugConstitutive%grain = config_debug%get_asInt('constituent', defaultVal = 1)
|
||||
|
||||
|
||||
phases => config_material%get_dict('phase')
|
||||
allocate(phase_lattice(phases%length))
|
||||
allocate(phase_cOverA(phases%length),source=-1.0_pReal)
|
||||
|
|
|
|||
|
|
@ -1114,12 +1114,6 @@ module subroutine nonlocal_dotState(Mp,timestep, &
|
|||
|
||||
if ( any(rho(:,mob) + rhoDot(:,1:4) * timestep < -prm%atol_rho) &
|
||||
.or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
|
||||
#ifdef DEBUG
|
||||
if (debugConstitutive%extensive) then
|
||||
print'(a,i5,a,i2)', '<< CONST >> evolution rate leads to negative density at ph ',ph,' en ',en
|
||||
print'(a)', '<< CONST >> enforcing cutback !!!'
|
||||
end if
|
||||
#endif
|
||||
plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
|
||||
else
|
||||
dot%rho(:,en) = pack(rhoDot,.true.)
|
||||
|
|
@ -1219,17 +1213,6 @@ function rhoDotFlux(timestep,ph,en)
|
|||
if (any( abs(dot_gamma) > 0.0_pReal & ! any active slip system ...
|
||||
.and. prm%C_CFL * abs(v0) * timestep &
|
||||
> geom(ph)%V_0(en)/ maxval(geom(ph)%IParea(:,en)))) then ! ...with velocity above critical value (we use the reference volume and area for simplicity here)
|
||||
#ifdef DEBUG
|
||||
if (debugConstitutive%extensive) then
|
||||
print'(a,i5,a,i2)', '<< CONST >> CFL condition not fullfilled at ph ',ph,' en ',en
|
||||
print'(a,e10.3,a,e10.3)', '<< CONST >> velocity is at ', &
|
||||
maxval(abs(v0), abs(dot_gamma) > 0.0_pReal &
|
||||
.and. prm%C_CFL * abs(v0) * timestep &
|
||||
> geom(ph)%V_0(en) / maxval(geom(ph)%IParea(:,en))), &
|
||||
' at a timestep of ',timestep
|
||||
print*, '<< CONST >> enforcing cutback !!!'
|
||||
end if
|
||||
#endif
|
||||
rhoDotFlux = IEEE_value(1.0_pReal,IEEE_quiet_NaN) ! enforce cutback
|
||||
return
|
||||
end if
|
||||
|
|
|
|||
Loading…
Reference in New Issue