Merge branch 'Fortran-simplifications' into development
This commit is contained in:
commit
3e9904894b
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@ -48,7 +48,7 @@ module CPFEM
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end type tNumerics
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end type tNumerics
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type(tNumerics), private :: num
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type(tNumerics), private :: num
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type, private :: tDebugOptions
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type, private :: tDebugOptions
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logical :: &
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logical :: &
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basic, &
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basic, &
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@ -58,9 +58,9 @@ module CPFEM
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element, &
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element, &
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ip
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ip
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end type tDebugOptions
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end type tDebugOptions
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type(tDebugOptions), private :: debugCPFEM
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type(tDebugOptions), private :: debugCPFEM
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public :: &
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public :: &
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CPFEM_general, &
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CPFEM_general, &
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CPFEM_initAll, &
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CPFEM_initAll, &
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@ -74,6 +74,7 @@ contains
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine CPFEM_initAll
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subroutine CPFEM_initAll
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call parallelization_init
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call DAMASK_interface_init
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call DAMASK_interface_init
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call prec_init
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call prec_init
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call IO_init
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call IO_init
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@ -81,7 +82,7 @@ subroutine CPFEM_initAll
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call math_init
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call math_init
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call rotations_init
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call rotations_init
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call YAML_types_init
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call YAML_types_init
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call YAML_init
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call YAML_parse_init
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call HDF5_utilities_init
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call HDF5_utilities_init
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call results_init(.false.)
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call results_init(.false.)
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call discretization_marc_init
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call discretization_marc_init
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@ -113,20 +114,20 @@ subroutine CPFEM_init
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allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
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allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
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!------------------------------------------------------------------------------
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!------------------------------------------------------------------------------
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! read numerical parameters and do sanity check
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! read numerical parameters and do sanity check
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num_commercialFEM => numerics_root%get('commercialFEM',defaultVal=emptyDict)
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num_commercialFEM => config_numerics%get('commercialFEM',defaultVal=emptyDict)
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num%iJacoStiffness = num_commercialFEM%get_asInt('ijacostiffness',defaultVal=1)
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num%iJacoStiffness = num_commercialFEM%get_asInt('ijacostiffness',defaultVal=1)
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if (num%iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness')
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if (num%iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness')
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!------------------------------------------------------------------------------
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!------------------------------------------------------------------------------
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! read debug options
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! read debug options
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debug_CPFEM => debug_root%get('cpfem',defaultVal=emptyList)
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debug_CPFEM => config_debug%get('cpfem',defaultVal=emptyList)
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debugCPFEM%basic = debug_CPFEM%contains('basic')
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debugCPFEM%basic = debug_CPFEM%contains('basic')
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debugCPFEM%extensive = debug_CPFEM%contains('extensive')
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debugCPFEM%extensive = debug_CPFEM%contains('extensive')
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debugCPFEM%selective = debug_CPFEM%contains('selective')
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debugCPFEM%selective = debug_CPFEM%contains('selective')
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debugCPFEM%element = debug_root%get_asInt('element',defaultVal = 1)
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debugCPFEM%element = config_debug%get_asInt('element',defaultVal = 1)
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debugCPFEM%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
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debugCPFEM%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
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if(debugCPFEM%basic) then
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if(debugCPFEM%basic) then
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write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
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write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
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@ -201,7 +202,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
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call random_number(rnd)
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call random_number(rnd)
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
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else validCalculation
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else validCalculation
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updateJaco = mod(cycleCounter,num%iJacoStiffness) == 0
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updateJaco = mod(cycleCounter,num%iJacoStiffness) == 0
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@ -216,7 +217,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
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call random_number(rnd)
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call random_number(rnd)
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
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else terminalIllness
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else terminalIllness
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@ -40,6 +40,7 @@ contains
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine CPFEM_initAll
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subroutine CPFEM_initAll
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call parallelization_init
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call DAMASK_interface_init ! Spectral and FEM interface to commandline
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call DAMASK_interface_init ! Spectral and FEM interface to commandline
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call prec_init
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call prec_init
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call IO_init
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call IO_init
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@ -51,7 +52,7 @@ subroutine CPFEM_initAll
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call math_init
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call math_init
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call rotations_init
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call rotations_init
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call YAML_types_init
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call YAML_types_init
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call YAML_init
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call YAML_parse_init
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call lattice_init
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call lattice_init
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call HDF5_utilities_init
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call HDF5_utilities_init
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call results_init(restart=interface_restartInc>0)
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call results_init(restart=interface_restartInc>0)
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@ -19,26 +19,27 @@ module DAMASK_interface
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use PETScSys
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use PETScSys
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use prec
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use prec
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use parallelization
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use system_routines
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use system_routines
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implicit none
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implicit none
|
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private
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private
|
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logical, volatile, public, protected :: &
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logical, volatile, public, protected :: &
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SIGTERM, & !< termination signal
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interface_SIGTERM, & !< termination signal
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SIGUSR1, & !< 1. user-defined signal
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interface_SIGUSR1, & !< 1. user-defined signal
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SIGUSR2 !< 2. user-defined signal
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interface_SIGUSR2 !< 2. user-defined signal
|
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integer, public, protected :: &
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integer, public, protected :: &
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interface_restartInc = 0 !< Increment at which calculation starts
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interface_restartInc = 0 !< Increment at which calculation starts
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character(len=:), allocatable, public, protected :: &
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character(len=:), allocatable, public, protected :: &
|
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geometryFile, & !< parameter given for geometry file
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interface_geomFile, & !< parameter given for geometry file
|
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loadCaseFile !< parameter given for load case file
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interface_loadFile !< parameter given for load case file
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||||||
|
|
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public :: &
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public :: &
|
||||||
getSolverJobName, &
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getSolverJobName, &
|
||||||
DAMASK_interface_init, &
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DAMASK_interface_init, &
|
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setSIGTERM, &
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interface_setSIGTERM, &
|
||||||
setSIGUSR1, &
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interface_setSIGUSR1, &
|
||||||
setSIGUSR2
|
interface_setSIGUSR2
|
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contains
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contains
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|
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@ -72,144 +73,94 @@ subroutine DAMASK_interface_init
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userName !< name of user calling the executable
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userName !< name of user calling the executable
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integer :: &
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integer :: &
|
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stat, &
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stat, &
|
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i, &
|
i
|
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#ifdef _OPENMP
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|
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threadLevel, &
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|
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#endif
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|
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worldrank = 0, &
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|
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worldsize = 0, &
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|
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typeSize
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|
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integer, dimension(8) :: &
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integer, dimension(8) :: &
|
||||||
dateAndTime
|
dateAndTime
|
||||||
integer :: err
|
integer :: err
|
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PetscErrorCode :: petsc_err
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|
||||||
external :: &
|
external :: &
|
||||||
quit
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quit
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|
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print'(/,a)', ' <<<+- DAMASK_interface init -+>>>'
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|
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open(6, encoding='UTF-8') ! for special characters in output
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open(6, encoding='UTF-8') ! for special characters in output
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
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! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
|
||||||
! PETSc Init
|
#ifdef DEBUG
|
||||||
#ifdef _OPENMP
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print*, achar(27)//'[31m'
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||||||
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
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print'(a,/)', ' debug version - debug version - debug version - debug version - debug version'
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! Otherwise, the first call to PETSc will do the initialization.
|
#else
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call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err)
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print*, achar(27)//'[94m'
|
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if (err /= 0) call quit(1)
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|
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if (threadLevel<MPI_THREAD_FUNNELED) then
|
|
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write(6,'(/,a)') ' ERROR: MPI library does not support OpenMP'
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|
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call quit(1)
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|
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endif
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|
||||||
#endif
|
#endif
|
||||||
call PETScInitializeNoArguments(petsc_err) ! according to PETSc manual, that should be the first line in the code
|
print*, ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
|
||||||
CHKERRQ(petsc_err) ! this is a macro definition, it is case sensitive
|
print*, ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
|
||||||
|
print*, ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
|
||||||
|
print*, ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
|
||||||
|
print*, ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
|
||||||
|
#ifdef DEBUG
|
||||||
|
print'(/,a)', ' debug version - debug version - debug version - debug version - debug version'
|
||||||
|
#endif
|
||||||
|
print*, achar(27)//'[0m'
|
||||||
|
|
||||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,err)
|
print'(a)', ' Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||||
if (err /= 0) call quit(1)
|
print'(a)', ' https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||||
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,err)
|
|
||||||
if (err /= 0) call quit(1)
|
|
||||||
|
|
||||||
mainProcess: if (worldrank == 0) then
|
print'(/,a)', ' Version: '//DAMASKVERSION
|
||||||
if (output_unit /= 6) then
|
|
||||||
write(output_unit,'(/,a)') ' ERROR: STDOUT != 6'
|
|
||||||
call quit(1)
|
|
||||||
endif
|
|
||||||
if (error_unit /= 0) then
|
|
||||||
write(output_unit,'(/,a)') ' ERROR: STDERR != 0'
|
|
||||||
call quit(1)
|
|
||||||
endif
|
|
||||||
else mainProcess
|
|
||||||
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
|
|
||||||
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
|
|
||||||
endif mainProcess
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
|
|
||||||
|
|
||||||
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK
|
|
||||||
write(6,*) achar(27)//'[94m'
|
|
||||||
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/'
|
|
||||||
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/'
|
|
||||||
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/'
|
|
||||||
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
|
|
||||||
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/'
|
|
||||||
write(6,*) achar(27)//'[0m'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Version: '//DAMASKVERSION
|
|
||||||
|
|
||||||
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
|
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
|
||||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
#if defined(__PGI)
|
||||||
write(6,'(/,a)') ' Compiled with: '//compiler_version()
|
print'(/,a,i4.4,a,i8.8)', ' Compiled with PGI fortran version :', __PGIC__,&
|
||||||
write(6,'(a)') ' Compiler options: '//compiler_options()
|
'.', __PGIC_MINOR__
|
||||||
#elif defined(__INTEL_COMPILER)
|
#else
|
||||||
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
|
print'(/,a)', ' Compiled with: '//compiler_version()
|
||||||
', build date :', __INTEL_COMPILER_BUILD_DATE
|
print'(a)', ' Compiler options: '//compiler_options()
|
||||||
#elif defined(__PGI)
|
|
||||||
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
|
|
||||||
'.', __PGIC_MINOR__
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
|
print'(/,a)', ' Compiled on: '//__DATE__//' at '//__TIME__
|
||||||
|
|
||||||
call date_and_time(values = dateAndTime)
|
call date_and_time(values = dateAndTime)
|
||||||
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
print'(/,a,2(i2.2,a),i4.4)', ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
||||||
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
print'(a,2(i2.2,a),i2.2)', ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
||||||
|
|
||||||
call MPI_Type_size(MPI_INTEGER,typeSize,err)
|
|
||||||
if (err /= 0) call quit(1)
|
|
||||||
if (typeSize*8 /= bit_size(0)) then
|
|
||||||
write(6,'(a)') ' Mismatch between MPI and DAMASK integer'
|
|
||||||
call quit(1)
|
|
||||||
endif
|
|
||||||
|
|
||||||
call MPI_Type_size(MPI_DOUBLE,typeSize,err)
|
|
||||||
if (err /= 0) call quit(1)
|
|
||||||
if (typeSize*8 /= storage_size(0.0_pReal)) then
|
|
||||||
write(6,'(a)') ' Mismatch between MPI and DAMASK real'
|
|
||||||
call quit(1)
|
|
||||||
endif
|
|
||||||
|
|
||||||
do i = 1, command_argument_count()
|
do i = 1, command_argument_count()
|
||||||
call get_command_argument(i,arg,status=err)
|
call get_command_argument(i,arg,status=err)
|
||||||
if (err /= 0) call quit(1)
|
if (err /= 0) call quit(1)
|
||||||
select case(trim(arg)) ! extract key
|
select case(trim(arg)) ! extract key
|
||||||
case ('-h','--help')
|
case ('-h','--help')
|
||||||
write(6,'(a)') ' #######################################################################'
|
print'(a)', ' #######################################################################'
|
||||||
write(6,'(a)') ' DAMASK Command Line Interface:'
|
print'(a)', ' DAMASK Command Line Interface:'
|
||||||
write(6,'(a)') ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
|
print'(a)', ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
|
||||||
write(6,'(a,/)')' #######################################################################'
|
print'(a,/)',' #######################################################################'
|
||||||
write(6,'(a,/)')' Valid command line switches:'
|
print'(a,/)',' Valid command line switches:'
|
||||||
write(6,'(a)') ' --geom (-g, --geometry)'
|
print'(a)', ' --geom (-g, --geometry)'
|
||||||
write(6,'(a)') ' --load (-l, --loadcase)'
|
print'(a)', ' --load (-l, --loadcase)'
|
||||||
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory)'
|
print'(a)', ' --workingdir (-w, --wd, --workingdirectory)'
|
||||||
write(6,'(a)') ' --restart (-r, --rs)'
|
print'(a)', ' --restart (-r, --rs)'
|
||||||
write(6,'(a)') ' --help (-h)'
|
print'(a)', ' --help (-h)'
|
||||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
print'(/,a)',' -----------------------------------------------------------------------'
|
||||||
write(6,'(a)') ' Mandatory arguments:'
|
print'(a)', ' Mandatory arguments:'
|
||||||
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom'
|
print'(/,a)',' --geom PathToGeomFile/NameOfGeom'
|
||||||
write(6,'(a)') ' Specifies the location of the geometry definition file.'
|
print'(a)', ' Specifies the location of the geometry definition file.'
|
||||||
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
|
print'(/,a)',' --load PathToLoadFile/NameOfLoadFile'
|
||||||
write(6,'(a)') ' Specifies the location of the load case definition file.'
|
print'(a)', ' Specifies the location of the load case definition file.'
|
||||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
print'(/,a)',' -----------------------------------------------------------------------'
|
||||||
write(6,'(a)') ' Optional arguments:'
|
print'(a)', ' Optional arguments:'
|
||||||
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
|
print'(/,a)',' --workingdirectory PathToWorkingDirectory'
|
||||||
write(6,'(a)') ' Specifies the working directory and overwrites the default ./'
|
print'(a)', ' Specifies the working directory and overwrites the default ./'
|
||||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
print'(a)', ' Make sure the file "material.config" exists in the working'
|
||||||
write(6,'(a)') ' directory.'
|
print'(a)', ' directory.'
|
||||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
print'(a)', ' For further configuration place "numerics.config"'
|
||||||
write(6,'(a)')' and "debug.config" in that directory.'
|
print'(a)',' and "debug.config" in that directory.'
|
||||||
write(6,'(/,a)')' --restart N'
|
print'(/,a)',' --restart N'
|
||||||
write(6,'(a)') ' Reads in increment N and continues with calculating'
|
print'(a)', ' Reads in increment N and continues with calculating'
|
||||||
write(6,'(a)') ' increment N+1 based on this.'
|
print'(a)', ' increment N+1 based on this.'
|
||||||
write(6,'(a)') ' Appends to existing results file'
|
print'(a)', ' Appends to existing results file'
|
||||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.hdf5".'
|
print'(a)', ' "NameOfGeom_NameOfLoadFile.hdf5".'
|
||||||
write(6,'(a)') ' Works only if the restart information for increment N'
|
print'(a)', ' Works only if the restart information for increment N'
|
||||||
write(6,'(a)') ' is available in the working directory.'
|
print'(a)', ' is available in the working directory.'
|
||||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
print'(/,a)',' -----------------------------------------------------------------------'
|
||||||
write(6,'(a)') ' Help:'
|
print'(a)', ' Help:'
|
||||||
write(6,'(/,a)')' --help'
|
print'(/,a)',' --help'
|
||||||
write(6,'(a,/)')' Prints this message and exits'
|
print'(a,/)',' Prints this message and exits'
|
||||||
call quit(0) ! normal Termination
|
call quit(0) ! normal Termination
|
||||||
case ('-l', '--load', '--loadcase')
|
case ('-l', '--load', '--loadcase')
|
||||||
call get_command_argument(i+1,loadCaseArg,status=err)
|
call get_command_argument(i+1,loadCaseArg,status=err)
|
||||||
|
@ -221,7 +172,7 @@ subroutine DAMASK_interface_init
|
||||||
call get_command_argument(i+1,arg,status=err)
|
call get_command_argument(i+1,arg,status=err)
|
||||||
read(arg,*,iostat=stat) interface_restartInc
|
read(arg,*,iostat=stat) interface_restartInc
|
||||||
if (interface_restartInc < 0 .or. stat /=0) then
|
if (interface_restartInc < 0 .or. stat /=0) then
|
||||||
write(6,'(/,a)') ' ERROR: Could not parse restart increment: '//trim(arg)
|
print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg)
|
||||||
call quit(1)
|
call quit(1)
|
||||||
endif
|
endif
|
||||||
end select
|
end select
|
||||||
|
@ -229,40 +180,38 @@ subroutine DAMASK_interface_init
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
|
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
|
||||||
write(6,'(/,a)') ' ERROR: Please specify geometry AND load case (-h for help)'
|
print'(/,a)', ' ERROR: Please specify geometry AND load case (-h for help)'
|
||||||
call quit(1)
|
call quit(1)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
|
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
|
||||||
geometryFile = getGeometryFile(geometryArg)
|
interface_geomFile = getGeometryFile(geometryArg)
|
||||||
loadCaseFile = getLoadCaseFile(loadCaseArg)
|
interface_loadFile = getLoadCaseFile(loadCaseArg)
|
||||||
|
|
||||||
call get_command(commandLine)
|
call get_command(commandLine)
|
||||||
call get_environment_variable('USER',userName)
|
call get_environment_variable('USER',userName)
|
||||||
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
|
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
|
||||||
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
|
print'(a)', ' Host name: '//trim(getHostName())
|
||||||
write(6,'(a,a)') ' Host name: ', trim(getHostName())
|
print'(a)', ' User name: '//trim(userName)
|
||||||
write(6,'(a,a)') ' User name: ', trim(userName)
|
|
||||||
|
|
||||||
write(6,'(/a,a)') ' Command line call: ', trim(commandLine)
|
print'(/a)', ' Command line call: '//trim(commandLine)
|
||||||
if (len_trim(workingDirArg) > 0) &
|
if (len_trim(workingDirArg) > 0) &
|
||||||
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
print'(a)', ' Working dir argument: '//trim(workingDirArg)
|
||||||
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
print'(a)', ' Geometry argument: '//trim(geometryArg)
|
||||||
write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg)
|
print'(a)', ' Load case argument: '//trim(loadcaseArg)
|
||||||
write(6,'(a,a)') ' Working directory: ', getCWD()
|
print'(a)', ' Working directory: '//getCWD()
|
||||||
write(6,'(a,a)') ' Geometry file: ', geometryFile
|
print'(a)', ' Geometry file: '//interface_geomFile
|
||||||
write(6,'(a,a)') ' Loadcase file: ', loadCaseFile
|
print'(a)', ' Loadcase file: '//interface_loadFile
|
||||||
write(6,'(a,a)') ' Solver job name: ', getSolverJobName()
|
print'(a)', ' Solver job name: '//getSolverJobName()
|
||||||
if (interface_restartInc > 0) &
|
if (interface_restartInc > 0) &
|
||||||
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
|
print'(a,i6.6)', ' Restart from increment: ', interface_restartInc
|
||||||
|
|
||||||
!call signalterm_c(c_funloc(catchSIGTERM))
|
!call signalterm_c(c_funloc(catchSIGTERM))
|
||||||
call signalusr1_c(c_funloc(catchSIGUSR1))
|
call signalusr1_c(c_funloc(catchSIGUSR1))
|
||||||
call signalusr2_c(c_funloc(catchSIGUSR2))
|
call signalusr2_c(c_funloc(catchSIGUSR2))
|
||||||
call setSIGTERM(.false.)
|
call interface_setSIGTERM(.false.)
|
||||||
call setSIGUSR1(.false.)
|
call interface_setSIGUSR1(.false.)
|
||||||
call setSIGUSR2(.false.)
|
call interface_setSIGUSR2(.false.)
|
||||||
|
|
||||||
|
|
||||||
end subroutine DAMASK_interface_init
|
end subroutine DAMASK_interface_init
|
||||||
|
|
||||||
|
@ -288,7 +237,7 @@ subroutine setWorkingDirectory(workingDirectoryArg)
|
||||||
workingDirectory = trim(rectifyPath(workingDirectory))
|
workingDirectory = trim(rectifyPath(workingDirectory))
|
||||||
error = setCWD(trim(workingDirectory))
|
error = setCWD(trim(workingDirectory))
|
||||||
if(error) then
|
if(error) then
|
||||||
write(6,'(/,a)') ' ERROR: Invalid Working directory: '//trim(workingDirectory)
|
print*, 'ERROR: Invalid Working directory: '//trim(workingDirectory)
|
||||||
call quit(1)
|
call quit(1)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
@ -303,15 +252,15 @@ function getSolverJobName()
|
||||||
character(len=:), allocatable :: getSolverJobName
|
character(len=:), allocatable :: getSolverJobName
|
||||||
integer :: posExt,posSep
|
integer :: posExt,posSep
|
||||||
|
|
||||||
posExt = scan(geometryFile,'.',back=.true.)
|
posExt = scan(interface_geomFile,'.',back=.true.)
|
||||||
posSep = scan(geometryFile,'/',back=.true.)
|
posSep = scan(interface_geomFile,'/',back=.true.)
|
||||||
|
|
||||||
getSolverJobName = geometryFile(posSep+1:posExt-1)
|
getSolverJobName = interface_geomFile(posSep+1:posExt-1)
|
||||||
|
|
||||||
posExt = scan(loadCaseFile,'.',back=.true.)
|
posExt = scan(interface_loadFile,'.',back=.true.)
|
||||||
posSep = scan(loadCaseFile,'/',back=.true.)
|
posSep = scan(interface_loadFile,'/',back=.true.)
|
||||||
|
|
||||||
getSolverJobName = getSolverJobName//'_'//loadCaseFile(posSep+1:posExt-1)
|
getSolverJobName = getSolverJobName//'_'//interface_loadFile(posSep+1:posExt-1)
|
||||||
|
|
||||||
end function getSolverJobName
|
end function getSolverJobName
|
||||||
|
|
||||||
|
@ -332,7 +281,7 @@ function getGeometryFile(geometryParameter)
|
||||||
|
|
||||||
inquire(file=getGeometryFile, exist=file_exists)
|
inquire(file=getGeometryFile, exist=file_exists)
|
||||||
if (.not. file_exists) then
|
if (.not. file_exists) then
|
||||||
write(6,'(/,a)') ' ERROR: Geometry file does not exists ('//trim(getGeometryFile)//')'
|
print*, 'ERROR: Geometry file does not exists: '//trim(getGeometryFile)
|
||||||
call quit(1)
|
call quit(1)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
@ -355,7 +304,7 @@ function getLoadCaseFile(loadCaseParameter)
|
||||||
|
|
||||||
inquire(file=getLoadCaseFile, exist=file_exists)
|
inquire(file=getLoadCaseFile, exist=file_exists)
|
||||||
if (.not. file_exists) then
|
if (.not. file_exists) then
|
||||||
write(6,'(/,a)') ' ERROR: Load case file does not exists ('//trim(getLoadCaseFile)//')'
|
print*, 'ERROR: Load case file does not exists: '//trim(getLoadCaseFile)
|
||||||
call quit(1)
|
call quit(1)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
@ -438,75 +387,78 @@ end function makeRelativePath
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGTERM to .true.
|
!> @brief Set global variable interface_SIGTERM to .true.
|
||||||
|
!> @details This function can be registered to catch signals send to the executable.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine catchSIGTERM(signal) bind(C)
|
subroutine catchSIGTERM(signal) bind(C)
|
||||||
|
|
||||||
integer(C_INT), value :: signal
|
integer(C_INT), value :: signal
|
||||||
SIGTERM = .true.
|
interface_SIGTERM = .true.
|
||||||
|
|
||||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGTERM'
|
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGTERM=TRUE'
|
||||||
|
|
||||||
end subroutine catchSIGTERM
|
end subroutine catchSIGTERM
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGTERM
|
!> @brief Set global variable interface_SIGTERM.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine setSIGTERM(state)
|
subroutine interface_setSIGTERM(state)
|
||||||
|
|
||||||
logical, intent(in) :: state
|
logical, intent(in) :: state
|
||||||
SIGTERM = state
|
interface_SIGTERM = state
|
||||||
|
|
||||||
end subroutine setSIGTERM
|
end subroutine interface_setSIGTERM
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGUSR1 to .true.
|
!> @brief Set global variable interface_SIGUSR1 to .true.
|
||||||
|
!> @details This function can be registered to catch signals send to the executable.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine catchSIGUSR1(signal) bind(C)
|
subroutine catchSIGUSR1(signal) bind(C)
|
||||||
|
|
||||||
integer(C_INT), value :: signal
|
integer(C_INT), value :: signal
|
||||||
SIGUSR1 = .true.
|
interface_SIGUSR1 = .true.
|
||||||
|
|
||||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR1'
|
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR1=TRUE'
|
||||||
|
|
||||||
end subroutine catchSIGUSR1
|
end subroutine catchSIGUSR1
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGUSR1
|
!> @brief Set global variable interface_SIGUSR.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine setSIGUSR1(state)
|
subroutine interface_setSIGUSR1(state)
|
||||||
|
|
||||||
logical, intent(in) :: state
|
logical, intent(in) :: state
|
||||||
SIGUSR1 = state
|
interface_SIGUSR1 = state
|
||||||
|
|
||||||
end subroutine setSIGUSR1
|
end subroutine interface_setSIGUSR1
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
|
!> @brief Set global variable interface_SIGUSR2 to .true.
|
||||||
|
!> @details This function can be registered to catch signals send to the executable.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine catchSIGUSR2(signal) bind(C)
|
subroutine catchSIGUSR2(signal) bind(C)
|
||||||
|
|
||||||
integer(C_INT), value :: signal
|
integer(C_INT), value :: signal
|
||||||
SIGUSR2 = .true.
|
interface_SIGUSR2 = .true.
|
||||||
|
|
||||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR2'
|
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR2=TRUE'
|
||||||
|
|
||||||
end subroutine catchSIGUSR2
|
end subroutine catchSIGUSR2
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief sets global variable SIGUSR2
|
!> @brief Set global variable interface_SIGUSR2.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine setSIGUSR2(state)
|
subroutine interface_setSIGUSR2(state)
|
||||||
|
|
||||||
logical, intent(in) :: state
|
logical, intent(in) :: state
|
||||||
SIGUSR2 = state
|
interface_SIGUSR2 = state
|
||||||
|
|
||||||
end subroutine setSIGUSR2
|
end subroutine interface_setSIGUSR2
|
||||||
|
|
||||||
|
|
||||||
end module
|
end module
|
||||||
|
|
|
@ -42,7 +42,6 @@ module DAMASK_interface
|
||||||
|
|
||||||
logical, protected, public :: symmetricSolver
|
logical, protected, public :: symmetricSolver
|
||||||
character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
|
character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
|
||||||
|
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
DAMASK_interface_init, &
|
DAMASK_interface_init, &
|
||||||
|
@ -278,7 +277,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
||||||
if (.not. CPFEM_init_done) then
|
if (.not. CPFEM_init_done) then
|
||||||
CPFEM_init_done = .true.
|
CPFEM_init_done = .true.
|
||||||
call CPFEM_initAll
|
call CPFEM_initAll
|
||||||
debug_Marc => debug_root%get('marc',defaultVal=emptyList)
|
debug_Marc => config_debug%get('marc',defaultVal=emptyList)
|
||||||
debug_basic = debug_Marc%contains('basic')
|
debug_basic = debug_Marc%contains('basic')
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
|
@ -11,9 +11,9 @@ module HDF5_utilities
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use rotations
|
use rotations
|
||||||
use config
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
public
|
public
|
||||||
|
@ -98,12 +98,12 @@ subroutine HDF5_utilities_init
|
||||||
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
|
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
|
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
|
||||||
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
|
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
|
||||||
call IO_error(0,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
|
error stop 'Default integer size does not match H5T_NATIVE_INTEGER'
|
||||||
|
|
||||||
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
|
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
|
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
|
||||||
if (int(storage_size(0.0_pReal),SIZE_T)/=typeSize*8) &
|
if (int(storage_size(0.0_pReal),SIZE_T)/=typeSize*8) &
|
||||||
call IO_error(0,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
|
error stop 'pReal does not match H5T_NATIVE_DOUBLE'
|
||||||
|
|
||||||
end subroutine HDF5_utilities_init
|
end subroutine HDF5_utilities_init
|
||||||
|
|
||||||
|
|
151
src/IO.f90
151
src/IO.f90
|
@ -22,19 +22,11 @@ module IO
|
||||||
'───────────────────'//&
|
'───────────────────'//&
|
||||||
'────────────'
|
'────────────'
|
||||||
|
|
||||||
! Obsolete alias
|
|
||||||
interface IO_read_ASCII
|
|
||||||
module procedure IO_readlines
|
|
||||||
end interface IO_read_ASCII
|
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
IO_init, &
|
IO_init, &
|
||||||
IO_read, &
|
IO_read, &
|
||||||
IO_readlines, &
|
IO_readlines, &
|
||||||
IO_read_ASCII, &
|
|
||||||
IO_open_binary, &
|
|
||||||
IO_isBlank, &
|
IO_isBlank, &
|
||||||
IO_getTag, &
|
|
||||||
IO_stringPos, &
|
IO_stringPos, &
|
||||||
IO_stringValue, &
|
IO_stringValue, &
|
||||||
IO_intValue, &
|
IO_intValue, &
|
||||||
|
@ -51,7 +43,7 @@ contains
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief do self test
|
!> @brief Do self test.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine IO_init
|
subroutine IO_init
|
||||||
|
|
||||||
|
@ -63,7 +55,7 @@ end subroutine IO_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief read ASCII file and split at EOL
|
!> @brief Read ASCII file and split at EOL.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function IO_readlines(fileName) result(fileContent)
|
function IO_readlines(fileName) result(fileContent)
|
||||||
|
|
||||||
|
@ -114,7 +106,7 @@ end function IO_readlines
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief read ASCII file into a string
|
!> @brief Read whole file.
|
||||||
!> @details ensures that the string ends with a new line (expected UNIX behavior)
|
!> @details ensures that the string ends with a new line (expected UNIX behavior)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function IO_read(fileName) result(fileContent)
|
function IO_read(fileName) result(fileContent)
|
||||||
|
@ -146,40 +138,7 @@ end function IO_read
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief opens an existing file for reading or a new file for writing.
|
!> @brief Identifiy strings without content.
|
||||||
!> @details replaces an existing file when writing
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
integer function IO_open_binary(fileName,mode)
|
|
||||||
|
|
||||||
character(len=*), intent(in) :: fileName
|
|
||||||
character, intent(in), optional :: mode
|
|
||||||
|
|
||||||
character :: m
|
|
||||||
integer :: ierr
|
|
||||||
|
|
||||||
if (present(mode)) then
|
|
||||||
m = mode
|
|
||||||
else
|
|
||||||
m = 'r'
|
|
||||||
endif
|
|
||||||
|
|
||||||
if (m == 'w') then
|
|
||||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
|
||||||
status='replace',access='stream',action='write',iostat=ierr)
|
|
||||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (w): '//trim(fileName))
|
|
||||||
elseif(m == 'r') then
|
|
||||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
|
||||||
status='old', access='stream',action='read', iostat=ierr)
|
|
||||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (r): '//trim(fileName))
|
|
||||||
else
|
|
||||||
call IO_error(100,ext_msg='unknown access mode: '//m)
|
|
||||||
endif
|
|
||||||
|
|
||||||
end function IO_open_binary
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief identifies strings without content
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
logical pure function IO_isBlank(string)
|
logical pure function IO_isBlank(string)
|
||||||
|
|
||||||
|
@ -194,34 +153,8 @@ end function IO_isBlank
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief get tagged content of string
|
!> @brief Locate all whitespace-separated chunks in given string and returns array containing
|
||||||
!--------------------------------------------------------------------------------------------------
|
!! number them and the left/right position to be used by IO_xxxVal.
|
||||||
pure function IO_getTag(string,openChar,closeChar)
|
|
||||||
|
|
||||||
character(len=*), intent(in) :: string !< string to check for tag
|
|
||||||
character, intent(in) :: openChar, & !< indicates beginning of tag
|
|
||||||
closeChar !< indicates end of tag
|
|
||||||
character(len=:), allocatable :: IO_getTag
|
|
||||||
|
|
||||||
integer :: left,right
|
|
||||||
|
|
||||||
left = scan(string,openChar)
|
|
||||||
right = merge(scan(string,closeChar), &
|
|
||||||
left + merge(scan(string(left+1:),openChar),0,len(string) > left), &
|
|
||||||
openChar /= closeChar)
|
|
||||||
|
|
||||||
foundTag: if (left == verify(string,IO_WHITESPACE) .and. right > left) then
|
|
||||||
IO_getTag = string(left+1:right-1)
|
|
||||||
else foundTag
|
|
||||||
IO_getTag = ''
|
|
||||||
endif foundTag
|
|
||||||
|
|
||||||
end function IO_getTag
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief locates all whitespace-separated chunks in given string and returns array containing
|
|
||||||
!! number them and the left/right position to be used by IO_xxxVal
|
|
||||||
!! Array size is dynamically adjusted to number of chunks found in string
|
!! Array size is dynamically adjusted to number of chunks found in string
|
||||||
!! IMPORTANT: first element contains number of chunks!
|
!! IMPORTANT: first element contains number of chunks!
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -251,7 +184,7 @@ end function IO_stringPos
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads string value at myChunk from string
|
!> @brief Read string value at myChunk from string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function IO_stringValue(string,chunkPos,myChunk)
|
function IO_stringValue(string,chunkPos,myChunk)
|
||||||
|
|
||||||
|
@ -271,7 +204,7 @@ end function IO_stringValue
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads integer value at myChunk from string
|
!> @brief Read integer value at myChunk from string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
integer function IO_intValue(string,chunkPos,myChunk)
|
integer function IO_intValue(string,chunkPos,myChunk)
|
||||||
|
|
||||||
|
@ -285,7 +218,7 @@ end function IO_intValue
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads float value at myChunk from string
|
!> @brief Read float value at myChunk from string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
real(pReal) function IO_floatValue(string,chunkPos,myChunk)
|
real(pReal) function IO_floatValue(string,chunkPos,myChunk)
|
||||||
|
|
||||||
|
@ -299,7 +232,7 @@ end function IO_floatValue
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief changes characters in string to lower case
|
!> @brief Convert characters in string to lower case.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function IO_lc(string)
|
pure function IO_lc(string)
|
||||||
|
|
||||||
|
@ -324,7 +257,7 @@ end function IO_lc
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! @brief Remove comments (characters beyond '#') and trailing space
|
! @brief Remove comments (characters beyond '#') and trailing space.
|
||||||
! ToDo: Discuss name (the trim aspect is not clear)
|
! ToDo: Discuss name (the trim aspect is not clear)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function IO_rmComment(line)
|
function IO_rmComment(line)
|
||||||
|
@ -345,7 +278,7 @@ end function IO_rmComment
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief return verified integer value in given string
|
!> @brief Return integer value from given string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
integer function IO_stringAsInt(string)
|
integer function IO_stringAsInt(string)
|
||||||
|
|
||||||
|
@ -366,7 +299,7 @@ end function IO_stringAsInt
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief return verified float value in given string
|
!> @brief Return float value from given string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
real(pReal) function IO_stringAsFloat(string)
|
real(pReal) function IO_stringAsFloat(string)
|
||||||
|
|
||||||
|
@ -387,7 +320,7 @@ end function IO_stringAsFloat
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief return verified logical value in given string
|
!> @brief Return logical value from given string.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
logical function IO_stringAsBool(string)
|
logical function IO_stringAsBool(string)
|
||||||
|
|
||||||
|
@ -406,7 +339,7 @@ end function IO_stringAsBool
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
|
!> @brief Write error statements to standard out and terminate the run with exit #9xxx
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||||
|
|
||||||
|
@ -635,7 +568,7 @@ end subroutine IO_error
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief writes warning statement to standard out
|
!> @brief Write warning statement to standard out.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
|
subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
|
||||||
|
|
||||||
|
@ -717,56 +650,56 @@ end subroutine IO_warning
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief check correctness of some IO functions
|
!> @brief Check correctness of some IO functions.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine selfTest
|
subroutine selfTest
|
||||||
|
|
||||||
integer, dimension(:), allocatable :: chunkPos
|
integer, dimension(:), allocatable :: chunkPos
|
||||||
character(len=:), allocatable :: str
|
character(len=:), allocatable :: str
|
||||||
|
|
||||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) error stop 'IO_stringAsFloat'
|
||||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) error stop 'IO_stringAsFloat'
|
||||||
if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) error stop 'IO_stringAsFloat'
|
||||||
|
|
||||||
if(3112019 /= IO_stringAsInt( '3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
if(3112019 /= IO_stringAsInt( '3112019')) error stop 'IO_stringAsInt'
|
||||||
if(3112019 /= IO_stringAsInt(' 3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
if(3112019 /= IO_stringAsInt(' 3112019')) error stop 'IO_stringAsInt'
|
||||||
if(-3112019 /= IO_stringAsInt('-3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
if(-3112019 /= IO_stringAsInt('-3112019')) error stop 'IO_stringAsInt'
|
||||||
if(3112019 /= IO_stringAsInt('+3112019 ')) call IO_error(0,ext_msg='IO_stringAsInt')
|
if(3112019 /= IO_stringAsInt('+3112019 ')) error stop 'IO_stringAsInt'
|
||||||
|
|
||||||
if(.not. IO_stringAsBool(' true')) call IO_error(0,ext_msg='IO_stringAsBool')
|
if(.not. IO_stringAsBool(' true')) error stop 'IO_stringAsBool'
|
||||||
if(.not. IO_stringAsBool(' True ')) call IO_error(0,ext_msg='IO_stringAsBool')
|
if(.not. IO_stringAsBool(' True ')) error stop 'IO_stringAsBool'
|
||||||
if( IO_stringAsBool(' false')) call IO_error(0,ext_msg='IO_stringAsBool')
|
if( IO_stringAsBool(' false')) error stop 'IO_stringAsBool'
|
||||||
if( IO_stringAsBool('False')) call IO_error(0,ext_msg='IO_stringAsBool')
|
if( IO_stringAsBool('False')) error stop 'IO_stringAsBool'
|
||||||
|
|
||||||
if(any([1,1,1] /= IO_stringPos('a'))) call IO_error(0,ext_msg='IO_stringPos')
|
if(any([1,1,1] /= IO_stringPos('a'))) error stop 'IO_stringPos'
|
||||||
if(any([2,2,3,5,5] /= IO_stringPos(' aa b'))) call IO_error(0,ext_msg='IO_stringPos')
|
if(any([2,2,3,5,5] /= IO_stringPos(' aa b'))) error stop 'IO_stringPos'
|
||||||
|
|
||||||
str=' 1.0 xxx'
|
str=' 1.0 xxx'
|
||||||
chunkPos = IO_stringPos(str)
|
chunkPos = IO_stringPos(str)
|
||||||
if(dNeq(1.0_pReal,IO_floatValue(str,chunkPos,1))) call IO_error(0,ext_msg='IO_floatValue')
|
if(dNeq(1.0_pReal,IO_floatValue(str,chunkPos,1))) error stop 'IO_floatValue'
|
||||||
|
|
||||||
str='M 3112019 F'
|
str='M 3112019 F'
|
||||||
chunkPos = IO_stringPos(str)
|
chunkPos = IO_stringPos(str)
|
||||||
if(3112019 /= IO_intValue(str,chunkPos,2)) call IO_error(0,ext_msg='IO_intValue')
|
if(3112019 /= IO_intValue(str,chunkPos,2)) error stop 'IO_intValue'
|
||||||
|
|
||||||
if(.not. IO_isBlank(' ')) call IO_error(0,ext_msg='IO_isBlank/1')
|
if(.not. IO_isBlank(' ')) error stop 'IO_isBlank/1'
|
||||||
if(.not. IO_isBlank(' #isBlank')) call IO_error(0,ext_msg='IO_isBlank/2')
|
if(.not. IO_isBlank(' #isBlank')) error stop 'IO_isBlank/2'
|
||||||
if( IO_isBlank(' i#s')) call IO_error(0,ext_msg='IO_isBlank/3')
|
if( IO_isBlank(' i#s')) error stop 'IO_isBlank/3'
|
||||||
|
|
||||||
str = IO_rmComment('#')
|
str = IO_rmComment('#')
|
||||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/1')
|
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/1'
|
||||||
str = IO_rmComment(' #')
|
str = IO_rmComment(' #')
|
||||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/2')
|
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/2'
|
||||||
str = IO_rmComment(' # ')
|
str = IO_rmComment(' # ')
|
||||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/3')
|
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/3'
|
||||||
str = IO_rmComment(' # a')
|
str = IO_rmComment(' # a')
|
||||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/4')
|
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/4'
|
||||||
str = IO_rmComment(' # a')
|
str = IO_rmComment(' # a')
|
||||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/5')
|
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/5'
|
||||||
str = IO_rmComment(' a#')
|
str = IO_rmComment(' a#')
|
||||||
if (str /= ' a' .or. len(str) /= 2) call IO_error(0,ext_msg='IO_rmComment/6')
|
if (str /= ' a' .or. len(str) /= 2) error stop 'IO_rmComment/6'
|
||||||
str = IO_rmComment(' ab #')
|
str = IO_rmComment(' ab #')
|
||||||
if (str /= ' ab'.or. len(str) /= 3) call IO_error(0,ext_msg='IO_rmComment/7')
|
if (str /= ' ab'.or. len(str) /= 3) error stop 'IO_rmComment/7'
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
||||||
|
|
|
@ -11,27 +11,39 @@ module YAML_parse
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
YAML_init, &
|
YAML_parse_init, &
|
||||||
parse_flow, &
|
YAML_parse_file
|
||||||
to_flow
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief do sanity checks
|
!> @brief Do sanity checks.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine YAML_init
|
subroutine YAML_parse_init
|
||||||
|
|
||||||
call selfTest
|
call selfTest
|
||||||
|
|
||||||
end subroutine YAML_init
|
end subroutine YAML_parse_init
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief Parse a YAML file into a a structure of nodes.
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
function YAML_parse_file(fname) result(node)
|
||||||
|
|
||||||
|
character(len=*), intent(in) :: fname
|
||||||
|
class (tNode), pointer :: node
|
||||||
|
|
||||||
|
node => parse_flow(to_flow(IO_read(fname)))
|
||||||
|
|
||||||
|
end function YAML_parse_file
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads the flow style string and stores it in the form of dictionaries, lists and scalars.
|
!> @brief reads the flow style string and stores it in the form of dictionaries, lists and scalars.
|
||||||
!> @details A node type pointer can either point to a dictionary, list or scalar type entities.
|
!> @details A node type pointer can either point to a dictionary, list or scalar type entities.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
recursive function parse_flow(YAML_flow) result(node)
|
recursive function parse_flow(YAML_flow) result(node)
|
||||||
|
|
||||||
|
@ -47,7 +59,7 @@ recursive function parse_flow(YAML_flow) result(node)
|
||||||
e, & ! end position of dictionary or list
|
e, & ! end position of dictionary or list
|
||||||
s, & ! start position of dictionary or list
|
s, & ! start position of dictionary or list
|
||||||
d ! position of key: value separator (':')
|
d ! position of key: value separator (':')
|
||||||
|
|
||||||
flow_string = trim(adjustl(YAML_flow(:)))
|
flow_string = trim(adjustl(YAML_flow(:)))
|
||||||
if (len_trim(flow_string) == 0) then
|
if (len_trim(flow_string) == 0) then
|
||||||
node => emptyDict
|
node => emptyDict
|
||||||
|
@ -57,12 +69,12 @@ recursive function parse_flow(YAML_flow) result(node)
|
||||||
allocate(tDict::node)
|
allocate(tDict::node)
|
||||||
do while (e < len_trim(flow_string))
|
do while (e < len_trim(flow_string))
|
||||||
s = e
|
s = e
|
||||||
d = s + scan(flow_string(s+1:),':')
|
d = s + scan(flow_string(s+1:),':')
|
||||||
e = d + find_end(flow_string(d+1:),'}')
|
e = d + find_end(flow_string(d+1:),'}')
|
||||||
|
|
||||||
key = trim(adjustl(flow_string(s+1:d-1)))
|
key = trim(adjustl(flow_string(s+1:d-1)))
|
||||||
myVal => parse_flow(flow_string(d+1:e-1)) ! parse items (recursively)
|
myVal => parse_flow(flow_string(d+1:e-1)) ! parse items (recursively)
|
||||||
|
|
||||||
select type (node)
|
select type (node)
|
||||||
class is (tDict)
|
class is (tDict)
|
||||||
call node%set(key,myVal)
|
call node%set(key,myVal)
|
||||||
|
@ -208,7 +220,7 @@ logical function isKey(line)
|
||||||
if(len(IO_rmComment(line)) == 0) then
|
if(len(IO_rmComment(line)) == 0) then
|
||||||
isKey = .false.
|
isKey = .false.
|
||||||
else
|
else
|
||||||
isKey = IO_rmComment(line(len(IO_rmComment(line)):len(IO_rmComment(line)))) == ':' &
|
isKey = IO_rmComment(line(len(IO_rmComment(line)):len(IO_rmComment(line)))) == ':' &
|
||||||
.and. .not. isFlow(line)
|
.and. .not. isFlow(line)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
@ -224,19 +236,19 @@ recursive subroutine line_isFlow(flow,s_flow,line)
|
||||||
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
||||||
integer, intent(inout) :: s_flow !< start position in flow
|
integer, intent(inout) :: s_flow !< start position in flow
|
||||||
character(len=*), intent(in) :: line
|
character(len=*), intent(in) :: line
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
s, &
|
s, &
|
||||||
list_chunk, &
|
list_chunk, &
|
||||||
dict_chunk
|
dict_chunk
|
||||||
|
|
||||||
if(index(adjustl(line),'[') == 1) then
|
if(index(adjustl(line),'[') == 1) then
|
||||||
s = index(line,'[')
|
s = index(line,'[')
|
||||||
flow(s_flow:s_flow) = '['
|
flow(s_flow:s_flow) = '['
|
||||||
s_flow = s_flow +1
|
s_flow = s_flow +1
|
||||||
do while(s < len_trim(line))
|
do while(s < len_trim(line))
|
||||||
list_chunk = s + find_end(line(s+1:),']')
|
list_chunk = s + find_end(line(s+1:),']')
|
||||||
if(iskeyValue(line(s+1:list_chunk-1))) then
|
if(iskeyValue(line(s+1:list_chunk-1))) then
|
||||||
flow(s_flow:s_flow) = '{'
|
flow(s_flow:s_flow) = '{'
|
||||||
s_flow = s_flow +1
|
s_flow = s_flow +1
|
||||||
call keyValue_toFlow(flow,s_flow,line(s+1:list_chunk-1))
|
call keyValue_toFlow(flow,s_flow,line(s+1:list_chunk-1))
|
||||||
|
@ -252,10 +264,10 @@ recursive subroutine line_isFlow(flow,s_flow,line)
|
||||||
s = s + find_end(line(s+1:),']')
|
s = s + find_end(line(s+1:),']')
|
||||||
enddo
|
enddo
|
||||||
s_flow = s_flow - 1
|
s_flow = s_flow - 1
|
||||||
if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1
|
if (flow(s_flow-1:s_flow-1) == ',') s_flow = s_flow - 1
|
||||||
flow(s_flow:s_flow) = ']'
|
flow(s_flow:s_flow) = ']'
|
||||||
s_flow = s_flow+1
|
s_flow = s_flow+1
|
||||||
|
|
||||||
elseif(index(adjustl(line),'{') == 1) then
|
elseif(index(adjustl(line),'{') == 1) then
|
||||||
s = index(line,'{')
|
s = index(line,'{')
|
||||||
flow(s_flow:s_flow) = '{'
|
flow(s_flow:s_flow) = '{'
|
||||||
|
@ -275,21 +287,21 @@ recursive subroutine line_isFlow(flow,s_flow,line)
|
||||||
else
|
else
|
||||||
call line_toFlow(flow,s_flow,line)
|
call line_toFlow(flow,s_flow,line)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end subroutine line_isFlow
|
end subroutine line_isFlow
|
||||||
|
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! @brief reads a line of YAML block of type <key>: <value> and places it in the YAML flow style structure
|
! @brief reads a line of YAML block of type <key>: <value> and places it in the YAML flow style structure
|
||||||
! @details Makes sure that the <value> is consistent with the input required in DAMASK YAML parser
|
! @details Makes sure that the <value> is consistent with the input required in DAMASK YAML parser
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
recursive subroutine keyValue_toFlow(flow,s_flow,line)
|
recursive subroutine keyValue_toFlow(flow,s_flow,line)
|
||||||
|
|
||||||
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
||||||
integer, intent(inout) :: s_flow !< start position in flow
|
integer, intent(inout) :: s_flow !< start position in flow
|
||||||
character(len=*), intent(in) :: line
|
character(len=*), intent(in) :: line
|
||||||
|
|
||||||
character(len=:), allocatable :: line_asStandard ! standard form of <key>: <value>
|
character(len=:), allocatable :: line_asStandard ! standard form of <key>: <value>
|
||||||
integer :: &
|
integer :: &
|
||||||
d_flow, &
|
d_flow, &
|
||||||
col_pos, &
|
col_pos, &
|
||||||
|
@ -318,7 +330,7 @@ subroutine line_toFlow(flow,s_flow,line)
|
||||||
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
character(len=*), intent(inout) :: flow !< YAML in flow style only
|
||||||
integer, intent(inout) :: s_flow !< start position in flow
|
integer, intent(inout) :: s_flow !< start position in flow
|
||||||
character(len=*), intent(in) :: line
|
character(len=*), intent(in) :: line
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
d_flow
|
d_flow
|
||||||
|
|
||||||
|
@ -398,7 +410,7 @@ recursive subroutine lst(blck,flow,s_blck,s_flow,offset)
|
||||||
|
|
||||||
if(isScalar(line) .or. isFlow(line)) then
|
if(isScalar(line) .or. isFlow(line)) then
|
||||||
flow(s_flow:s_flow+1) = ', '
|
flow(s_flow:s_flow+1) = ', '
|
||||||
s_flow = s_flow +2
|
s_flow = s_flow + 2
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end do
|
end do
|
||||||
|
@ -441,7 +453,7 @@ recursive subroutine dct(blck,flow,s_blck,s_flow,offset)
|
||||||
elseif(indentDepth(line,offset) < indent) then
|
elseif(indentDepth(line,offset) < indent) then
|
||||||
if(isScalar(line) .or. isFlow(line) .and. previous_isKey) &
|
if(isScalar(line) .or. isFlow(line) .and. previous_isKey) &
|
||||||
call IO_error(701,ext_msg=line)
|
call IO_error(701,ext_msg=line)
|
||||||
offset = 0
|
offset = 0
|
||||||
exit ! job done (lower level)
|
exit ! job done (lower level)
|
||||||
elseif(indentDepth(line,offset) > indent .or. isListItem(line)) then
|
elseif(indentDepth(line,offset) > indent .or. isListItem(line)) then
|
||||||
offset = 0
|
offset = 0
|
||||||
|
@ -455,20 +467,20 @@ recursive subroutine dct(blck,flow,s_blck,s_flow,offset)
|
||||||
flow(s_flow-1:s_flow) = ', '
|
flow(s_flow-1:s_flow) = ', '
|
||||||
s_flow = s_flow + 1
|
s_flow = s_flow + 1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if(isKeyValue(line)) then
|
if(isKeyValue(line)) then
|
||||||
call keyValue_toFlow(flow,s_flow,line)
|
call keyValue_toFlow(flow,s_flow,line)
|
||||||
else
|
else
|
||||||
call line_toFlow(flow,s_flow,line)
|
call line_toFlow(flow,s_flow,line)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
s_blck = e_blck +2
|
s_blck = e_blck +2
|
||||||
end if
|
end if
|
||||||
|
|
||||||
if(isScalar(line) .or. isKeyValue(line)) then
|
if(isScalar(line) .or. isKeyValue(line)) then
|
||||||
flow(s_flow:s_flow) = ','
|
flow(s_flow:s_flow) = ','
|
||||||
s_flow = s_flow + 1
|
s_flow = s_flow + 1
|
||||||
previous_isKey = .false.
|
previous_isKey = .false.
|
||||||
else
|
else
|
||||||
previous_isKey = .true.
|
previous_isKey = .true.
|
||||||
endif
|
endif
|
||||||
|
@ -540,7 +552,7 @@ function to_flow(blck)
|
||||||
s_flow, & !< start position in flow
|
s_flow, & !< start position in flow
|
||||||
offset, & !< counts leading '- ' in nested lists
|
offset, & !< counts leading '- ' in nested lists
|
||||||
end_line
|
end_line
|
||||||
if(isFlow(blck)) then
|
if(isFlow(blck)) then
|
||||||
to_flow = trim(adjustl(blck))
|
to_flow = trim(adjustl(blck))
|
||||||
else
|
else
|
||||||
allocate(character(len=len(blck)*2)::to_flow)
|
allocate(character(len=len(blck)*2)::to_flow)
|
||||||
|
@ -552,43 +564,45 @@ function to_flow(blck)
|
||||||
to_flow = trim(to_flow(:s_flow-1))
|
to_flow = trim(to_flow(:s_flow-1))
|
||||||
endif
|
endif
|
||||||
end_line = index(to_flow,IO_EOL)
|
end_line = index(to_flow,IO_EOL)
|
||||||
if(end_line > 0) to_flow = to_flow(:end_line-1)
|
if(end_line > 0) to_flow = to_flow(:end_line-1)
|
||||||
|
|
||||||
end function to_flow
|
end function to_flow
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine selfTest()
|
!> @brief Check correctness of some YAML functions.
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine selfTest
|
||||||
|
|
||||||
if (indentDepth(' a') /= 1) call IO_error(0,ext_msg='indentDepth')
|
if (indentDepth(' a') /= 1) error stop 'indentDepth'
|
||||||
if (indentDepth('a') /= 0) call IO_error(0,ext_msg='indentDepth')
|
if (indentDepth('a') /= 0) error stop 'indentDepth'
|
||||||
if (indentDepth('x ') /= 0) call IO_error(0,ext_msg='indentDepth')
|
if (indentDepth('x ') /= 0) error stop 'indentDepth'
|
||||||
|
|
||||||
if ( isFlow(' a')) call IO_error(0,ext_msg='isFLow')
|
if ( isFlow(' a')) error stop 'isFLow'
|
||||||
if (.not. isFlow('{')) call IO_error(0,ext_msg='isFlow')
|
if (.not. isFlow('{')) error stop 'isFlow'
|
||||||
if (.not. isFlow(' [')) call IO_error(0,ext_msg='isFlow')
|
if (.not. isFlow(' [')) error stop 'isFlow'
|
||||||
|
|
||||||
if ( isListItem(' a')) call IO_error(0,ext_msg='isListItem')
|
if ( isListItem(' a')) error stop 'isListItem'
|
||||||
if ( isListItem(' -b')) call IO_error(0,ext_msg='isListItem')
|
if ( isListItem(' -b')) error stop 'isListItem'
|
||||||
if (.not. isListItem('- a ')) call IO_error(0,ext_msg='isListItem')
|
if (.not. isListItem('- a ')) error stop 'isListItem'
|
||||||
if (.not. isListItem('- -a ')) call IO_error(0,ext_msg='isListItem')
|
if (.not. isListItem('- -a ')) error stop 'isListItem'
|
||||||
|
|
||||||
if ( isKeyValue(' a')) call IO_error(0,ext_msg='isKeyValue')
|
if ( isKeyValue(' a')) error stop 'isKeyValue'
|
||||||
if ( isKeyValue(' a: ')) call IO_error(0,ext_msg='isKeyValue')
|
if ( isKeyValue(' a: ')) error stop 'isKeyValue'
|
||||||
if (.not. isKeyValue(' a: b')) call IO_error(0,ext_msg='isKeyValue')
|
if (.not. isKeyValue(' a: b')) error stop 'isKeyValue'
|
||||||
|
|
||||||
if ( isKey(' a')) call IO_error(0,ext_msg='isKey')
|
if ( isKey(' a')) error stop 'isKey'
|
||||||
if ( isKey('{a:b}')) call IO_error(0,ext_msg='isKey')
|
if ( isKey('{a:b}')) error stop 'isKey'
|
||||||
if ( isKey(' a:b')) call IO_error(0,ext_msg='isKey')
|
if ( isKey(' a:b')) error stop 'isKey'
|
||||||
if (.not. isKey(' a: ')) call IO_error(0,ext_msg='isKey')
|
if (.not. isKey(' a: ')) error stop 'isKey'
|
||||||
if (.not. isKey(' a:')) call IO_error(0,ext_msg='isKey')
|
if (.not. isKey(' a:')) error stop 'isKey'
|
||||||
if (.not. isKey(' a: #')) call IO_error(0,ext_msg='isKey')
|
if (.not. isKey(' a: #')) error stop 'isKey'
|
||||||
|
|
||||||
if( isScalar('a: ')) call IO_error(0,ext_msg='isScalar')
|
if( isScalar('a: ')) error stop 'isScalar'
|
||||||
if( isScalar('a: b')) call IO_error(0,ext_msg='isScalar')
|
if( isScalar('a: b')) error stop 'isScalar'
|
||||||
if( isScalar('{a:b}')) call IO_error(0,ext_msg='isScalar')
|
if( isScalar('{a:b}')) error stop 'isScalar'
|
||||||
if( isScalar('- a:')) call IO_error(0,ext_msg='isScalar')
|
if( isScalar('- a:')) error stop 'isScalar'
|
||||||
if(.not. isScalar(' a')) call IO_error(0,ext_msg='isScalar')
|
if(.not. isScalar(' a')) error stop 'isScalar'
|
||||||
|
|
||||||
basic_list: block
|
basic_list: block
|
||||||
character(len=*), parameter :: block_list = &
|
character(len=*), parameter :: block_list = &
|
||||||
|
@ -602,8 +616,8 @@ subroutine selfTest()
|
||||||
character(len=*), parameter :: flow_list = &
|
character(len=*), parameter :: flow_list = &
|
||||||
"[Casablanca, North by Northwest]"
|
"[Casablanca, North by Northwest]"
|
||||||
|
|
||||||
if (.not. to_flow(block_list) == flow_list) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(block_list) == flow_list) error stop 'to_flow'
|
||||||
if (.not. to_flow(block_list_newline) == flow_list) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(block_list_newline) == flow_list) error stop 'to_flow'
|
||||||
end block basic_list
|
end block basic_list
|
||||||
|
|
||||||
basic_dict: block
|
basic_dict: block
|
||||||
|
@ -618,10 +632,10 @@ subroutine selfTest()
|
||||||
character(len=*), parameter :: flow_dict = &
|
character(len=*), parameter :: flow_dict = &
|
||||||
"{aa: Casablanca, bb: North by Northwest}"
|
"{aa: Casablanca, bb: North by Northwest}"
|
||||||
|
|
||||||
if (.not. to_flow(block_dict) == flow_dict) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(block_dict) == flow_dict) error stop 'to_flow'
|
||||||
if (.not. to_flow(block_dict_newline) == flow_dict) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(block_dict_newline) == flow_dict) error stop 'to_flow'
|
||||||
end block basic_dict
|
end block basic_dict
|
||||||
|
|
||||||
basic_flow: block
|
basic_flow: block
|
||||||
character(len=*), parameter :: flow_braces = &
|
character(len=*), parameter :: flow_braces = &
|
||||||
" source: [{param: 1}, {param: 2}, {param: 3}, {param: 4}]"//IO_EOL
|
" source: [{param: 1}, {param: 2}, {param: 3}, {param: 4}]"//IO_EOL
|
||||||
|
@ -629,9 +643,9 @@ subroutine selfTest()
|
||||||
" source: [param: 1, {param: 2}, param: 3, {param: 4}]"//IO_EOL
|
" source: [param: 1, {param: 2}, param: 3, {param: 4}]"//IO_EOL
|
||||||
character(len=*), parameter :: flow = &
|
character(len=*), parameter :: flow = &
|
||||||
"{source: [{param: 1}, {param: 2}, {param: 3}, {param: 4}]}"
|
"{source: [{param: 1}, {param: 2}, {param: 3}, {param: 4}]}"
|
||||||
|
|
||||||
if (.not. to_flow(flow_braces) == flow) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(flow_braces) == flow) error stop 'to_flow'
|
||||||
if (.not. to_flow(flow_mixed_braces) == flow) call IO_error(0,ext_msg='to_flow')
|
if (.not. to_flow(flow_mixed_braces) == flow) error stop 'to_flow'
|
||||||
end block basic_flow
|
end block basic_flow
|
||||||
|
|
||||||
basic_mixed: block
|
basic_mixed: block
|
||||||
|
@ -644,8 +658,8 @@ subroutine selfTest()
|
||||||
" - {param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}"//IO_EOL
|
" - {param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}"//IO_EOL
|
||||||
character(len=*), parameter :: mixed_flow = &
|
character(len=*), parameter :: mixed_flow = &
|
||||||
"{aa: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}, {c: d}], bb: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}]}"
|
"{aa: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}, {c: d}], bb: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}]}"
|
||||||
|
|
||||||
if(.not. to_flow(block_flow) == mixed_flow) call IO_error(0,ext_msg='to_flow')
|
if(.not. to_flow(block_flow) == mixed_flow) error stop 'to_flow'
|
||||||
end block basic_mixed
|
end block basic_mixed
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
|
@ -185,7 +185,7 @@ module YAML_types
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief do sanity checks
|
!> @brief Do sanity checks.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine YAML_types_init
|
subroutine YAML_types_init
|
||||||
|
|
||||||
|
@ -197,7 +197,7 @@ end subroutine YAML_types_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief check correctness of some type bound procedures
|
!> @brief Check correctness of some type bound procedures.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine selfTest
|
subroutine selfTest
|
||||||
|
|
||||||
|
@ -207,11 +207,11 @@ subroutine selfTest
|
||||||
select type(s1)
|
select type(s1)
|
||||||
class is(tScalar)
|
class is(tScalar)
|
||||||
s1 = '1'
|
s1 = '1'
|
||||||
if(s1%asInt() /= 1) call IO_error(0,ext_msg='tScalar_asInt')
|
if(s1%asInt() /= 1) error stop 'tScalar_asInt'
|
||||||
if(dNeq(s1%asFloat(),1.0_pReal)) call IO_error(0,ext_msg='tScalar_asFloat')
|
if(dNeq(s1%asFloat(),1.0_pReal)) error stop 'tScalar_asFloat'
|
||||||
s1 = 'true'
|
s1 = 'true'
|
||||||
if(.not. s1%asBool()) call IO_error(0,ext_msg='tScalar_asBool')
|
if(.not. s1%asBool()) error stop 'tScalar_asBool'
|
||||||
if(s1%asString() /= 'true') call IO_error(0,ext_msg='tScalar_asString')
|
if(s1%asString() /= 'true') error stop 'tScalar_asString'
|
||||||
end select
|
end select
|
||||||
|
|
||||||
block
|
block
|
||||||
|
@ -232,18 +232,18 @@ subroutine selfTest
|
||||||
call l1%append(s1)
|
call l1%append(s1)
|
||||||
call l1%append(s2)
|
call l1%append(s2)
|
||||||
n => l1
|
n => l1
|
||||||
if(any(l1%asInts() /= [2,3])) call IO_error(0,ext_msg='tList_asInts')
|
if(any(l1%asInts() /= [2,3])) error stop 'tList_asInts'
|
||||||
if(any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) call IO_error(0,ext_msg='tList_asFloats')
|
if(any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) error stop 'tList_asFloats'
|
||||||
if(n%get_asInt(1) /= 2) call IO_error(0,ext_msg='byIndex_asInt')
|
if(n%get_asInt(1) /= 2) error stop 'byIndex_asInt'
|
||||||
if(dNeq(n%get_asFloat(2),3.0_pReal)) call IO_error(0,ext_msg='byIndex_asFloat')
|
if(dNeq(n%get_asFloat(2),3.0_pReal)) error stop 'byIndex_asFloat'
|
||||||
endselect
|
endselect
|
||||||
|
|
||||||
allocate(tList::l2)
|
allocate(tList::l2)
|
||||||
select type(l2)
|
select type(l2)
|
||||||
class is(tList)
|
class is(tList)
|
||||||
call l2%append(l1)
|
call l2%append(l1)
|
||||||
if(any(l2%get_asInts(1) /= [2,3])) call IO_error(0,ext_msg='byIndex_asInts')
|
if(any(l2%get_asInts(1) /= [2,3])) error stop 'byIndex_asInts'
|
||||||
if(any(dNeq(l2%get_asFloats(1),[2.0_pReal,3.0_pReal]))) call IO_error(0,ext_msg='byIndex_asFloats')
|
if(any(dNeq(l2%get_asFloats(1),[2.0_pReal,3.0_pReal]))) error stop 'byIndex_asFloats'
|
||||||
n => l2
|
n => l2
|
||||||
end select
|
end select
|
||||||
deallocate(n)
|
deallocate(n)
|
||||||
|
@ -265,10 +265,10 @@ subroutine selfTest
|
||||||
call l1%append(s2)
|
call l1%append(s2)
|
||||||
n => l1
|
n => l1
|
||||||
|
|
||||||
if(any(l1%asBools() .neqv. [.true., .false.])) call IO_error(0,ext_msg='tList_asBools')
|
if(any(l1%asBools() .neqv. [.true., .false.])) error stop 'tList_asBools'
|
||||||
if(any(l1%asStrings() /= ['true ','False'])) call IO_error(0,ext_msg='tList_asStrings')
|
if(any(l1%asStrings() /= ['true ','False'])) error stop 'tList_asStrings'
|
||||||
if(n%get_asBool(2)) call IO_error(0,ext_msg='byIndex_asBool')
|
if(n%get_asBool(2)) error stop 'byIndex_asBool'
|
||||||
if(n%get_asString(1) /= 'true') call IO_error(0,ext_msg='byIndex_asString')
|
if(n%get_asString(1) /= 'true') error stop 'byIndex_asString'
|
||||||
end block
|
end block
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
|
@ -167,59 +167,59 @@ subroutine selfTest
|
||||||
character(len=*), parameter :: zero_to_three = 'AAECAw=='
|
character(len=*), parameter :: zero_to_three = 'AAECAw=='
|
||||||
|
|
||||||
! https://en.wikipedia.org/wiki/Base64#Output_padding
|
! https://en.wikipedia.org/wiki/Base64#Output_padding
|
||||||
if(base64_nChar(20_pI64) /= 28_pI64) call IO_error(0,ext_msg='base64_nChar/20/28')
|
if(base64_nChar(20_pI64) /= 28_pI64) error stop 'base64_nChar/20/28'
|
||||||
if(base64_nChar(19_pI64) /= 28_pI64) call IO_error(0,ext_msg='base64_nChar/19/28')
|
if(base64_nChar(19_pI64) /= 28_pI64) error stop 'base64_nChar/19/28'
|
||||||
if(base64_nChar(18_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/18/24')
|
if(base64_nChar(18_pI64) /= 24_pI64) error stop 'base64_nChar/18/24'
|
||||||
if(base64_nChar(17_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/17/24')
|
if(base64_nChar(17_pI64) /= 24_pI64) error stop 'base64_nChar/17/24'
|
||||||
if(base64_nChar(16_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/16/24')
|
if(base64_nChar(16_pI64) /= 24_pI64) error stop 'base64_nChar/16/24'
|
||||||
|
|
||||||
if(base64_nByte(4_pI64) /= 3_pI64) call IO_error(0,ext_msg='base64_nByte/4/3')
|
if(base64_nByte(4_pI64) /= 3_pI64) error stop 'base64_nByte/4/3'
|
||||||
if(base64_nByte(8_pI64) /= 6_pI64) call IO_error(0,ext_msg='base64_nByte/8/6')
|
if(base64_nByte(8_pI64) /= 6_pI64) error stop 'base64_nByte/8/6'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three)
|
bytes = base64_to_bytes(zero_to_three)
|
||||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes//')
|
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes//'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,e=1_pI64)
|
bytes = base64_to_bytes(zero_to_three,e=1_pI64)
|
||||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes//1')
|
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes//1'
|
||||||
bytes = base64_to_bytes(zero_to_three,e=2_pI64)
|
bytes = base64_to_bytes(zero_to_three,e=2_pI64)
|
||||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes//2')
|
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes//2'
|
||||||
bytes = base64_to_bytes(zero_to_three,e=3_pI64)
|
bytes = base64_to_bytes(zero_to_three,e=3_pI64)
|
||||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes//3')
|
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes//3'
|
||||||
bytes = base64_to_bytes(zero_to_three,e=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,e=4_pI64)
|
||||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes//4')
|
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes//4'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=1_pI64)
|
||||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes/1/')
|
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes/1/'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=2_pI64)
|
||||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/2/')
|
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/2/'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=3_pI64)
|
||||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/3/')
|
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/3/'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=4_pI64)
|
||||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/4/')
|
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/4/'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=1_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=1_pI64)
|
||||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/1/1')
|
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/1/1'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=2_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=2_pI64)
|
||||||
if(any(bytes /= int([1],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/2/2')
|
if(any(bytes /= int([1],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/2/2'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=3_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=3_pI64)
|
||||||
if(any(bytes /= int([2],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/3/3')
|
if(any(bytes /= int([2],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/3/3'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=4_pI64,e=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=4_pI64,e=4_pI64)
|
||||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/4/4')
|
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/4/4'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=2_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=2_pI64)
|
||||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/1/2')
|
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/1/2'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=3_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=3_pI64)
|
||||||
if(any(bytes /= int([1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/2/3')
|
if(any(bytes /= int([1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/2/3'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=4_pI64)
|
||||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/3/4')
|
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/3/4'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=3_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=3_pI64)
|
||||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/1/3')
|
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/1/3'
|
||||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=4_pI64)
|
||||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/2/4')
|
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/2/4'
|
||||||
|
|
||||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=4_pI64)
|
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=4_pI64)
|
||||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes/1/4')
|
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes/1/4'
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
||||||
|
|
|
@ -3,6 +3,7 @@
|
||||||
!> @brief all DAMASK files without solver
|
!> @brief all DAMASK files without solver
|
||||||
!> @details List of files needed by MSC.Marc
|
!> @details List of files needed by MSC.Marc
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
#include "parallelization.f90"
|
||||||
#include "IO.f90"
|
#include "IO.f90"
|
||||||
#include "YAML_types.f90"
|
#include "YAML_types.f90"
|
||||||
#include "YAML_parse.f90"
|
#include "YAML_parse.f90"
|
||||||
|
|
|
@ -2,7 +2,7 @@
|
||||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @brief Reads in the material, numerics & debug configuration from their respective file
|
!> @brief Reads in the material, numerics & debug configuration from their respective file
|
||||||
!> @details Reads the material configuration file, where solverJobName.yaml takes
|
!> @details Reads the material configuration file, where solverJobName.yaml takes
|
||||||
!! precedence over material.yaml.
|
!! precedence over material.yaml.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module config
|
module config
|
||||||
use prec
|
use prec
|
||||||
|
@ -15,22 +15,14 @@ module config
|
||||||
#include <petsc/finclude/petscsys.h>
|
#include <petsc/finclude/petscsys.h>
|
||||||
use petscsys
|
use petscsys
|
||||||
#endif
|
#endif
|
||||||
!$ use OMP_LIB
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
|
||||||
class(tNode), pointer, public :: &
|
class(tNode), pointer, public :: &
|
||||||
material_root, &
|
config_material, &
|
||||||
numerics_root, &
|
config_numerics, &
|
||||||
debug_root
|
config_debug
|
||||||
|
|
||||||
integer, protected, public :: &
|
|
||||||
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
|
|
||||||
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
|
|
||||||
integer(4), protected, public :: &
|
|
||||||
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
|
||||||
|
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
config_init, &
|
config_init, &
|
||||||
|
@ -39,27 +31,26 @@ module config
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief calls subroutines that reads material, numerics and debug configuration files
|
!> @brief Real *.yaml configuration files.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine config_init
|
subroutine config_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- config init -+>>>'; flush(6)
|
print'(/,a)', ' <<<+- config init -+>>>'; flush(6)
|
||||||
|
|
||||||
call parse_material
|
call parse_material
|
||||||
call parse_numerics
|
call parse_numerics
|
||||||
call parse_debug
|
call parse_debug
|
||||||
|
|
||||||
|
|
||||||
end subroutine config_init
|
end subroutine config_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads material.yaml
|
!> @brief Read material.yaml or <jobname>.yaml.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine parse_material
|
subroutine parse_material
|
||||||
|
|
||||||
logical :: fileExists
|
logical :: fileExists
|
||||||
character(len=:), allocatable :: fname,flow
|
character(len=:), allocatable :: fname
|
||||||
|
|
||||||
fname = getSolverJobName()//'.yaml'
|
fname = getSolverJobName()//'.yaml'
|
||||||
inquire(file=fname,exist=fileExists)
|
inquire(file=fname,exist=fileExists)
|
||||||
|
@ -68,88 +59,54 @@ subroutine parse_material
|
||||||
inquire(file=fname,exist=fileExists)
|
inquire(file=fname,exist=fileExists)
|
||||||
if(.not. fileExists) call IO_error(100,ext_msg=fname)
|
if(.not. fileExists) call IO_error(100,ext_msg=fname)
|
||||||
endif
|
endif
|
||||||
|
print*, 'reading '//fname; flush(6)
|
||||||
write(6,'(/,a)') ' reading '//fname; flush(6)
|
config_material => YAML_parse_file(fname)
|
||||||
flow = to_flow(IO_read(fname))
|
|
||||||
material_root => parse_flow(flow)
|
|
||||||
|
|
||||||
end subroutine parse_material
|
end subroutine parse_material
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads in parameters from numerics.yaml and sets openMP related parameters. Also does
|
!> @brief Read numerics.yaml.
|
||||||
! a sanity check
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine parse_numerics
|
subroutine parse_numerics
|
||||||
|
|
||||||
!$ integer :: gotDAMASK_NUM_THREADS = 1
|
|
||||||
integer :: ierr
|
|
||||||
character(len=:), allocatable :: &
|
|
||||||
numerics_inFlow
|
|
||||||
logical :: fexist
|
logical :: fexist
|
||||||
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
|
||||||
|
|
||||||
#ifdef PETSc
|
config_numerics => emptyDict
|
||||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
|
||||||
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
|
||||||
#endif
|
|
||||||
|
|
||||||
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
|
|
||||||
!$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1
|
|
||||||
!$ call IO_warning(35,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
|
|
||||||
!$ DAMASK_NumThreadsInt = 1_4
|
|
||||||
!$ else
|
|
||||||
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! read as integer
|
|
||||||
!$ if (DAMASK_NumThreadsInt < 1_4) DAMASK_NumThreadsInt = 1_4 ! in case of string conversion fails, set it to one
|
|
||||||
!$ endif
|
|
||||||
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
|
|
||||||
|
|
||||||
numerics_root => emptyDict
|
|
||||||
inquire(file='numerics.yaml', exist=fexist)
|
inquire(file='numerics.yaml', exist=fexist)
|
||||||
|
|
||||||
if (fexist) then
|
if (fexist) then
|
||||||
write(6,'(a,/)') ' using values from config.yaml file'
|
print*, 'reading numerics.yaml'; flush(6)
|
||||||
flush(6)
|
config_numerics => YAML_parse_file('numerics.yaml')
|
||||||
numerics_inFlow = to_flow(IO_read('numerics.yaml'))
|
|
||||||
numerics_root => parse_flow(numerics_inFlow)
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! openMP parameter
|
|
||||||
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
|
|
||||||
|
|
||||||
end subroutine parse_numerics
|
end subroutine parse_numerics
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief reads in parameters from debug.yaml
|
!> @brief Read debug.yaml.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine parse_debug
|
subroutine parse_debug
|
||||||
|
|
||||||
character(len=:), allocatable :: debug_inFlow
|
logical :: fexist
|
||||||
logical :: fexist
|
|
||||||
|
|
||||||
#ifdef DEBUG
|
config_debug => emptyDict
|
||||||
write(6,'(a)') achar(27)//'[31m <<<+- DEBUG version -+>>>'//achar(27)//'[0m'
|
|
||||||
#endif
|
|
||||||
|
|
||||||
debug_root => emptyDict
|
|
||||||
inquire(file='debug.yaml', exist=fexist)
|
inquire(file='debug.yaml', exist=fexist)
|
||||||
fileExists: if (fexist) then
|
fileExists: if (fexist) then
|
||||||
debug_inFlow = to_flow(IO_read('debug.yaml'))
|
print*, 'reading debug.yaml'; flush(6)
|
||||||
debug_root => parse_flow(debug_inFlow)
|
config_debug => YAML_parse_file('debug.yaml')
|
||||||
endif fileExists
|
endif fileExists
|
||||||
|
|
||||||
end subroutine parse_debug
|
end subroutine parse_debug
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief deallocates material.yaml structure
|
!> @brief Deallocate config_material.
|
||||||
|
!ToDo: deallocation of numerics debug (optional)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine config_deallocate
|
subroutine config_deallocate
|
||||||
|
|
||||||
deallocate(material_root) !ToDo: deallocation of numerics and debug (slightly different for optional files)
|
deallocate(config_material)
|
||||||
|
|
||||||
end subroutine config_deallocate
|
end subroutine config_deallocate
|
||||||
|
|
||||||
end module config
|
end module config
|
||||||
|
|
|
@ -140,7 +140,7 @@ module constitutive
|
||||||
el !< current element number
|
el !< current element number
|
||||||
end subroutine plastic_nonlocal_dotState
|
end subroutine plastic_nonlocal_dotState
|
||||||
|
|
||||||
|
|
||||||
module subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
|
module subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
|
||||||
integer, intent(in) :: &
|
integer, intent(in) :: &
|
||||||
ipc, & !< component-ID of integration point
|
ipc, & !< component-ID of integration point
|
||||||
|
@ -212,7 +212,7 @@ module constitutive
|
||||||
real(pReal), dimension(3,3) :: &
|
real(pReal), dimension(3,3) :: &
|
||||||
initialStrain
|
initialStrain
|
||||||
end function kinematics_thermal_expansion_initialStrain
|
end function kinematics_thermal_expansion_initialStrain
|
||||||
|
|
||||||
module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
|
module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
|
||||||
integer, intent(in) :: &
|
integer, intent(in) :: &
|
||||||
instance, &
|
instance, &
|
||||||
|
@ -269,7 +269,7 @@ module constitutive
|
||||||
Li !< thermal velocity gradient
|
Li !< thermal velocity gradient
|
||||||
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||||
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
|
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
|
||||||
end subroutine kinematics_thermal_expansion_LiAndItsTangent
|
end subroutine kinematics_thermal_expansion_LiAndItsTangent
|
||||||
|
|
||||||
|
|
||||||
module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
|
module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
|
||||||
|
@ -303,7 +303,7 @@ module constitutive
|
||||||
|
|
||||||
module subroutine plastic_results
|
module subroutine plastic_results
|
||||||
end subroutine plastic_results
|
end subroutine plastic_results
|
||||||
|
|
||||||
module subroutine damage_results
|
module subroutine damage_results
|
||||||
end subroutine damage_results
|
end subroutine damage_results
|
||||||
|
|
||||||
|
@ -339,7 +339,7 @@ module constitutive
|
||||||
real(pReal), intent(in), dimension(3,3) :: &
|
real(pReal), intent(in), dimension(3,3) :: &
|
||||||
F, & !< elastic deformation gradient
|
F, & !< elastic deformation gradient
|
||||||
Fp !< plastic deformation gradient
|
Fp !< plastic deformation gradient
|
||||||
end subroutine constitutive_plastic_dependentState
|
end subroutine constitutive_plastic_dependentState
|
||||||
|
|
||||||
end interface constitutive_dependentState
|
end interface constitutive_dependentState
|
||||||
|
|
||||||
|
@ -356,7 +356,7 @@ module constitutive
|
||||||
end type tDebugOptions
|
end type tDebugOptions
|
||||||
|
|
||||||
type(tDebugOptions) :: debugConstitutive
|
type(tDebugOptions) :: debugConstitutive
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
constitutive_init, &
|
constitutive_init, &
|
||||||
constitutive_homogenizedC, &
|
constitutive_homogenizedC, &
|
||||||
|
@ -379,7 +379,7 @@ contains
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Initialze constitutive models for individual physics
|
!> @brief Initialze constitutive models for individual physics
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine constitutive_init
|
subroutine constitutive_init
|
||||||
|
|
||||||
|
@ -394,17 +394,17 @@ subroutine constitutive_init
|
||||||
elastic, &
|
elastic, &
|
||||||
stiffDegradation
|
stiffDegradation
|
||||||
|
|
||||||
debug_constitutive => debug_root%get('constitutive', defaultVal=emptyList)
|
debug_constitutive => config_debug%get('constitutive', defaultVal=emptyList)
|
||||||
debugConstitutive%basic = debug_constitutive%contains('basic')
|
debugConstitutive%basic = debug_constitutive%contains('basic')
|
||||||
debugConstitutive%extensive = debug_constitutive%contains('extensive')
|
debugConstitutive%extensive = debug_constitutive%contains('extensive')
|
||||||
debugConstitutive%selective = debug_constitutive%contains('selective')
|
debugConstitutive%selective = debug_constitutive%contains('selective')
|
||||||
debugConstitutive%element = debug_root%get_asInt('element',defaultVal = 1)
|
debugConstitutive%element = config_debug%get_asInt('element',defaultVal = 1)
|
||||||
debugConstitutive%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
|
debugConstitutive%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||||
debugConstitutive%grain = debug_root%get_asInt('grain',defaultVal = 1)
|
debugConstitutive%grain = config_debug%get_asInt('grain',defaultVal = 1)
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
|
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
|
allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
|
||||||
allocate(phase_elasticityInstance(phases%length), source = 0)
|
allocate(phase_elasticityInstance(phases%length), source = 0)
|
||||||
allocate(phase_NstiffnessDegradations(phases%length),source=0)
|
allocate(phase_NstiffnessDegradations(phases%length),source=0)
|
||||||
|
@ -446,7 +446,7 @@ subroutine constitutive_init
|
||||||
call damage_init
|
call damage_init
|
||||||
call thermal_init
|
call thermal_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
|
print'(/,a)', ' <<<+- constitutive init -+>>>'; flush(6)
|
||||||
|
|
||||||
constitutive_source_maxSizeDotState = 0
|
constitutive_source_maxSizeDotState = 0
|
||||||
PhaseLoop2:do p = 1,phases%length
|
PhaseLoop2:do p = 1,phases%length
|
||||||
|
@ -472,7 +472,7 @@ end subroutine constitutive_init
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function source_active(source_label,src_length) result(active_source)
|
module function source_active(source_label,src_length) result(active_source)
|
||||||
|
|
||||||
character(len=*), intent(in) :: source_label !< name of source mechanism
|
character(len=*), intent(in) :: source_label !< name of source mechanism
|
||||||
integer, intent(in) :: src_length !< max. number of sources in system
|
integer, intent(in) :: src_length !< max. number of sources in system
|
||||||
logical, dimension(:,:), allocatable :: active_source
|
logical, dimension(:,:), allocatable :: active_source
|
||||||
|
|
||||||
|
@ -480,10 +480,10 @@ module function source_active(source_label,src_length) result(active_source)
|
||||||
phases, &
|
phases, &
|
||||||
phase, &
|
phase, &
|
||||||
sources, &
|
sources, &
|
||||||
src
|
src
|
||||||
integer :: p,s
|
integer :: p,s
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(active_source(src_length,phases%length), source = .false. )
|
allocate(active_source(src_length,phases%length), source = .false. )
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -512,10 +512,10 @@ module function kinematics_active(kinematics_label,kinematics_length) result(ac
|
||||||
phases, &
|
phases, &
|
||||||
phase, &
|
phase, &
|
||||||
kinematics, &
|
kinematics, &
|
||||||
kinematics_type
|
kinematics_type
|
||||||
integer :: p,k
|
integer :: p,k
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
|
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -528,7 +528,7 @@ module function kinematics_active(kinematics_label,kinematics_length) result(ac
|
||||||
|
|
||||||
|
|
||||||
end function kinematics_active
|
end function kinematics_active
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief returns the homogenize elasticity matrix
|
!> @brief returns the homogenize elasticity matrix
|
||||||
|
|
|
@ -117,7 +117,7 @@ module subroutine damage_init
|
||||||
sources, &
|
sources, &
|
||||||
kinematics
|
kinematics
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
|
|
||||||
allocate(sourceState (phases%length))
|
allocate(sourceState (phases%length))
|
||||||
allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics
|
allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics
|
||||||
|
|
|
@ -1,5 +1,5 @@
|
||||||
!----------------------------------------------------------------------------------------------------
|
!----------------------------------------------------------------------------------------------------
|
||||||
!> @brief internal microstructure state for all plasticity constitutive models
|
!> @brief internal microstructure state for all plasticity constitutive models
|
||||||
!----------------------------------------------------------------------------------------------------
|
!----------------------------------------------------------------------------------------------------
|
||||||
submodule(constitutive) constitutive_plastic
|
submodule(constitutive) constitutive_plastic
|
||||||
|
|
||||||
|
@ -198,7 +198,9 @@ module subroutine plastic_init
|
||||||
integer :: p
|
integer :: p
|
||||||
class(tNode), pointer :: phases
|
class(tNode), pointer :: phases
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
print'(/,a)', ' <<<+- constitutive_plastic init -+>>>'
|
||||||
|
|
||||||
|
phases => config_material%get('phase')
|
||||||
|
|
||||||
allocate(plasticState(phases%length))
|
allocate(plasticState(phases%length))
|
||||||
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
|
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
|
||||||
|
@ -215,7 +217,7 @@ module subroutine plastic_init
|
||||||
|
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p))
|
phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p))
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
|
||||||
end subroutine plastic_init
|
end subroutine plastic_init
|
||||||
|
@ -235,7 +237,7 @@ module function plastic_active(plastic_label) result(active_plastic)
|
||||||
pl
|
pl
|
||||||
integer :: p
|
integer :: p
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(active_plastic(phases%length), source = .false. )
|
allocate(active_plastic(phases%length), source = .false. )
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -355,7 +357,7 @@ end subroutine constitutive_plastic_LpAndItsTangents
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------
|
||||||
!> @brief writes plasticity constitutive results to HDF5 output file
|
!> @brief writes plasticity constitutive results to HDF5 output file
|
||||||
!--------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------
|
||||||
module subroutine plastic_results
|
module subroutine plastic_results
|
||||||
|
|
||||||
integer :: p
|
integer :: p
|
||||||
|
|
|
@ -96,23 +96,22 @@ module function plastic_disloTungsten_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_disloTungsten init -+>>>'
|
print'(/,a)', ' <<<+- plastic_dislotungsten init -+>>>'
|
||||||
|
|
||||||
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
|
||||||
write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
|
|
||||||
|
|
||||||
myPlasticity = plastic_active('disloTungsten')
|
myPlasticity = plastic_active('disloTungsten')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
|
print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
||||||
|
print*, 'https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(state(Ninstance))
|
allocate(state(Ninstance))
|
||||||
allocate(dotState(Ninstance))
|
allocate(dotState(Ninstance))
|
||||||
allocate(dependentState(Ninstance))
|
allocate(dependentState(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -179,7 +178,7 @@ module function plastic_disloTungsten_init() result(myPlasticity)
|
||||||
prm%Q_cl = pl%get_asFloat('Q_cl')
|
prm%Q_cl = pl%get_asFloat('Q_cl')
|
||||||
prm%atomicVolume = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
|
prm%atomicVolume = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
|
||||||
prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
|
prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
|
||||||
|
|
||||||
prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.)
|
prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.)
|
||||||
|
|
||||||
! expand: family => system
|
! expand: family => system
|
||||||
|
@ -410,19 +409,19 @@ module subroutine plastic_disloTungsten_results(instance,group)
|
||||||
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
|
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
|
||||||
outputsLoop: do o = 1,size(prm%output)
|
outputsLoop: do o = 1,size(prm%output)
|
||||||
select case(trim(prm%output(o)))
|
select case(trim(prm%output(o)))
|
||||||
case('rho_mob')
|
case('rho_mob')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,trim(prm%output(o)), &
|
||||||
'mobile dislocation density','1/m²')
|
'mobile dislocation density','1/m²')
|
||||||
case('rho_dip')
|
case('rho_dip')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
|
||||||
'dislocation dipole density''1/m²')
|
'dislocation dipole density''1/m²')
|
||||||
case('gamma_sl')
|
case('gamma_sl')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
|
||||||
'plastic shear','1')
|
'plastic shear','1')
|
||||||
case('Lambda_sl')
|
case('Lambda_sl')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,trim(prm%output(o)), &
|
||||||
'mean free path for slip','m')
|
'mean free path for slip','m')
|
||||||
case('tau_pass')
|
case('tau_pass')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%threshold_stress,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%threshold_stress,trim(prm%output(o)), &
|
||||||
'threshold stress for slip','Pa')
|
'threshold stress for slip','Pa')
|
||||||
end select
|
end select
|
||||||
|
|
|
@ -143,29 +143,28 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- constitutive_dislotwin init -+>>>'
|
print'(/,a)', ' <<<+- plastic_dislotwin init -+>>>'
|
||||||
|
|
||||||
write(6,'(/,a)') ' Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Roters et al., Computational Materials Science 39:91–95, 2007'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Wong et al., Acta Materialia 118:140–151, 2016'
|
|
||||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
|
|
||||||
|
|
||||||
myPlasticity = plastic_active('dislotwin')
|
myPlasticity = plastic_active('dislotwin')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
|
print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
|
||||||
|
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
|
||||||
|
|
||||||
|
print*, 'Roters et al., Computational Materials Science 39:91–95, 2007'
|
||||||
|
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
|
||||||
|
|
||||||
|
print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
|
||||||
|
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(state(Ninstance))
|
allocate(state(Ninstance))
|
||||||
allocate(dotState(Ninstance))
|
allocate(dotState(Ninstance))
|
||||||
allocate(dependentState(Ninstance))
|
allocate(dependentState(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -414,7 +413,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
||||||
+ size(['f_tr']) * prm%sum_N_tr
|
+ size(['f_tr']) * prm%sum_N_tr
|
||||||
sizeState = sizeDotState
|
sizeState = sizeDotState
|
||||||
|
|
||||||
|
|
||||||
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
|
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -49,7 +49,7 @@ contains
|
||||||
!> @brief Perform module initialization.
|
!> @brief Perform module initialization.
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function plastic_isotropic_init() result(myPlasticity)
|
module function plastic_isotropic_init() result(myPlasticity)
|
||||||
|
|
||||||
logical, dimension(:), allocatable :: myPlasticity
|
logical, dimension(:), allocatable :: myPlasticity
|
||||||
integer :: &
|
integer :: &
|
||||||
|
@ -67,23 +67,21 @@ module function plastic_isotropic_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_isotropic init -+>>>'
|
print'(/,a)', ' <<<+- plastic_isotropic init -+>>>'
|
||||||
|
|
||||||
write(6,'(/,a)') ' Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
|
||||||
|
|
||||||
|
|
||||||
myPlasticity = plastic_active('isotropic')
|
myPlasticity = plastic_active('isotropic')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
|
print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
||||||
|
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(state(Ninstance))
|
allocate(state(Ninstance))
|
||||||
allocate(dotState(Ninstance))
|
allocate(dotState(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -96,7 +94,7 @@ module function plastic_isotropic_init() result(myPlasticity)
|
||||||
pl => phase%get('plasticity')
|
pl => phase%get('plasticity')
|
||||||
|
|
||||||
|
|
||||||
#if defined (__GFORTRAN__)
|
#if defined (__GFORTRAN__)
|
||||||
prm%output = output_asStrings(pl)
|
prm%output = output_asStrings(pl)
|
||||||
#else
|
#else
|
||||||
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
|
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
|
||||||
|
@ -339,7 +337,7 @@ module subroutine plastic_isotropic_results(instance,group)
|
||||||
associate(prm => param(instance), stt => state(instance))
|
associate(prm => param(instance), stt => state(instance))
|
||||||
outputsLoop: do o = 1,size(prm%output)
|
outputsLoop: do o = 1,size(prm%output)
|
||||||
select case(trim(prm%output(o)))
|
select case(trim(prm%output(o)))
|
||||||
case ('xi')
|
case ('xi')
|
||||||
call results_writeDataset(group,stt%xi,trim(prm%output(o)), &
|
call results_writeDataset(group,stt%xi,trim(prm%output(o)), &
|
||||||
'resistance against plastic flow','Pa')
|
'resistance against plastic flow','Pa')
|
||||||
end select
|
end select
|
||||||
|
|
|
@ -58,7 +58,7 @@ contains
|
||||||
!> @brief Perform module initialization.
|
!> @brief Perform module initialization.
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function plastic_kinehardening_init() result(myPlasticity)
|
module function plastic_kinehardening_init() result(myPlasticity)
|
||||||
|
|
||||||
logical, dimension(:), allocatable :: myPlasticity
|
logical, dimension(:), allocatable :: myPlasticity
|
||||||
integer :: &
|
integer :: &
|
||||||
|
@ -79,12 +79,11 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_kinehardening init -+>>>'
|
print'(/,a)', ' <<<+- plastic_kinehardening init -+>>>'
|
||||||
|
|
||||||
myPlasticity = plastic_active('kinehardening')
|
myPlasticity = plastic_active('kinehardening')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
|
@ -92,7 +91,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
||||||
allocate(dotState(Ninstance))
|
allocate(dotState(Ninstance))
|
||||||
allocate(deltaState(Ninstance))
|
allocate(deltaState(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -384,7 +383,7 @@ module subroutine plastic_kinehardening_results(instance,group)
|
||||||
case('xi')
|
case('xi')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss,trim(prm%output(o)), &
|
||||||
'resistance against plastic slip','Pa')
|
'resistance against plastic slip','Pa')
|
||||||
case('tau_b')
|
case('tau_b')
|
||||||
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss_back,trim(prm%output(o)), &
|
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss_back,trim(prm%output(o)), &
|
||||||
'back stress against plastic slip','Pa')
|
'back stress against plastic slip','Pa')
|
||||||
case ('sgn(gamma)')
|
case ('sgn(gamma)')
|
||||||
|
|
|
@ -9,10 +9,10 @@ submodule(constitutive:constitutive_plastic) plastic_none
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief module initialization
|
!> @brief Perform module initialization.
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function plastic_none_init() result(myPlasticity)
|
module function plastic_none_init() result(myPlasticity)
|
||||||
|
|
||||||
logical, dimension(:), allocatable :: myPlasticity
|
logical, dimension(:), allocatable :: myPlasticity
|
||||||
integer :: &
|
integer :: &
|
||||||
|
@ -24,20 +24,20 @@ module function plastic_none_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_none init -+>>>'
|
print'(/,a)', ' <<<+- plastic_none init -+>>>'
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(myPlasticity(phases%length), source = .false. )
|
allocate(myPlasticity(phases%length), source = .false.)
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
pl => phase%get('plasticity')
|
pl => phase%get('plasticity')
|
||||||
if(pl%get_asString('type') == 'none') myPlasticity(p) = .true.
|
if(pl%get_asString('type') == 'none') myPlasticity(p) = .true.
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
if(.not. myPlasticity(p)) cycle
|
if(.not. myPlasticity(p)) cycle
|
||||||
|
|
|
@ -159,8 +159,9 @@ submodule(constitutive:constitutive_plastic) plastic_nonlocal
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief module initialization
|
!> @brief Perform module initialization.
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function plastic_nonlocal_init() result(myPlasticity)
|
module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
|
@ -183,24 +184,22 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
phases, &
|
phases, &
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_nonlocal init -+>>>'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Reuber et al., Acta Materialia 71:333–348, 2014'
|
print'(/,a)', ' <<<+- plastic_nonlocal init -+>>>'
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2014.03.012'
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' Kords, Dissertation RWTH Aachen, 2014'
|
|
||||||
write(6,'(a)') ' http://publications.rwth-aachen.de/record/229993'
|
|
||||||
|
|
||||||
myPlasticity = plastic_active('nonlocal')
|
myPlasticity = plastic_active('nonlocal')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) then
|
if(Ninstance == 0) then
|
||||||
call geometry_plastic_nonlocal_disable
|
call geometry_plastic_nonlocal_disable
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
print*, 'Reuber et al., Acta Materialia 71:333–348, 2014'
|
||||||
|
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
|
||||||
|
|
||||||
|
print*, 'Kords, Dissertation RWTH Aachen, 2014'
|
||||||
|
print*, 'http://publications.rwth-aachen.de/record/229993'//IO_EOL
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(state(Ninstance))
|
allocate(state(Ninstance))
|
||||||
|
@ -209,7 +208,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
allocate(deltaState(Ninstance))
|
allocate(deltaState(Ninstance))
|
||||||
allocate(microstructure(Ninstance))
|
allocate(microstructure(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -224,14 +223,14 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
dst => microstructure(i))
|
dst => microstructure(i))
|
||||||
pl => phase%get('plasticity')
|
pl => phase%get('plasticity')
|
||||||
|
|
||||||
phase_localPlasticity(p) = .not. pl%contains('nonlocal')
|
phase_localPlasticity(p) = .not. pl%contains('nonlocal')
|
||||||
|
|
||||||
#if defined (__GFORTRAN__)
|
#if defined (__GFORTRAN__)
|
||||||
prm%output = output_asStrings(pl)
|
prm%output = output_asStrings(pl)
|
||||||
#else
|
#else
|
||||||
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
|
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0e4_pReal)
|
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0e4_pReal)
|
||||||
|
|
||||||
! This data is read in already in lattice
|
! This data is read in already in lattice
|
||||||
|
@ -519,7 +518,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
|
|
||||||
if(.not. myPlasticity(p)) cycle
|
if(.not. myPlasticity(p)) cycle
|
||||||
i = i + 1
|
i = i + 1
|
||||||
|
|
||||||
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
||||||
l = 0
|
l = 0
|
||||||
do t = 1,4
|
do t = 1,4
|
||||||
|
@ -543,7 +542,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
enddo
|
enddo
|
||||||
if (iD(param(i)%sum_N_sl,2,i) /= plasticState(p)%sizeState) &
|
if (iD(param(i)%sum_N_sl,2,i) /= plasticState(p)%sizeState) &
|
||||||
call IO_error(0, ext_msg = 'state indices not properly set (nonlocal)')
|
call IO_error(0, ext_msg = 'state indices not properly set (nonlocal)')
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end function plastic_nonlocal_init
|
end function plastic_nonlocal_init
|
||||||
|
|
||||||
|
|
|
@ -66,7 +66,7 @@ contains
|
||||||
!> @brief Perform module initialization.
|
!> @brief Perform module initialization.
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module function plastic_phenopowerlaw_init() result(myPlasticity)
|
module function plastic_phenopowerlaw_init() result(myPlasticity)
|
||||||
|
|
||||||
logical, dimension(:), allocatable :: myPlasticity
|
logical, dimension(:), allocatable :: myPlasticity
|
||||||
integer :: &
|
integer :: &
|
||||||
|
@ -88,20 +88,18 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
||||||
phase, &
|
phase, &
|
||||||
pl
|
pl
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- plastic_phenopowerlaw init -+>>>'
|
print'(/,a)', ' <<<+- plastic_phenopowerlaw init -+>>>'
|
||||||
|
|
||||||
|
|
||||||
myPlasticity = plastic_active('phenopowerlaw')
|
myPlasticity = plastic_active('phenopowerlaw')
|
||||||
|
|
||||||
Ninstance = count(myPlasticity)
|
Ninstance = count(myPlasticity)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(state(Ninstance))
|
allocate(state(Ninstance))
|
||||||
allocate(dotState(Ninstance))
|
allocate(dotState(Ninstance))
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
i = 0
|
i = 0
|
||||||
do p = 1, phases%length
|
do p = 1, phases%length
|
||||||
phase => phases%get(p)
|
phase => phases%get(p)
|
||||||
|
@ -231,7 +229,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
||||||
+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
|
+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
|
||||||
sizeState = sizeDotState
|
sizeState = sizeDotState
|
||||||
|
|
||||||
|
|
||||||
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
|
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -10,6 +10,7 @@
|
||||||
|
|
||||||
module crystallite
|
module crystallite
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use HDF5_utilities
|
use HDF5_utilities
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
@ -81,8 +82,6 @@ module crystallite
|
||||||
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
|
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
|
||||||
nState, & !< state loop limit
|
nState, & !< state loop limit
|
||||||
nStress !< stress loop limit
|
nStress !< stress loop limit
|
||||||
character(len=:), allocatable :: &
|
|
||||||
integrator !< integration scheme
|
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
|
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
|
||||||
subStepSizeCryst, & !< size of first substep when cutback
|
subStepSizeCryst, & !< size of first substep when cutback
|
||||||
|
@ -149,13 +148,13 @@ subroutine crystallite_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
|
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
|
||||||
|
|
||||||
debug_crystallite => debug_root%get('crystallite', defaultVal=emptyList)
|
debug_crystallite => config_debug%get('crystallite', defaultVal=emptyList)
|
||||||
debugCrystallite%basic = debug_crystallite%contains('basic')
|
debugCrystallite%basic = debug_crystallite%contains('basic')
|
||||||
debugCrystallite%extensive = debug_crystallite%contains('extensive')
|
debugCrystallite%extensive = debug_crystallite%contains('extensive')
|
||||||
debugCrystallite%selective = debug_crystallite%contains('selective')
|
debugCrystallite%selective = debug_crystallite%contains('selective')
|
||||||
debugCrystallite%element = debug_root%get_asInt('element', defaultVal=1)
|
debugCrystallite%element = config_debug%get_asInt('element', defaultVal=1)
|
||||||
debugCrystallite%ip = debug_root%get_asInt('integrationpoint', defaultVal=1)
|
debugCrystallite%ip = config_debug%get_asInt('integrationpoint', defaultVal=1)
|
||||||
debugCrystallite%grain = debug_root%get_asInt('grain', defaultVal=1)
|
debugCrystallite%grain = config_debug%get_asInt('grain', defaultVal=1)
|
||||||
|
|
||||||
cMax = homogenization_maxNgrains
|
cMax = homogenization_maxNgrains
|
||||||
iMax = discretization_nIP
|
iMax = discretization_nIP
|
||||||
|
@ -188,7 +187,7 @@ subroutine crystallite_init
|
||||||
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
|
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
|
||||||
allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
|
allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
|
||||||
|
|
||||||
num_crystallite => numerics_root%get('crystallite',defaultVal=emptyDict)
|
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
|
||||||
|
|
||||||
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
|
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
|
||||||
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
|
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
|
||||||
|
@ -199,7 +198,6 @@ subroutine crystallite_init
|
||||||
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
|
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
|
||||||
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
|
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
|
||||||
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
|
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
|
||||||
num%integrator = num_crystallite%get_asString('integrator', defaultVal='FPI')
|
|
||||||
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
|
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
|
||||||
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
|
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
|
||||||
|
|
||||||
|
@ -219,8 +217,7 @@ subroutine crystallite_init
|
||||||
if(num%nState < 1) call IO_error(301,ext_msg='nState')
|
if(num%nState < 1) call IO_error(301,ext_msg='nState')
|
||||||
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
|
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
|
||||||
|
|
||||||
|
select case(num_crystallite%get_asString('integrator',defaultVal='FPI'))
|
||||||
select case(num%integrator)
|
|
||||||
case('FPI')
|
case('FPI')
|
||||||
integrateState => integrateStateFPI
|
integrateState => integrateStateFPI
|
||||||
case('Euler')
|
case('Euler')
|
||||||
|
@ -235,7 +232,7 @@ subroutine crystallite_init
|
||||||
call IO_error(301,ext_msg='integrator')
|
call IO_error(301,ext_msg='integrator')
|
||||||
end select
|
end select
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
|
|
||||||
allocate(output_constituent(phases%length))
|
allocate(output_constituent(phases%length))
|
||||||
do c = 1, phases%length
|
do c = 1, phases%length
|
||||||
|
@ -575,7 +572,7 @@ subroutine crystallite_stressTangent
|
||||||
lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) &
|
lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) &
|
||||||
+ math_mul3333xx3333(dSdFi,dFidS)
|
+ math_mul3333xx3333(dSdFi,dFidS)
|
||||||
|
|
||||||
call math_invert(temp_99,error,math_identity2nd(9)+math_3333to99(lhs_3333))
|
call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333))
|
||||||
if (error) then
|
if (error) then
|
||||||
call IO_warning(warning_ID=600,el=e,ip=i,g=c, &
|
call IO_warning(warning_ID=600,el=e,ip=i,g=c, &
|
||||||
ext_msg='inversion error in analytic tangent calculation')
|
ext_msg='inversion error in analytic tangent calculation')
|
||||||
|
@ -946,7 +943,7 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
|
||||||
do o=1,3; do p=1,3
|
do o=1,3; do p=1,3
|
||||||
dFe_dLp(o,1:3,p,1:3) = - dt * A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
|
dFe_dLp(o,1:3,p,1:3) = - dt * A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
dRLp_dLp = math_identity2nd(9) &
|
dRLp_dLp = math_eye(9) &
|
||||||
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
|
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
|
||||||
temp_9 = math_33to9(residuumLp)
|
temp_9 = math_33to9(residuumLp)
|
||||||
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
||||||
|
@ -991,7 +988,7 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
|
||||||
do o=1,3; do p=1,3
|
do o=1,3; do p=1,3
|
||||||
dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
|
dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
dRLi_dLi = math_identity2nd(9) &
|
dRLi_dLi = math_eye(9) &
|
||||||
- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) &
|
- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) &
|
||||||
+ math_mul3333xx3333(dS_dFi, dFi_dLi))) &
|
+ math_mul3333xx3333(dS_dFi, dFi_dLi))) &
|
||||||
- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
|
- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
|
||||||
|
|
|
@ -53,14 +53,14 @@ subroutine damage_local_init
|
||||||
|
|
||||||
!----------------------------------------------------------------------------------------------
|
!----------------------------------------------------------------------------------------------
|
||||||
! read numerics parameter and do sanity check
|
! read numerics parameter and do sanity check
|
||||||
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
|
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
|
||||||
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
||||||
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
||||||
|
|
||||||
Ninstance = count(damage_type == DAMAGE_local_ID)
|
Ninstance = count(damage_type == DAMAGE_local_ID)
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, material_homogenization%length
|
do h = 1, material_homogenization%length
|
||||||
if (damage_type(h) /= DAMAGE_LOCAL_ID) cycle
|
if (damage_type(h) /= DAMAGE_LOCAL_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
|
|
|
@ -57,13 +57,13 @@ subroutine damage_nonlocal_init
|
||||||
|
|
||||||
!------------------------------------------------------------------------------------
|
!------------------------------------------------------------------------------------
|
||||||
! read numerics parameter
|
! read numerics parameter
|
||||||
num_generic => numerics_root%get('generic',defaultVal= emptyDict)
|
num_generic => config_numerics%get('generic',defaultVal= emptyDict)
|
||||||
num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
|
num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
|
||||||
|
|
||||||
Ninstance = count(damage_type == DAMAGE_nonlocal_ID)
|
Ninstance = count(damage_type == DAMAGE_nonlocal_ID)
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, material_homogenization%length
|
do h = 1, material_homogenization%length
|
||||||
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
|
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
|
|
154
src/element.f90
154
src/element.f90
|
@ -4,9 +4,9 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module element
|
module element
|
||||||
use IO
|
use IO
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
!> Properties of a single element
|
!> Properties of a single element
|
||||||
|
@ -39,7 +39,7 @@ module element
|
||||||
|
|
||||||
integer, parameter :: &
|
integer, parameter :: &
|
||||||
NELEMTYPE = 13
|
NELEMTYPE = 13
|
||||||
|
|
||||||
integer, dimension(NELEMTYPE), parameter :: NNODE = &
|
integer, dimension(NELEMTYPE), parameter :: NNODE = &
|
||||||
[ &
|
[ &
|
||||||
3, & ! 2D, 1 IP
|
3, & ! 2D, 1 IP
|
||||||
|
@ -57,7 +57,7 @@ module element
|
||||||
20, & ! 3D, 8 IP
|
20, & ! 3D, 8 IP
|
||||||
20 & ! 3D, 27 IP
|
20 & ! 3D, 27 IP
|
||||||
] !< number of nodes that constitute a specific type of element
|
] !< number of nodes that constitute a specific type of element
|
||||||
|
|
||||||
integer, dimension(NELEMTYPE), parameter :: GEOMTYPE = &
|
integer, dimension(NELEMTYPE), parameter :: GEOMTYPE = &
|
||||||
[ &
|
[ &
|
||||||
1, & ! 1 triangle
|
1, & ! 1 triangle
|
||||||
|
@ -75,7 +75,7 @@ module element
|
||||||
9, & ! 8 hexahedrons
|
9, & ! 8 hexahedrons
|
||||||
10 & ! 27 hexahedrons
|
10 & ! 27 hexahedrons
|
||||||
] !< geometry type (same number of cell nodes and IPs)
|
] !< geometry type (same number of cell nodes and IPs)
|
||||||
|
|
||||||
integer, dimension(maxval(GEOMTYPE)), parameter :: NCELLNODE = &
|
integer, dimension(maxval(GEOMTYPE)), parameter :: NCELLNODE = &
|
||||||
[ &
|
[ &
|
||||||
3, &
|
3, &
|
||||||
|
@ -89,21 +89,21 @@ module element
|
||||||
27, &
|
27, &
|
||||||
64 &
|
64 &
|
||||||
] !< number of cell nodes
|
] !< number of cell nodes
|
||||||
|
|
||||||
integer, dimension(maxval(GEOMTYPE)), parameter :: NIP = &
|
integer, dimension(maxval(GEOMTYPE)), parameter :: NIP = &
|
||||||
[ &
|
[ &
|
||||||
1, &
|
1, &
|
||||||
3, &
|
3, &
|
||||||
4, &
|
4, &
|
||||||
9, &
|
9, &
|
||||||
1, &
|
1, &
|
||||||
4, &
|
4, &
|
||||||
6, &
|
6, &
|
||||||
1, &
|
1, &
|
||||||
8, &
|
8, &
|
||||||
27 &
|
27 &
|
||||||
] !< number of IPs
|
] !< number of IPs
|
||||||
|
|
||||||
integer, dimension(maxval(GEOMTYPE)), parameter :: CELLTYPE = &
|
integer, dimension(maxval(GEOMTYPE)), parameter :: CELLTYPE = &
|
||||||
[ &
|
[ &
|
||||||
1, & ! 2D, 3 node (Triangle)
|
1, & ! 2D, 3 node (Triangle)
|
||||||
|
@ -147,7 +147,7 @@ module element
|
||||||
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
|
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
|
||||||
! Positive integers denote an intra-element IP identifier.
|
! Positive integers denote an intra-element IP identifier.
|
||||||
! Negative integers denote the interface behind which the neighboring (extra-element) IP will be located.
|
! Negative integers denote the interface behind which the neighboring (extra-element) IP will be located.
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(1)),NIP(1)), parameter :: IPNEIGHBOR1 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(1)),NIP(1)), parameter :: IPNEIGHBOR1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
-2,-3,-1 &
|
-2,-3,-1 &
|
||||||
|
@ -156,7 +156,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(1)),NIP(1)])
|
],[NIPNEIGHBOR(CELLTYPE(1)),NIP(1)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(2)),NIP(2)), parameter :: IPNEIGHBOR2 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(2)),NIP(2)), parameter :: IPNEIGHBOR2 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-3, 3,-1, &
|
2,-3, 3,-1, &
|
||||||
|
@ -167,7 +167,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(2)),NIP(2)])
|
],[NIPNEIGHBOR(CELLTYPE(2)),NIP(2)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(3)),NIP(3)), parameter :: IPNEIGHBOR3 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(3)),NIP(3)), parameter :: IPNEIGHBOR3 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-4, 3,-1, &
|
2,-4, 3,-1, &
|
||||||
|
@ -179,7 +179,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(3)),NIP(3)])
|
],[NIPNEIGHBOR(CELLTYPE(3)),NIP(3)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(4)),NIP(4)), parameter :: IPNEIGHBOR4 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(4)),NIP(4)), parameter :: IPNEIGHBOR4 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-4, 4,-1, &
|
2,-4, 4,-1, &
|
||||||
|
@ -196,7 +196,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(4)),NIP(4)])
|
],[NIPNEIGHBOR(CELLTYPE(4)),NIP(4)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(5)),NIP(5)), parameter :: IPNEIGHBOR5 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(5)),NIP(5)), parameter :: IPNEIGHBOR5 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
-1,-2,-3,-4 &
|
-1,-2,-3,-4 &
|
||||||
|
@ -205,7 +205,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(5)),NIP(5)])
|
],[NIPNEIGHBOR(CELLTYPE(5)),NIP(5)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(6)),NIP(6)), parameter :: IPNEIGHBOR6 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(6)),NIP(6)), parameter :: IPNEIGHBOR6 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-4, 3,-2, 4,-1, &
|
2,-4, 3,-2, 4,-1, &
|
||||||
|
@ -217,7 +217,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(6)),NIP(6)])
|
],[NIPNEIGHBOR(CELLTYPE(6)),NIP(6)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(7)),NIP(7)), parameter :: IPNEIGHBOR7 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(7)),NIP(7)), parameter :: IPNEIGHBOR7 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-4, 3,-2, 4,-1, &
|
2,-4, 3,-2, 4,-1, &
|
||||||
|
@ -231,7 +231,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(7)),NIP(7)])
|
],[NIPNEIGHBOR(CELLTYPE(7)),NIP(7)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(8)),NIP(8)), parameter :: IPNEIGHBOR8 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(8)),NIP(8)), parameter :: IPNEIGHBOR8 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
-3,-5,-4,-2,-6,-1 &
|
-3,-5,-4,-2,-6,-1 &
|
||||||
|
@ -240,7 +240,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(8)),NIP(8)])
|
],[NIPNEIGHBOR(CELLTYPE(8)),NIP(8)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(9)),NIP(9)), parameter :: IPNEIGHBOR9 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(9)),NIP(9)), parameter :: IPNEIGHBOR9 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-5, 3,-2, 5,-1, &
|
2,-5, 3,-2, 5,-1, &
|
||||||
|
@ -256,7 +256,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NIPNEIGHBOR(CELLTYPE(9)),NIP(9)])
|
],[NIPNEIGHBOR(CELLTYPE(9)),NIP(9)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NIPNEIGHBOR(CELLTYPE(10)),NIP(10)), parameter :: IPNEIGHBOR10 = &
|
integer, dimension(NIPNEIGHBOR(CELLTYPE(10)),NIP(10)), parameter :: IPNEIGHBOR10 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,-5, 4,-2,10,-1, &
|
2,-5, 4,-2,10,-1, &
|
||||||
|
@ -292,7 +292,7 @@ module element
|
||||||
],[NIPNEIGHBOR(CELLTYPE(10)),NIP(10)])
|
],[NIPNEIGHBOR(CELLTYPE(10)),NIP(10)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
integer, dimension(NNODE(1),NCELLNODE(GEOMTYPE(1))), parameter :: CELLNODEPARENTNODEWEIGHTS1 = &
|
integer, dimension(NNODE(1),NCELLNODE(GEOMTYPE(1))), parameter :: CELLNODEPARENTNODEWEIGHTS1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, &
|
1, 0, 0, &
|
||||||
|
@ -303,7 +303,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(1),NCELLNODE(GEOMTYPE(1))])
|
],[NNODE(1),NCELLNODE(GEOMTYPE(1))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(2),NCELLNODE(GEOMTYPE(2))), parameter :: CELLNODEPARENTNODEWEIGHTS2 = &
|
integer, dimension(NNODE(2),NCELLNODE(GEOMTYPE(2))), parameter :: CELLNODEPARENTNODEWEIGHTS2 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, &
|
||||||
|
@ -318,7 +318,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(2),NCELLNODE(GEOMTYPE(2))])
|
],[NNODE(2),NCELLNODE(GEOMTYPE(2))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(3),NCELLNODE(GEOMTYPE(3))), parameter :: CELLNODEPARENTNODEWEIGHTS3 = &
|
integer, dimension(NNODE(3),NCELLNODE(GEOMTYPE(3))), parameter :: CELLNODEPARENTNODEWEIGHTS3 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, &
|
1, 0, 0, 0, &
|
||||||
|
@ -335,7 +335,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(3),NCELLNODE(GEOMTYPE(3))])
|
],[NNODE(3),NCELLNODE(GEOMTYPE(3))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(4),NCELLNODE(GEOMTYPE(4))), parameter :: CELLNODEPARENTNODEWEIGHTS4 = &
|
integer, dimension(NNODE(4),NCELLNODE(GEOMTYPE(4))), parameter :: CELLNODEPARENTNODEWEIGHTS4 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, 0, 0, &
|
||||||
|
@ -359,7 +359,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(4),NCELLNODE(GEOMTYPE(4))])
|
],[NNODE(4),NCELLNODE(GEOMTYPE(4))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(5),NCELLNODE(GEOMTYPE(5))), parameter :: CELLNODEPARENTNODEWEIGHTS5 = &
|
integer, dimension(NNODE(5),NCELLNODE(GEOMTYPE(5))), parameter :: CELLNODEPARENTNODEWEIGHTS5 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, 0, 0, &
|
||||||
|
@ -376,7 +376,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(5),NCELLNODE(GEOMTYPE(5))])
|
],[NNODE(5),NCELLNODE(GEOMTYPE(5))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(6),NcellNode(GEOMTYPE(6))), parameter :: CELLNODEPARENTNODEWEIGHTS6 = &
|
integer, dimension(NNODE(6),NcellNode(GEOMTYPE(6))), parameter :: CELLNODEPARENTNODEWEIGHTS6 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, &
|
1, 0, 0, 0, &
|
||||||
|
@ -388,7 +388,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(6),NcellNode(GEOMTYPE(6))])
|
],[NNODE(6),NcellNode(GEOMTYPE(6))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(7),NCELLNODE(GEOMTYPE(7))), parameter :: CELLNODEPARENTNODEWEIGHTS7 = &
|
integer, dimension(NNODE(7),NCELLNODE(GEOMTYPE(7))), parameter :: CELLNODEPARENTNODEWEIGHTS7 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, &
|
||||||
|
@ -411,7 +411,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(7),NCELLNODE(GEOMTYPE(7))])
|
],[NNODE(7),NCELLNODE(GEOMTYPE(7))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(8),NCELLNODE(GEOMTYPE(8))), parameter :: CELLNODEPARENTNODEWEIGHTS8 = &
|
integer, dimension(NNODE(8),NCELLNODE(GEOMTYPE(8))), parameter :: CELLNODEPARENTNODEWEIGHTS8 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
|
||||||
|
@ -434,7 +434,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(8),NCELLNODE(GEOMTYPE(8))])
|
],[NNODE(8),NCELLNODE(GEOMTYPE(8))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(9),NCELLNODE(GEOMTYPE(9))), parameter :: CELLNODEPARENTNODEWEIGHTS9 = &
|
integer, dimension(NNODE(9),NCELLNODE(GEOMTYPE(9))), parameter :: CELLNODEPARENTNODEWEIGHTS9 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, &
|
||||||
|
@ -463,7 +463,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(9),NCELLNODE(GEOMTYPE(9))])
|
],[NNODE(9),NCELLNODE(GEOMTYPE(9))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(10),NCELLNODE(GEOMTYPE(10))), parameter :: CELLNODEPARENTNODEWEIGHTS10 = &
|
integer, dimension(NNODE(10),NCELLNODE(GEOMTYPE(10))), parameter :: CELLNODEPARENTNODEWEIGHTS10 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, &
|
1, 0, 0, 0, 0, 0, 0, 0, &
|
||||||
|
@ -479,7 +479,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(10),NCELLNODE(GEOMTYPE(10))])
|
],[NNODE(10),NCELLNODE(GEOMTYPE(10))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(11),NCELLNODE(GEOMTYPE(11))), parameter :: CELLNODEPARENTNODEWEIGHTS11 = &
|
integer, dimension(NNODE(11),NCELLNODE(GEOMTYPE(11))), parameter :: CELLNODEPARENTNODEWEIGHTS11 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, & !
|
1, 0, 0, 0, 0, 0, 0, 0, & !
|
||||||
|
@ -514,7 +514,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(11),NCELLNODE(GEOMTYPE(11))])
|
],[NNODE(11),NCELLNODE(GEOMTYPE(11))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(12),NCELLNODE(GEOMTYPE(12))), parameter :: CELLNODEPARENTNODEWEIGHTS12 = &
|
integer, dimension(NNODE(12),NCELLNODE(GEOMTYPE(12))), parameter :: CELLNODEPARENTNODEWEIGHTS12 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
|
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
|
||||||
|
@ -549,7 +549,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(12),NCELLNODE(GEOMTYPE(12))])
|
],[NNODE(12),NCELLNODE(GEOMTYPE(12))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NNODE(13),NCELLNODE(GEOMTYPE(13))), parameter :: CELLNODEPARENTNODEWEIGHTS13 = &
|
integer, dimension(NNODE(13),NCELLNODE(GEOMTYPE(13))), parameter :: CELLNODEPARENTNODEWEIGHTS13 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
|
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
|
||||||
|
@ -621,8 +621,8 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NNODE(13),NCELLNODE(GEOMTYPE(13))])
|
],[NNODE(13),NCELLNODE(GEOMTYPE(13))])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1,2,3 &
|
1,2,3 &
|
||||||
|
@ -631,7 +631,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)])
|
],[NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)), parameter :: CELL2 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)), parameter :: CELL2 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 4, 7, 6, &
|
1, 4, 7, 6, &
|
||||||
|
@ -642,7 +642,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)])
|
],[NCELLNODEPERCELL(CELLTYPE(2)),NIP(2)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)), parameter :: CELL3 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)), parameter :: CELL3 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 5, 9, 8, &
|
1, 5, 9, 8, &
|
||||||
|
@ -654,7 +654,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)])
|
],[NCELLNODEPERCELL(CELLTYPE(3)),NIP(3)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)), parameter :: CELL4 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)), parameter :: CELL4 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 5,13,12, &
|
1, 5,13,12, &
|
||||||
|
@ -671,7 +671,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)])
|
],[NCELLNODEPERCELL(CELLTYPE(4)),NIP(4)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)), parameter :: CELL5 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)), parameter :: CELL5 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 2, 3, 4 &
|
1, 2, 3, 4 &
|
||||||
|
@ -680,7 +680,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)])
|
],[NCELLNODEPERCELL(CELLTYPE(5)),NIP(5)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)), parameter :: CELL6 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)), parameter :: CELL6 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 5,11, 7, 8,12,15,14, &
|
1, 5,11, 7, 8,12,15,14, &
|
||||||
|
@ -692,7 +692,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)])
|
],[NCELLNODEPERCELL(CELLTYPE(6)),NIP(6)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)), parameter :: CELL7 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)), parameter :: CELL7 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 7,16, 9,10,17,21,19, &
|
1, 7,16, 9,10,17,21,19, &
|
||||||
|
@ -706,7 +706,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)])
|
],[NCELLNODEPERCELL(CELLTYPE(7)),NIP(7)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)), parameter :: CELL8 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)), parameter :: CELL8 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 2, 3, 4, 5, 6, 7, 8 &
|
1, 2, 3, 4, 5, 6, 7, 8 &
|
||||||
|
@ -715,7 +715,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)])
|
],[NCELLNODEPERCELL(CELLTYPE(8)),NIP(8)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)), parameter :: CELL9 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)), parameter :: CELL9 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 9,21,12,17,22,27,25, &
|
1, 9,21,12,17,22,27,25, &
|
||||||
|
@ -731,7 +731,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)])
|
],[NCELLNODEPERCELL(CELLTYPE(9)),NIP(9)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)), parameter :: CELL10 = &
|
integer, dimension(NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)), parameter :: CELL10 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1, 9,33,16,17,37,57,44, &
|
1, 9,33,16,17,37,57,44, &
|
||||||
|
@ -766,8 +766,8 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)])
|
],[NCELLNODEPERCELL(CELLTYPE(10)),NIP(10)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)), parameter :: CELLFACE1 = &
|
integer, dimension(NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)), parameter :: CELLFACE1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,3, &
|
2,3, &
|
||||||
|
@ -778,7 +778,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)])
|
],[NCELLNODEPERCELLFACE(1),NIPNEIGHBOR(1)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)), parameter :: CELLFACE2 = &
|
integer, dimension(NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)), parameter :: CELLFACE2 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,3, &
|
2,3, &
|
||||||
|
@ -790,7 +790,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)])
|
],[NCELLNODEPERCELLFACE(2),NIPNEIGHBOR(2)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)), parameter :: CELLFACE3 = &
|
integer, dimension(NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)), parameter :: CELLFACE3 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
1,3,2, &
|
1,3,2, &
|
||||||
|
@ -802,7 +802,7 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)])
|
],[NCELLNODEPERCELLFACE(3),NIPNEIGHBOR(3)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
integer, dimension(NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)), parameter :: CELLFACE4 = &
|
integer, dimension(NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)), parameter :: CELLFACE4 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
2,3,7,6, &
|
2,3,7,6, &
|
||||||
|
@ -816,10 +816,10 @@ module element
|
||||||
#else
|
#else
|
||||||
],[NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)])
|
],[NCELLNODEPERCELLFACE(4),NIPNEIGHBOR(4)])
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
!> define properties of an element
|
!> define properties of an element
|
||||||
|
@ -828,9 +828,9 @@ subroutine tElement_init(self,elemType)
|
||||||
|
|
||||||
class(tElement) :: self
|
class(tElement) :: self
|
||||||
integer, intent(in) :: elemType
|
integer, intent(in) :: elemType
|
||||||
|
|
||||||
self%elemType = elemType
|
self%elemType = elemType
|
||||||
|
|
||||||
self%Nnodes = NNODE (self%elemType)
|
self%Nnodes = NNODE (self%elemType)
|
||||||
self%geomType = GEOMTYPE(self%elemType)
|
self%geomType = GEOMTYPE(self%elemType)
|
||||||
|
|
||||||
|
@ -864,12 +864,12 @@ subroutine tElement_init(self,elemType)
|
||||||
case default
|
case default
|
||||||
call IO_error(0,ext_msg='invalid element type')
|
call IO_error(0,ext_msg='invalid element type')
|
||||||
end select
|
end select
|
||||||
|
|
||||||
|
|
||||||
self%NcellNodes = NCELLNODE(self%geomType)
|
self%NcellNodes = NCELLNODE(self%geomType)
|
||||||
self%nIPs = NIP (self%geomType)
|
self%nIPs = NIP (self%geomType)
|
||||||
self%cellType = CELLTYPE (self%geomType)
|
self%cellType = CELLTYPE (self%geomType)
|
||||||
|
|
||||||
select case (self%geomType)
|
select case (self%geomType)
|
||||||
case(1)
|
case(1)
|
||||||
self%IPneighbor = IPNEIGHBOR1
|
self%IPneighbor = IPNEIGHBOR1
|
||||||
|
@ -904,7 +904,7 @@ subroutine tElement_init(self,elemType)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
self%NcellnodesPerCell = NCELLNODEPERCELL(self%cellType)
|
self%NcellnodesPerCell = NCELLNODEPERCELL(self%cellType)
|
||||||
|
|
||||||
select case(self%cellType)
|
select case(self%cellType)
|
||||||
case(1)
|
case(1)
|
||||||
self%cellFace = CELLFACE1
|
self%cellFace = CELLFACE1
|
||||||
|
@ -919,20 +919,20 @@ subroutine tElement_init(self,elemType)
|
||||||
self%cellFace = CELLFACE4
|
self%cellFace = CELLFACE4
|
||||||
self%vtkType = 'HEXAHEDRON'
|
self%vtkType = 'HEXAHEDRON'
|
||||||
end select
|
end select
|
||||||
|
|
||||||
self%nIPneighbors = size(self%IPneighbor,1)
|
self%nIPneighbors = size(self%IPneighbor,1)
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- element_init -+>>>'; flush(6)
|
write(6,'(/,a)') ' <<<+- element_init -+>>>'; flush(6)
|
||||||
|
|
||||||
write(6,*) ' element type: ',self%elemType
|
print*, 'element type: ',self%elemType
|
||||||
write(6,*) ' geom type: ',self%geomType
|
print*, ' geom type: ',self%geomType
|
||||||
write(6,*) ' cell type: ',self%cellType
|
print*, ' cell type: ',self%cellType
|
||||||
write(6,*) ' # node: ',self%Nnodes
|
print*, ' # node: ',self%Nnodes
|
||||||
write(6,*) ' # IP: ',self%nIPs
|
print*, ' # IP: ',self%nIPs
|
||||||
write(6,*) ' # cellnode: ',self%Ncellnodes
|
print*, ' # cellnode: ',self%Ncellnodes
|
||||||
write(6,*) ' # cellnode/cell: ',self%NcellnodesPerCell
|
print*, ' # cellnode/cell: ',self%NcellnodesPerCell
|
||||||
write(6,*) ' # IP neighbor: ',self%nIPneighbors
|
print*, ' # IP neighbor: ',self%nIPneighbors
|
||||||
|
|
||||||
end subroutine tElement_init
|
end subroutine tElement_init
|
||||||
|
|
||||||
end module element
|
end module element
|
||||||
|
|
|
@ -10,6 +10,7 @@ program DAMASK_grid
|
||||||
#include <petsc/finclude/petscsys.h>
|
#include <petsc/finclude/petscsys.h>
|
||||||
use PETScsys
|
use PETScsys
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
use IO
|
use IO
|
||||||
use config
|
use config
|
||||||
|
@ -113,7 +114,7 @@ program DAMASK_grid
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! reading field paramters from numerics file and do sanity checks
|
! reading field paramters from numerics file and do sanity checks
|
||||||
num_grid => numerics_root%get('grid', defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid', defaultVal=emptyDict)
|
||||||
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
|
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
|
||||||
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
|
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
|
||||||
|
|
||||||
|
@ -123,7 +124,7 @@ program DAMASK_grid
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! assign mechanics solver depending on selected type
|
! assign mechanics solver depending on selected type
|
||||||
|
|
||||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||||
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
|
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
|
||||||
case ('Basic')
|
case ('Basic')
|
||||||
mech_init => grid_mech_spectral_basic_init
|
mech_init => grid_mech_spectral_basic_init
|
||||||
|
@ -158,7 +159,7 @@ program DAMASK_grid
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! reading information from load case file and to sanity checks
|
! reading information from load case file and to sanity checks
|
||||||
fileContent = IO_readlines(trim(loadCaseFile))
|
fileContent = IO_readlines(trim(interface_loadFile))
|
||||||
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
|
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
|
||||||
|
|
||||||
allocate (loadCases(0)) ! array of load cases
|
allocate (loadCases(0)) ! array of load cases
|
||||||
|
@ -178,7 +179,7 @@ program DAMASK_grid
|
||||||
end select
|
end select
|
||||||
enddo
|
enddo
|
||||||
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
|
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
|
||||||
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
|
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(interface_loadFile)) ! error message for incomplete loadcase
|
||||||
|
|
||||||
newLoadCase%stress%myType='stress'
|
newLoadCase%stress%myType='stress'
|
||||||
field = 1
|
field = 1
|
||||||
|
|
|
@ -9,6 +9,7 @@ module discretization_grid
|
||||||
use PETScsys
|
use PETScsys
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use system_routines
|
use system_routines
|
||||||
use base64
|
use base64
|
||||||
use zlib
|
use zlib
|
||||||
|
@ -66,12 +67,16 @@ subroutine discretization_grid_init(restart)
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- discretization_grid init -+>>>'; flush(6)
|
write(6,'(/,a)') ' <<<+- discretization_grid init -+>>>'; flush(6)
|
||||||
|
|
||||||
if(index(geometryFile,'.vtr') /= 0) then
|
if(index(interface_geomFile,'.vtr') /= 0) then
|
||||||
call readVTR(grid,geomSize,origin,microstructureAt)
|
call readVTR(grid,geomSize,origin,microstructureAt)
|
||||||
else
|
else
|
||||||
call readGeom(grid,geomSize,origin,microstructureAt)
|
call readGeom(grid,geomSize,origin,microstructureAt)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
print'(/,a,3(i12 ))', ' grid a b c: ', grid
|
||||||
|
print'(a,3(es12.5))', ' size x y z: ', geomSize
|
||||||
|
print'(a,3(es12.5))', ' origin x y z: ', origin
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! grid solver specific quantities
|
! grid solver specific quantities
|
||||||
if(worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
|
if(worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
|
||||||
|
@ -92,8 +97,8 @@ subroutine discretization_grid_init(restart)
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! debug parameters
|
! debug parameters
|
||||||
debug_element = debug_root%get_asInt('element',defaultVal=1)
|
debug_element = config_debug%get_asInt('element',defaultVal=1)
|
||||||
debug_ip = debug_root%get_asInt('integrationpoint',defaultVal=1)
|
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! general discretization
|
! general discretization
|
||||||
|
@ -172,10 +177,10 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! read raw data as stream
|
! read raw data as stream
|
||||||
inquire(file = trim(geometryFile), size=fileLength)
|
inquire(file = trim(interface_geomFile), size=fileLength)
|
||||||
open(newunit=fileUnit, file=trim(geometryFile), access='stream',&
|
open(newunit=fileUnit, file=trim(interface_geomFile), access='stream',&
|
||||||
status='old', position='rewind', action='read',iostat=myStat)
|
status='old', position='rewind', action='read',iostat=myStat)
|
||||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(geometryFile))
|
if(myStat /= 0) call IO_error(100,ext_msg=trim(interface_geomFile))
|
||||||
allocate(character(len=fileLength)::rawData)
|
allocate(character(len=fileLength)::rawData)
|
||||||
read(fileUnit) rawData
|
read(fileUnit) rawData
|
||||||
close(fileUnit)
|
close(fileUnit)
|
||||||
|
@ -326,10 +331,10 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! read raw data as stream
|
! read raw data as stream
|
||||||
inquire(file = trim(geometryFile), size=fileLength)
|
inquire(file = trim(interface_geomFile), size=fileLength)
|
||||||
open(newunit=fileUnit, file=trim(geometryFile), access='stream',&
|
open(newunit=fileUnit, file=trim(interface_geomFile), access='stream',&
|
||||||
status='old', position='rewind', action='read',iostat=myStat)
|
status='old', position='rewind', action='read',iostat=myStat)
|
||||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(geometryFile))
|
if(myStat /= 0) call IO_error(100,ext_msg=trim(interface_geomFile))
|
||||||
allocate(character(len=fileLength)::fileContent)
|
allocate(character(len=fileLength)::fileContent)
|
||||||
read(fileUnit) fileContent
|
read(fileUnit) fileContent
|
||||||
close(fileUnit)
|
close(fileUnit)
|
||||||
|
@ -457,13 +462,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
||||||
|
|
||||||
select case(dataType)
|
select case(dataType)
|
||||||
case('Int32')
|
case('Int32')
|
||||||
as_Int = int(bytes_to_C_INT32_T(asBytes(base64_str,headerType,compressed)))
|
as_Int = int(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed)))
|
||||||
case('Int64')
|
case('Int64')
|
||||||
as_Int = int(bytes_to_C_INT64_T(asBytes(base64_str,headerType,compressed)))
|
as_Int = int(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed)))
|
||||||
case('Float32')
|
case('Float32')
|
||||||
as_Int = int(bytes_to_C_FLOAT (asBytes(base64_str,headerType,compressed)))
|
as_Int = int(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed)))
|
||||||
case('Float64')
|
case('Float64')
|
||||||
as_Int = int(bytes_to_C_DOUBLE (asBytes(base64_str,headerType,compressed)))
|
as_Int = int(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed)))
|
||||||
case default
|
case default
|
||||||
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
||||||
end select
|
end select
|
||||||
|
@ -485,13 +490,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
||||||
|
|
||||||
select case(dataType)
|
select case(dataType)
|
||||||
case('Int32')
|
case('Int32')
|
||||||
as_pReal = real(bytes_to_C_INT32_T(asBytes(base64_str,headerType,compressed)),pReal)
|
as_pReal = real(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||||
case('Int64')
|
case('Int64')
|
||||||
as_pReal = real(bytes_to_C_INT64_T(asBytes(base64_str,headerType,compressed)),pReal)
|
as_pReal = real(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||||
case('Float32')
|
case('Float32')
|
||||||
as_pReal = real(bytes_to_C_FLOAT (asBytes(base64_str,headerType,compressed)),pReal)
|
as_pReal = real(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed)),pReal)
|
||||||
case('Float64')
|
case('Float64')
|
||||||
as_pReal = real(bytes_to_C_DOUBLE (asBytes(base64_str,headerType,compressed)),pReal)
|
as_pReal = real(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed)),pReal)
|
||||||
case default
|
case default
|
||||||
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
||||||
end select
|
end select
|
||||||
|
@ -538,15 +543,15 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
||||||
integer(pI64) :: headerLen, nBlock, b,s,e
|
integer(pI64) :: headerLen, nBlock, b,s,e
|
||||||
|
|
||||||
if (headerType == 'UInt32') then
|
if (headerType == 'UInt32') then
|
||||||
temp = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
||||||
nBlock = int(temp(1),pI64)
|
nBlock = int(temp(1),pI64)
|
||||||
headerLen = 4_pI64 * (3_pI64 + nBlock)
|
headerLen = 4_pI64 * (3_pI64 + nBlock)
|
||||||
temp = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||||
elseif(headerType == 'UInt64') then
|
elseif(headerType == 'UInt64') then
|
||||||
temp = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64)
|
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64)
|
||||||
nBlock = int(temp(1),pI64)
|
nBlock = int(temp(1),pI64)
|
||||||
headerLen = 8_pI64 * (3_pI64 + nBlock)
|
headerLen = 8_pI64 * (3_pI64 + nBlock)
|
||||||
temp = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
allocate(size_inflated(nBlock),source=temp(2))
|
allocate(size_inflated(nBlock),source=temp(2))
|
||||||
|
@ -584,13 +589,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
||||||
s=0_pI64
|
s=0_pI64
|
||||||
if (headerType == 'UInt32') then
|
if (headerType == 'UInt32') then
|
||||||
do while(s+base64_nChar(4_pI64)<(len(base64_str,pI64)))
|
do while(s+base64_nChar(4_pI64)<(len(base64_str,pI64)))
|
||||||
nByte = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64)
|
nByte = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64)
|
||||||
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64+nByte(1))),5_pI64)]
|
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64+nByte(1))),5_pI64)]
|
||||||
s = s + base64_nChar(4_pI64+nByte(1))
|
s = s + base64_nChar(4_pI64+nByte(1))
|
||||||
enddo
|
enddo
|
||||||
elseif(headerType == 'UInt64') then
|
elseif(headerType == 'UInt64') then
|
||||||
do while(s+base64_nChar(8_pI64)<(len(base64_str,pI64)))
|
do while(s+base64_nChar(8_pI64)<(len(base64_str,pI64)))
|
||||||
nByte = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64)
|
nByte = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64)
|
||||||
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64+nByte(1))),9_pI64)]
|
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64+nByte(1))),9_pI64)]
|
||||||
s = s + base64_nChar(8_pI64+nByte(1))
|
s = s + base64_nChar(8_pI64+nByte(1))
|
||||||
enddo
|
enddo
|
||||||
|
|
|
@ -11,12 +11,13 @@ module grid_damage_spectral
|
||||||
use PETScsnes
|
use PETScsnes
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use spectral_utilities
|
use spectral_utilities
|
||||||
use discretization_grid
|
use discretization_grid
|
||||||
use damage_nonlocal
|
use damage_nonlocal
|
||||||
use config
|
|
||||||
use YAML_types
|
use YAML_types
|
||||||
|
use config
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
@ -83,12 +84,12 @@ subroutine grid_damage_spectral_init
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! read numerical parameters and do sanity checks
|
! read numerical parameters and do sanity checks
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||||||
num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal)
|
num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal)
|
||||||
num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
|
num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
|
||||||
|
|
||||||
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
|
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
|
||||||
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
||||||
|
|
||||||
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
||||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_FEM
|
||||||
use PETScsnes
|
use PETScsnes
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
use HDF5_utilities
|
use HDF5_utilities
|
||||||
use math
|
use math
|
||||||
|
@ -125,12 +126,12 @@ subroutine grid_mech_FEM_init
|
||||||
|
|
||||||
!-----------------------------------------------------------------------------------------------
|
!-----------------------------------------------------------------------------------------------
|
||||||
! debugging options
|
! debugging options
|
||||||
debug_grid => debug_root%get('grid', defaultVal=emptyList)
|
debug_grid => config_debug%get('grid', defaultVal=emptyList)
|
||||||
debugRotation = debug_grid%contains('rotation')
|
debugRotation = debug_grid%contains('rotation')
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! read numerical parameter and do sanity checks
|
! read numerical parameter and do sanity checks
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||||
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||||||
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
|
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
|
||||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_spectral_basic
|
||||||
use PETScsnes
|
use PETScsnes
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
use HDF5_utilities
|
use HDF5_utilities
|
||||||
use math
|
use math
|
||||||
|
@ -119,12 +120,12 @@ subroutine grid_mech_spectral_basic_init
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! debugging options
|
! debugging options
|
||||||
debug_grid => debug_root%get('grid', defaultVal=emptyList)
|
debug_grid => config_debug%get('grid', defaultVal=emptyList)
|
||||||
debugRotation = debug_grid%contains('rotation')
|
debugRotation = debug_grid%contains('rotation')
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! read numerical parameters and do sanity checks
|
! read numerical parameters and do sanity checks
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
|
|
||||||
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
||||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_spectral_polarisation
|
||||||
use PETScsnes
|
use PETScsnes
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
use HDF5_utilities
|
use HDF5_utilities
|
||||||
use math
|
use math
|
||||||
|
@ -129,12 +130,12 @@ subroutine grid_mech_spectral_polarisation_init
|
||||||
|
|
||||||
!------------------------------------------------------------------------------------------------
|
!------------------------------------------------------------------------------------------------
|
||||||
! debugging options
|
! debugging options
|
||||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||||
debugRotation = debug_grid%contains('rotation')
|
debugRotation = debug_grid%contains('rotation')
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! read numerical parameters
|
! read numerical parameters
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
|
|
||||||
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
||||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||||
|
|
|
@ -11,6 +11,7 @@ module grid_thermal_spectral
|
||||||
use PETScsnes
|
use PETScsnes
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use spectral_utilities
|
use spectral_utilities
|
||||||
use discretization_grid
|
use discretization_grid
|
||||||
|
@ -80,7 +81,7 @@ subroutine grid_thermal_spectral_init
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! read numerical parameter and do sanity checks
|
! read numerical parameter and do sanity checks
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
|
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
|
||||||
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
|
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
|
||||||
num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
|
num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
|
||||||
|
|
|
@ -10,11 +10,11 @@ module spectral_utilities
|
||||||
|
|
||||||
use prec
|
use prec
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
use parallelization
|
||||||
use math
|
use math
|
||||||
use rotations
|
use rotations
|
||||||
use IO
|
use IO
|
||||||
use discretization_grid
|
use discretization_grid
|
||||||
use config
|
|
||||||
use discretization
|
use discretization
|
||||||
use homogenization
|
use homogenization
|
||||||
|
|
||||||
|
@ -109,15 +109,10 @@ module spectral_utilities
|
||||||
end type tSolutionParams
|
end type tSolutionParams
|
||||||
|
|
||||||
type, private :: tNumerics
|
type, private :: tNumerics
|
||||||
real(pReal) :: &
|
|
||||||
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
|
|
||||||
integer :: &
|
integer :: &
|
||||||
divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
|
divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
|
||||||
logical :: &
|
logical :: &
|
||||||
memory_efficient !< calculate gamma operator on the fly
|
memory_efficient !< calculate gamma operator on the fly
|
||||||
character(len=:), allocatable :: &
|
|
||||||
spectral_derivative, & !< approximation used for derivatives in Fourier space
|
|
||||||
FFTW_plan_mode !< FFTW plan mode, see www.fftw.org
|
|
||||||
end type tNumerics
|
end type tNumerics
|
||||||
|
|
||||||
type(tNumerics), private :: num ! numerics parameters. Better name?
|
type(tNumerics), private :: num ! numerics parameters. Better name?
|
||||||
|
@ -191,23 +186,23 @@ subroutine spectral_utilities_init
|
||||||
num_grid, &
|
num_grid, &
|
||||||
debug_grid ! pointer to grid debug options
|
debug_grid ! pointer to grid debug options
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
print'(/,a)', ' <<<+- spectral_utilities init -+>>>'
|
||||||
|
|
||||||
write(6,'(/,a)') ' Diehl, Diploma Thesis TU München, 2010'
|
print*, 'Diehl, Diploma Thesis TU München, 2010'
|
||||||
write(6,'(a)') ' https://doi.org/10.13140/2.1.3234.3840'
|
print*, 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
|
||||||
|
|
||||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
||||||
|
|
||||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
|
||||||
|
|
||||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||||
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
|
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! set debugging parameters
|
! set debugging parameters
|
||||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||||
debugGeneral = debug_grid%contains('basic')
|
debugGeneral = debug_grid%contains('basic')
|
||||||
debugRotation = debug_grid%contains('rotation')
|
debugRotation = debug_grid%contains('rotation')
|
||||||
debugPETSc = debug_grid%contains('petsc')
|
debugPETSc = debug_grid%contains('petsc')
|
||||||
|
@ -218,7 +213,7 @@ subroutine spectral_utilities_init
|
||||||
trim(PETScDebug), &
|
trim(PETScDebug), &
|
||||||
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
|
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
|
||||||
|
|
||||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||||
|
|
||||||
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
|
@ -231,19 +226,13 @@ subroutine spectral_utilities_init
|
||||||
grid1Red = grid(1)/2 + 1
|
grid1Red = grid(1)/2 + 1
|
||||||
wgt = 1.0/real(product(grid),pReal)
|
wgt = 1.0/real(product(grid),pReal)
|
||||||
|
|
||||||
write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid
|
num%memory_efficient = num_grid%get_asInt('memory_efficient', defaultVal=1) > 0 ! ToDo: should be logical in YAML file
|
||||||
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
|
num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2)
|
||||||
|
|
||||||
num%memory_efficient = num_grid%get_asInt ('memory_efficient', defaultVal=1) > 0
|
|
||||||
num%FFTW_timelimit = num_grid%get_asFloat ('fftw_timelimit', defaultVal=-1.0_pReal)
|
|
||||||
num%divergence_correction = num_grid%get_asInt ('divergence_correction', defaultVal=2)
|
|
||||||
num%spectral_derivative = num_grid%get_asString('derivative', defaultVal='continuous')
|
|
||||||
num%FFTW_plan_mode = num_grid%get_asString('fftw_plan_mode', defaultVal='FFTW_MEASURE')
|
|
||||||
|
|
||||||
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
|
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
|
||||||
call IO_error(301,ext_msg='divergence_correction')
|
call IO_error(301,ext_msg='divergence_correction')
|
||||||
|
|
||||||
select case (num%spectral_derivative)
|
select case (num_grid%get_asString('derivative',defaultVal='continuous'))
|
||||||
case ('continuous')
|
case ('continuous')
|
||||||
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
|
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
|
||||||
case ('central_difference')
|
case ('central_difference')
|
||||||
|
@ -251,7 +240,7 @@ subroutine spectral_utilities_init
|
||||||
case ('FWBW_difference')
|
case ('FWBW_difference')
|
||||||
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
|
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
|
||||||
case default
|
case default
|
||||||
call IO_error(892,ext_msg=trim(num%spectral_derivative))
|
call IO_error(892,ext_msg=trim(num_grid%get_asString('derivative')))
|
||||||
end select
|
end select
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -272,8 +261,7 @@ subroutine spectral_utilities_init
|
||||||
scaledGeomSize = geomSize
|
scaledGeomSize = geomSize
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
select case(IO_lc(num_grid%get_asString('fftw_plan_mode',defaultVal='FFTW_MEASURE')))
|
||||||
select case(IO_lc(num%FFTW_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
|
|
||||||
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
|
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
|
||||||
FFTW_planner_flag = FFTW_ESTIMATE
|
FFTW_planner_flag = FFTW_ESTIMATE
|
||||||
case('fftw_measure')
|
case('fftw_measure')
|
||||||
|
@ -283,14 +271,14 @@ subroutine spectral_utilities_init
|
||||||
case('fftw_exhaustive')
|
case('fftw_exhaustive')
|
||||||
FFTW_planner_flag = FFTW_EXHAUSTIVE
|
FFTW_planner_flag = FFTW_EXHAUSTIVE
|
||||||
case default
|
case default
|
||||||
call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num%FFTW_plan_mode)))
|
call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num_grid%get_asString('fftw_plan_mode'))))
|
||||||
FFTW_planner_flag = FFTW_MEASURE
|
FFTW_planner_flag = FFTW_MEASURE
|
||||||
end select
|
end select
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! general initialization of FFTW (see manual on fftw.org for more details)
|
! general initialization of FFTW (see manual on fftw.org for more details)
|
||||||
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) call IO_error(0,ext_msg='Fortran to C') ! check for correct precision in C
|
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
|
||||||
call fftw_set_timelimit(num%FFTW_timelimit) ! set timelimit for plan creation
|
call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
|
||||||
|
|
||||||
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)
|
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)
|
||||||
|
|
||||||
|
@ -731,7 +719,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! check if inversion was successful
|
! check if inversion was successful
|
||||||
sTimesC = matmul(c_reduced,s_reduced)
|
sTimesC = matmul(c_reduced,s_reduced)
|
||||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_identity2nd(size_reduced),1.0e-12_pReal))
|
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
|
||||||
if (debugGeneral .or. errmatinv) then
|
if (debugGeneral .or. errmatinv) then
|
||||||
write(formatString, '(i2)') size_reduced
|
write(formatString, '(i2)') size_reduced
|
||||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||||
|
@ -1104,11 +1092,13 @@ end subroutine utilities_updateCoords
|
||||||
subroutine utilities_saveReferenceStiffness
|
subroutine utilities_saveReferenceStiffness
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
fileUnit
|
fileUnit,ierr
|
||||||
|
|
||||||
if (worldrank == 0) then
|
if (worldrank == 0) then
|
||||||
write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
|
write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
|
||||||
fileUnit = IO_open_binary(trim(getSolverJobName())//'.C_ref','w')
|
open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
|
||||||
|
status='replace',access='stream',action='write',iostat=ierr)
|
||||||
|
if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')
|
||||||
write(fileUnit) C_ref
|
write(fileUnit) C_ref
|
||||||
close(fileUnit)
|
close(fileUnit)
|
||||||
endif
|
endif
|
||||||
|
|
|
@ -149,20 +149,20 @@ subroutine homogenization_init
|
||||||
num_homogGeneric, &
|
num_homogGeneric, &
|
||||||
debug_homogenization
|
debug_homogenization
|
||||||
|
|
||||||
debug_homogenization => debug_root%get('homogenization', defaultVal=emptyList)
|
debug_homogenization => config_debug%get('homogenization', defaultVal=emptyList)
|
||||||
debugHomog%basic = debug_homogenization%contains('basic')
|
debugHomog%basic = debug_homogenization%contains('basic')
|
||||||
debugHomog%extensive = debug_homogenization%contains('extensive')
|
debugHomog%extensive = debug_homogenization%contains('extensive')
|
||||||
debugHomog%selective = debug_homogenization%contains('selective')
|
debugHomog%selective = debug_homogenization%contains('selective')
|
||||||
debugHomog%element = debug_root%get_asInt('element',defaultVal = 1)
|
debugHomog%element = config_debug%get_asInt('element',defaultVal = 1)
|
||||||
debugHomog%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
|
debugHomog%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||||
debugHomog%grain = debug_root%get_asInt('grain',defaultVal = 1)
|
debugHomog%grain = config_debug%get_asInt('grain',defaultVal = 1)
|
||||||
|
|
||||||
if (debugHomog%grain < 1 &
|
if (debugHomog%grain < 1 &
|
||||||
.or. debugHomog%grain > homogenization_Ngrains(material_homogenizationAt(debugHomog%element))) &
|
.or. debugHomog%grain > homogenization_Ngrains(material_homogenizationAt(debugHomog%element))) &
|
||||||
call IO_error(602,ext_msg='constituent', el=debugHomog%element, g=debugHomog%grain)
|
call IO_error(602,ext_msg='constituent', el=debugHomog%element, g=debugHomog%grain)
|
||||||
|
|
||||||
|
|
||||||
num_homog => numerics_root%get('homogenization',defaultVal=emptyDict)
|
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
|
||||||
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
|
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
|
||||||
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
|
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
|
||||||
|
|
||||||
|
|
|
@ -139,7 +139,7 @@ module subroutine mech_RGC_init(num_homogMech)
|
||||||
if (num%volDiscrPow <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
|
if (num%volDiscrPow <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
|
||||||
|
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, size(homogenization_type)
|
do h = 1, size(homogenization_type)
|
||||||
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
|
@ -244,7 +244,7 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
|
||||||
do i = 1,3
|
do i = 1,3
|
||||||
write(6,'(1x,3(e15.8,1x))')(F(i,j,iGrain), j = 1,3)
|
write(6,'(1x,3(e15.8,1x))')(F(i,j,iGrain), j = 1,3)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -307,7 +307,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,size(stt%relaxationVector(:,of))
|
do i = 1,size(stt%relaxationVector(:,of))
|
||||||
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
@ -330,7 +330,7 @@ module procedure mech_RGC_updateState
|
||||||
(R(i,j,iGrain), j = 1,3), &
|
(R(i,j,iGrain), j = 1,3), &
|
||||||
(D(i,j,iGrain), j = 1,3)
|
(D(i,j,iGrain), j = 1,3)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -371,7 +371,7 @@ module procedure mech_RGC_updateState
|
||||||
if (debugHomog%extensive) then
|
if (debugHomog%extensive) then
|
||||||
write(6,'(1x,a30,1x,i3)')'Traction at interface: ',iNum
|
write(6,'(1x,a30,1x,i3)')'Traction at interface: ',iNum
|
||||||
write(6,'(1x,3(e15.8,1x))')(tract(iNum,j), j = 1,3)
|
write(6,'(1x,3(e15.8,1x))')(tract(iNum,j), j = 1,3)
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
enddo
|
enddo
|
||||||
|
@ -513,7 +513,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,3*nIntFaceTot
|
do i = 1,3*nIntFaceTot
|
||||||
write(6,'(1x,100(e11.4,1x))')(smatrix(i,j), j = 1,3*nIntFaceTot)
|
write(6,'(1x,100(e11.4,1x))')(smatrix(i,j), j = 1,3*nIntFaceTot)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -573,7 +573,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,3*nIntFaceTot
|
do i = 1,3*nIntFaceTot
|
||||||
write(6,'(1x,100(e11.4,1x))')(pmatrix(i,j), j = 1,3*nIntFaceTot)
|
write(6,'(1x,100(e11.4,1x))')(pmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -592,7 +592,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,3*nIntFaceTot
|
do i = 1,3*nIntFaceTot
|
||||||
write(6,'(1x,100(e11.4,1x))')(rmatrix(i,j), j = 1,3*nIntFaceTot)
|
write(6,'(1x,100(e11.4,1x))')(rmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -607,7 +607,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,3*nIntFaceTot
|
do i = 1,3*nIntFaceTot
|
||||||
write(6,'(1x,100(e11.4,1x))')(jmatrix(i,j), j = 1,3*nIntFaceTot)
|
write(6,'(1x,100(e11.4,1x))')(jmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -623,7 +623,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,3*nIntFaceTot
|
do i = 1,3*nIntFaceTot
|
||||||
write(6,'(1x,100(e11.4,1x))')(jnverse(i,j), j = 1,3*nIntFaceTot)
|
write(6,'(1x,100(e11.4,1x))')(jnverse(i,j), j = 1,3*nIntFaceTot)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -650,7 +650,7 @@ module procedure mech_RGC_updateState
|
||||||
do i = 1,size(stt%relaxationVector(:,of))
|
do i = 1,size(stt%relaxationVector(:,of))
|
||||||
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
||||||
enddo
|
enddo
|
||||||
write(6,*)' '
|
print*,' '
|
||||||
flush(6)
|
flush(6)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -699,7 +699,7 @@ module procedure mech_RGC_updateState
|
||||||
|
|
||||||
if (debugActive) then
|
if (debugActive) then
|
||||||
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
|
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
|
||||||
write(6,*) surfCorr
|
print*, surfCorr
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
@ -740,7 +740,7 @@ module procedure mech_RGC_updateState
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (debugActive) then
|
if (debugActive) then
|
||||||
write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
|
write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
|
||||||
write(6,*) transpose(nDef)
|
print*, transpose(nDef)
|
||||||
write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
|
write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
@ -758,7 +758,7 @@ module procedure mech_RGC_updateState
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (debugActive) then
|
if (debugActive) then
|
||||||
write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
|
write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
|
||||||
write(6,*) transpose(rPen(1:3,1:3,iGrain))
|
print*, transpose(rPen(1:3,1:3,iGrain))
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
@ -808,7 +808,7 @@ module procedure mech_RGC_updateState
|
||||||
if (debugHomog%extensive &
|
if (debugHomog%extensive &
|
||||||
.and. param(instance)%of_debug == of) then
|
.and. param(instance)%of_debug == of) then
|
||||||
write(6,'(1x,a30,i2)')'Volume penalty of grain: ',i
|
write(6,'(1x,a30,i2)')'Volume penalty of grain: ',i
|
||||||
write(6,*) transpose(vPen(:,:,i))
|
print*, transpose(vPen(:,:,i))
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
enddo
|
enddo
|
||||||
|
|
|
@ -10,16 +10,16 @@ submodule(homogenization) homogenization_mech_isostrain
|
||||||
parallel_ID, &
|
parallel_ID, &
|
||||||
average_ID
|
average_ID
|
||||||
end enum
|
end enum
|
||||||
|
|
||||||
type :: tParameters !< container type for internal constitutive parameters
|
type :: tParameters !< container type for internal constitutive parameters
|
||||||
integer :: &
|
integer :: &
|
||||||
Nconstituents
|
Nconstituents
|
||||||
integer(kind(average_ID)) :: &
|
integer(kind(average_ID)) :: &
|
||||||
mapping
|
mapping
|
||||||
end type
|
end type
|
||||||
|
|
||||||
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
|
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
|
||||||
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
@ -36,21 +36,21 @@ module subroutine mech_isostrain_init
|
||||||
material_homogenization, &
|
material_homogenization, &
|
||||||
homog, &
|
homog, &
|
||||||
homogMech
|
homogMech
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- homogenization_mech_isostrain init -+>>>'
|
write(6,'(/,a)') ' <<<+- homogenization_mech_isostrain init -+>>>'
|
||||||
|
|
||||||
Ninstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
|
Ninstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
|
|
||||||
allocate(param(Ninstance)) ! one container of parameters per instance
|
allocate(param(Ninstance)) ! one container of parameters per instance
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, size(homogenization_type)
|
do h = 1, size(homogenization_type)
|
||||||
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
|
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
homogMech => homog%get('mech')
|
homogMech => homog%get('mech')
|
||||||
associate(prm => param(homogenization_typeInstance(h)))
|
associate(prm => param(homogenization_typeInstance(h)))
|
||||||
|
|
||||||
prm%Nconstituents = homogMech%get_asInt('N_constituents')
|
prm%Nconstituents = homogMech%get_asInt('N_constituents')
|
||||||
select case(homogMech%get_asString('mapping',defaultVal = 'sum'))
|
select case(homogMech%get_asString('mapping',defaultVal = 'sum'))
|
||||||
case ('sum')
|
case ('sum')
|
||||||
|
@ -60,15 +60,15 @@ module subroutine mech_isostrain_init
|
||||||
case default
|
case default
|
||||||
call IO_error(211,ext_msg='sum'//' (mech_isostrain)')
|
call IO_error(211,ext_msg='sum'//' (mech_isostrain)')
|
||||||
end select
|
end select
|
||||||
|
|
||||||
NofMyHomog = count(material_homogenizationAt == h)
|
NofMyHomog = count(material_homogenizationAt == h)
|
||||||
homogState(h)%sizeState = 0
|
homogState(h)%sizeState = 0
|
||||||
allocate(homogState(h)%state0 (0,NofMyHomog))
|
allocate(homogState(h)%state0 (0,NofMyHomog))
|
||||||
allocate(homogState(h)%subState0(0,NofMyHomog))
|
allocate(homogState(h)%subState0(0,NofMyHomog))
|
||||||
allocate(homogState(h)%state (0,NofMyHomog))
|
allocate(homogState(h)%state (0,NofMyHomog))
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end subroutine mech_isostrain_init
|
end subroutine mech_isostrain_init
|
||||||
|
@ -78,30 +78,30 @@ end subroutine mech_isostrain_init
|
||||||
!> @brief partitions the deformation gradient onto the constituents
|
!> @brief partitions the deformation gradient onto the constituents
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine mech_isostrain_partitionDeformation(F,avgF)
|
module subroutine mech_isostrain_partitionDeformation(F,avgF)
|
||||||
|
|
||||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||||
|
|
||||||
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||||
|
|
||||||
F = spread(avgF,3,size(F,3))
|
F = spread(avgF,3,size(F,3))
|
||||||
|
|
||||||
end subroutine mech_isostrain_partitionDeformation
|
end subroutine mech_isostrain_partitionDeformation
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief derive average stress and stiffness from constituent quantities
|
!> @brief derive average stress and stiffness from constituent quantities
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||||
|
|
||||||
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||||
|
|
||||||
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
|
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
|
||||||
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||||
integer, intent(in) :: instance
|
integer, intent(in) :: instance
|
||||||
|
|
||||||
associate(prm => param(instance))
|
associate(prm => param(instance))
|
||||||
|
|
||||||
select case (prm%mapping)
|
select case (prm%mapping)
|
||||||
case (parallel_ID)
|
case (parallel_ID)
|
||||||
avgP = sum(P,3)
|
avgP = sum(P,3)
|
||||||
|
@ -110,7 +110,7 @@ module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dP
|
||||||
avgP = sum(P,3) /real(prm%Nconstituents,pReal)
|
avgP = sum(P,3) /real(prm%Nconstituents,pReal)
|
||||||
dAvgPdAvgF = sum(dPdF,5)/real(prm%Nconstituents,pReal)
|
dAvgPdAvgF = sum(dPdF,5)/real(prm%Nconstituents,pReal)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
end subroutine mech_isostrain_averageStressAndItsTangent
|
end subroutine mech_isostrain_averageStressAndItsTangent
|
||||||
|
|
|
@ -53,7 +53,7 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(kinematics_cleavage_opening_instance(phases%length), source=0)
|
allocate(kinematics_cleavage_opening_instance(phases%length), source=0)
|
||||||
|
|
||||||
|
|
|
@ -56,7 +56,7 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(kinematics_slipplane_opening_instance(phases%length), source=0)
|
allocate(kinematics_slipplane_opening_instance(phases%length), source=0)
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
|
|
||||||
|
|
|
@ -46,7 +46,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(kinematics_thermal_expansion_instance(phases%length), source=0)
|
allocate(kinematics_thermal_expansion_instance(phases%length), source=0)
|
||||||
|
|
||||||
|
|
|
@ -459,7 +459,7 @@ subroutine lattice_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- lattice init -+>>>'; flush(6)
|
write(6,'(/,a)') ' <<<+- lattice init -+>>>'; flush(6)
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
Nphases = phases%length
|
Nphases = phases%length
|
||||||
|
|
||||||
allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
|
allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
|
||||||
|
@ -738,7 +738,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
|
||||||
type(rotation) :: R
|
type(rotation) :: R
|
||||||
integer :: i
|
integer :: i
|
||||||
|
|
||||||
if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix')
|
if (abs(sense) /= 1) error stop 'Sense in lattice_nonSchmidMatrix'
|
||||||
|
|
||||||
coordinateSystem = buildCoordinateSystem(Nslip,BCC_NSLIPSYSTEM,BCC_SYSTEMSLIP,&
|
coordinateSystem = buildCoordinateSystem(Nslip,BCC_NSLIPSYSTEM,BCC_SYSTEMSLIP,&
|
||||||
'bcc',0.0_pReal)
|
'bcc',0.0_pReal)
|
||||||
|
@ -2299,7 +2299,7 @@ end function equivalent_mu
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief check correctness of some lattice functions
|
!> @brief Check correctness of some lattice functions.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine selfTest
|
subroutine selfTest
|
||||||
|
|
||||||
|
@ -2314,21 +2314,19 @@ subroutine selfTest
|
||||||
|
|
||||||
system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1])
|
system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1])
|
||||||
CoSy = buildCoordinateSystem([1],[1],system,'fcc',0.0_pReal)
|
CoSy = buildCoordinateSystem([1],[1],system,'fcc',0.0_pReal)
|
||||||
if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) &
|
if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
|
||||||
call IO_error(0)
|
|
||||||
|
|
||||||
call random_number(C)
|
call random_number(C)
|
||||||
C(1,1) = C(1,1) + 1.0_pReal
|
C(1,1) = C(1,1) + 1.0_pReal
|
||||||
C = applyLatticeSymmetryC66(C,'iso')
|
C = applyLatticeSymmetryC66(C,'iso')
|
||||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) &
|
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
|
||||||
call IO_error(0,ext_msg='equivalent_mu/voigt')
|
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss'
|
||||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) &
|
|
||||||
call IO_error(0,ext_msg='equivalent_mu/reuss')
|
|
||||||
lambda = C(1,2)
|
lambda = C(1,2)
|
||||||
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'voigt')),equivalent_nu(C,'voigt'),1.0e-12_pReal)) &
|
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'voigt')),equivalent_nu(C,'voigt'),1.0e-12_pReal)) &
|
||||||
call IO_error(0,ext_msg='equivalent_nu/voigt')
|
error stop 'equivalent_nu/voigt'
|
||||||
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'reuss')),equivalent_nu(C,'reuss'),1.0e-12_pReal)) &
|
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'reuss')),equivalent_nu(C,'reuss'),1.0e-12_pReal)) &
|
||||||
call IO_error(0,ext_msg='equivalent_nu/reuss')
|
error stop 'equivalent_nu/reuss'
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
||||||
|
|
453
src/list.f90
453
src/list.f90
|
@ -1,453 +0,0 @@
|
||||||
!-------------------------------------------------------------------------------------------------
|
|
||||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
|
||||||
!> @brief Linked list
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
module list
|
|
||||||
use prec
|
|
||||||
use IO
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
private
|
|
||||||
type, private :: tPartitionedString
|
|
||||||
character(len=:), allocatable :: val
|
|
||||||
integer, dimension(:), allocatable :: pos
|
|
||||||
end type tPartitionedString
|
|
||||||
|
|
||||||
type, public :: tPartitionedStringList
|
|
||||||
type(tPartitionedString) :: string
|
|
||||||
type(tPartitionedStringList), pointer :: next => null()
|
|
||||||
contains
|
|
||||||
procedure :: add => add
|
|
||||||
procedure :: show => show
|
|
||||||
procedure :: free => free
|
|
||||||
|
|
||||||
! currently, a finalize is needed for all shapes of tPartitionedStringList.
|
|
||||||
! with Fortran 2015, we can define one recursive elemental function
|
|
||||||
! https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/543326
|
|
||||||
final :: finalize, &
|
|
||||||
finalizeArray
|
|
||||||
|
|
||||||
procedure :: keyExists => keyExists
|
|
||||||
procedure :: countKeys => countKeys
|
|
||||||
|
|
||||||
procedure :: getFloat => getFloat
|
|
||||||
procedure :: getInt => getInt
|
|
||||||
procedure :: getString => getString
|
|
||||||
|
|
||||||
procedure :: getFloats => getFloats
|
|
||||||
procedure :: getInts => getInts
|
|
||||||
procedure :: getStrings => getStrings
|
|
||||||
|
|
||||||
end type tPartitionedStringList
|
|
||||||
|
|
||||||
contains
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief add element
|
|
||||||
!> @details Adds a string together with the start/end position of chunks in this string. The new
|
|
||||||
!! element is added at the end of the list. Empty strings are not added. All strings are converted
|
|
||||||
!! to lower case. The data is not stored in the new element but in the current.
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine add(this,string)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: string
|
|
||||||
type(tPartitionedStringList), pointer :: new, temp
|
|
||||||
|
|
||||||
if (IO_isBlank(string)) return
|
|
||||||
|
|
||||||
allocate(new)
|
|
||||||
temp => this
|
|
||||||
do while (associated(temp%next))
|
|
||||||
temp => temp%next
|
|
||||||
enddo
|
|
||||||
temp%string%val = IO_lc (trim(string))
|
|
||||||
temp%string%pos = IO_stringPos(trim(string))
|
|
||||||
temp%next => new
|
|
||||||
|
|
||||||
end subroutine add
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief prints all elements
|
|
||||||
!> @details Strings are printed in order of insertion (FIFO)
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine show(this)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
write(6,'(a)') ' '//trim(item%string%val)
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
end subroutine show
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief empties list and frees associated memory
|
|
||||||
!> @details explicit interface to reset list. Triggers final statement (and following chain reaction)
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine free(this)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), intent(inout) :: this
|
|
||||||
|
|
||||||
if(associated(this%next)) deallocate(this%next)
|
|
||||||
|
|
||||||
end subroutine free
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief empties list and frees associated memory
|
|
||||||
!> @details called when variable goes out of scope. Triggers chain reaction for list
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
recursive subroutine finalize(this)
|
|
||||||
|
|
||||||
type(tPartitionedStringList), intent(inout) :: this
|
|
||||||
|
|
||||||
if(associated(this%next)) deallocate(this%next)
|
|
||||||
|
|
||||||
end subroutine finalize
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief cleans entire array of linke lists
|
|
||||||
!> @details called when variable goes out of scope and deallocates the list at each array entry
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine finalizeArray(this)
|
|
||||||
|
|
||||||
integer :: i
|
|
||||||
type(tPartitionedStringList), intent(inout), dimension(:) :: this
|
|
||||||
type(tPartitionedStringList), pointer :: temp ! bug in Gfortran?
|
|
||||||
|
|
||||||
do i=1, size(this)
|
|
||||||
if (associated(this(i)%next)) then
|
|
||||||
temp => this(i)%next
|
|
||||||
!deallocate(this(i)) !internal compiler error: in gfc_build_final_call, at fortran/trans.c:975
|
|
||||||
deallocate(temp)
|
|
||||||
endif
|
|
||||||
enddo
|
|
||||||
|
|
||||||
end subroutine finalizeArray
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief reports wether a given key (string value at first position) exists in the list
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
logical function keyExists(this,key)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
|
|
||||||
keyExists = .false.
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next) .and. .not. keyExists)
|
|
||||||
keyExists = trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
end function keyExists
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief count number of key appearances
|
|
||||||
!> @details traverses list and counts each occurrence of specified key
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
integer function countKeys(this,key)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
|
|
||||||
countKeys = 0
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) &
|
|
||||||
countKeys = countKeys + 1
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
end function countKeys
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets float value of for a given key from a linked list
|
|
||||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
|
||||||
!! error unless default is given
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
real(pReal) function getFloat(this,key,defaultVal)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
real(pReal), intent(in), optional :: defaultVal
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
logical :: found
|
|
||||||
|
|
||||||
getFloat = huge(1.0) ! suppress warning about unitialized value
|
|
||||||
found = present(defaultVal)
|
|
||||||
if (found) getFloat = defaultVal
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
getFloat = IO_FloatValue(item%string%val,item%string%pos,2)
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) call IO_error(140,ext_msg=key)
|
|
||||||
|
|
||||||
end function getFloat
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets integer value of for a given key from a linked list
|
|
||||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
|
||||||
!! error unless default is given
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
integer function getInt(this,key,defaultVal)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
integer, intent(in), optional :: defaultVal
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
logical :: found
|
|
||||||
|
|
||||||
getInt = huge(1) ! suppress warning about unitialized value
|
|
||||||
found = present(defaultVal)
|
|
||||||
if (found) getInt = defaultVal
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
getInt = IO_IntValue(item%string%val,item%string%pos,2)
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) call IO_error(140,ext_msg=key)
|
|
||||||
|
|
||||||
end function getInt
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets string value of for a given key from a linked list
|
|
||||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
|
||||||
!! error unless default is given. If raw is true, the the complete string is returned, otherwise
|
|
||||||
!! the individual chunks are returned
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
character(len=pStringLen) function getString(this,key,defaultVal,raw)
|
|
||||||
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
character(len=*), intent(in), optional :: defaultVal
|
|
||||||
logical, intent(in), optional :: raw
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
logical :: found, &
|
|
||||||
whole
|
|
||||||
if (present(raw)) then
|
|
||||||
whole = raw
|
|
||||||
else
|
|
||||||
whole = .false.
|
|
||||||
endif
|
|
||||||
|
|
||||||
found = present(defaultVal)
|
|
||||||
if (found) then
|
|
||||||
if (len_trim(defaultVal) > len(getString)) call IO_error(0,ext_msg='getString')
|
|
||||||
getString = trim(defaultVal)
|
|
||||||
endif
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
|
|
||||||
if (whole) then
|
|
||||||
getString = trim(item%string%val(item%string%pos(4):)) ! raw string starting a second chunk
|
|
||||||
else
|
|
||||||
getString = IO_StringValue(item%string%val,item%string%pos,2)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) call IO_error(140,ext_msg=key)
|
|
||||||
|
|
||||||
end function getString
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets array of float values of for a given key from a linked list
|
|
||||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
|
||||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
function getFloats(this,key,defaultVal,requiredSize)
|
|
||||||
|
|
||||||
real(pReal), dimension(:), allocatable :: getFloats
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
real(pReal), dimension(:), intent(in), optional :: defaultVal
|
|
||||||
integer, intent(in), optional :: requiredSize
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
integer :: i
|
|
||||||
logical :: found, &
|
|
||||||
cumulative
|
|
||||||
|
|
||||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
|
||||||
found = .false.
|
|
||||||
|
|
||||||
allocate(getFloats(0))
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (.not. cumulative) getFloats = [real(pReal)::]
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
do i = 2, item%string%pos(1)
|
|
||||||
getFloats = [getFloats,IO_FloatValue(item%string%val,item%string%pos,i)]
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) then
|
|
||||||
if (present(defaultVal)) then; getFloats = defaultVal; else; call IO_error(140,ext_msg=key); endif
|
|
||||||
endif
|
|
||||||
if (present(requiredSize)) then
|
|
||||||
if(requiredSize /= size(getFloats)) call IO_error(146,ext_msg=key)
|
|
||||||
endif
|
|
||||||
|
|
||||||
end function getFloats
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets array of integer values of for a given key from a linked list
|
|
||||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
|
||||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
function getInts(this,key,defaultVal,requiredSize)
|
|
||||||
|
|
||||||
integer, dimension(:), allocatable :: getInts
|
|
||||||
class(tPartitionedStringList), target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
integer, dimension(:), intent(in), optional :: defaultVal
|
|
||||||
integer, intent(in), optional :: requiredSize
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
integer :: i
|
|
||||||
logical :: found, &
|
|
||||||
cumulative
|
|
||||||
|
|
||||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
|
||||||
found = .false.
|
|
||||||
|
|
||||||
allocate(getInts(0))
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (.not. cumulative) getInts = [integer::]
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
do i = 2, item%string%pos(1)
|
|
||||||
getInts = [getInts,IO_IntValue(item%string%val,item%string%pos,i)]
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) then
|
|
||||||
if (present(defaultVal)) then; getInts = defaultVal; else; call IO_error(140,ext_msg=key); endif
|
|
||||||
endif
|
|
||||||
if (present(requiredSize)) then
|
|
||||||
if(requiredSize /= size(getInts)) call IO_error(146,ext_msg=key)
|
|
||||||
endif
|
|
||||||
|
|
||||||
end function getInts
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief gets array of string values of for a given key from a linked list
|
|
||||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
|
||||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
|
||||||
!! If raw is true, the the complete string is returned, otherwise the individual chunks are returned
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
function getStrings(this,key,defaultVal,raw)
|
|
||||||
|
|
||||||
character(len=pStringLen),dimension(:), allocatable :: getStrings
|
|
||||||
class(tPartitionedStringList),target, intent(in) :: this
|
|
||||||
character(len=*), intent(in) :: key
|
|
||||||
character(len=*), dimension(:), intent(in), optional :: defaultVal
|
|
||||||
logical, intent(in), optional :: raw
|
|
||||||
type(tPartitionedStringList), pointer :: item
|
|
||||||
character(len=pStringLen) :: str
|
|
||||||
integer :: i
|
|
||||||
logical :: found, &
|
|
||||||
whole, &
|
|
||||||
cumulative
|
|
||||||
|
|
||||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
|
||||||
if (present(raw)) then
|
|
||||||
whole = raw
|
|
||||||
else
|
|
||||||
whole = .false.
|
|
||||||
endif
|
|
||||||
found = .false.
|
|
||||||
|
|
||||||
item => this
|
|
||||||
do while (associated(item%next))
|
|
||||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
|
||||||
found = .true.
|
|
||||||
if (allocated(getStrings) .and. .not. cumulative) deallocate(getStrings)
|
|
||||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
|
||||||
|
|
||||||
notAllocated: if (.not. allocated(getStrings)) then
|
|
||||||
if (whole) then
|
|
||||||
str = item%string%val(item%string%pos(4):)
|
|
||||||
getStrings = [str]
|
|
||||||
else
|
|
||||||
str = IO_StringValue(item%string%val,item%string%pos,2)
|
|
||||||
allocate(getStrings(1),source=str)
|
|
||||||
do i=3,item%string%pos(1)
|
|
||||||
str = IO_StringValue(item%string%val,item%string%pos,i)
|
|
||||||
getStrings = [getStrings,str]
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
else notAllocated
|
|
||||||
if (whole) then
|
|
||||||
str = item%string%val(item%string%pos(4):)
|
|
||||||
getStrings = [getStrings,str]
|
|
||||||
else
|
|
||||||
do i=2,item%string%pos(1)
|
|
||||||
str = IO_StringValue(item%string%val,item%string%pos,i)
|
|
||||||
getStrings = [getStrings,str]
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
endif notAllocated
|
|
||||||
endif
|
|
||||||
item => item%next
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (.not. found) then
|
|
||||||
if (present(defaultVal)) then
|
|
||||||
if (len(defaultVal) > len(getStrings)) call IO_error(0,ext_msg='getStrings')
|
|
||||||
getStrings = defaultVal
|
|
||||||
else
|
|
||||||
call IO_error(140,ext_msg=key)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
|
|
||||||
end function getStrings
|
|
||||||
|
|
||||||
|
|
||||||
end module list
|
|
|
@ -74,12 +74,12 @@ subroutine discretization_marc_init
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------
|
||||||
! read debug parameters
|
! read debug parameters
|
||||||
debug_e = debug_root%get_asInt('element',defaultVal=1)
|
debug_e = config_debug%get_asInt('element',defaultVal=1)
|
||||||
debug_i = debug_root%get_asInt('integrationpoint',defaultVal=1)
|
debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------
|
||||||
! read numerics parameter and do sanity check
|
! read numerics parameter and do sanity check
|
||||||
num_commercialFEM => numerics_root%get('commercialFEM',defaultVal = emptyDict)
|
num_commercialFEM => config_numerics%get('commercialFEM',defaultVal = emptyDict)
|
||||||
mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
|
mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
|
||||||
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
|
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
|
||||||
|
|
||||||
|
@ -197,7 +197,7 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
|
||||||
integer, dimension(:,:), allocatable :: &
|
integer, dimension(:,:), allocatable :: &
|
||||||
mapElemSet !< list of elements in elementSet
|
mapElemSet !< list of elements in elementSet
|
||||||
|
|
||||||
inputFile = IO_read_ASCII(trim(getSolverJobName())//trim(InputFileExtension))
|
inputFile = IO_readlines(trim(getSolverJobName())//trim(InputFileExtension))
|
||||||
call inputRead_fileFormat(fileFormatVersion, &
|
call inputRead_fileFormat(fileFormatVersion, &
|
||||||
inputFile)
|
inputFile)
|
||||||
call inputRead_tableStyles(initialcondTableStyle,hypoelasticTableStyle, &
|
call inputRead_tableStyles(initialcondTableStyle,hypoelasticTableStyle, &
|
||||||
|
|
|
@ -55,7 +55,7 @@ module material
|
||||||
character(len=pStringLen), public, protected, allocatable, dimension(:) :: &
|
character(len=pStringLen), public, protected, allocatable, dimension(:) :: &
|
||||||
material_name_phase, & !< name of each phase
|
material_name_phase, & !< name of each phase
|
||||||
material_name_homogenization !< name of each homogenization
|
material_name_homogenization !< name of each homogenization
|
||||||
|
|
||||||
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
|
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
|
||||||
thermal_type !< thermal transport model
|
thermal_type !< thermal transport model
|
||||||
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
|
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
|
||||||
|
@ -164,24 +164,24 @@ subroutine material_init(restart)
|
||||||
phases, &
|
phases, &
|
||||||
material_homogenization
|
material_homogenization
|
||||||
character(len=pStringLen) :: sectionName
|
character(len=pStringLen) :: sectionName
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- material init -+>>>'; flush(6)
|
write(6,'(/,a)') ' <<<+- material init -+>>>'; flush(6)
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(material_name_phase(phases%length))
|
allocate(material_name_phase(phases%length))
|
||||||
do ph = 1, phases%length
|
do ph = 1, phases%length
|
||||||
write(sectionName,'(i0,a)') ph,'_'
|
write(sectionName,'(i0,a)') ph,'_'
|
||||||
material_name_phase(ph) = trim(adjustl(sectionName))//phases%getKey(ph) !ToDO: No reason to do. Update damage tests
|
material_name_phase(ph) = trim(adjustl(sectionName))//phases%getKey(ph) !ToDO: No reason to do. Update damage tests
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
allocate(material_name_homogenization(material_homogenization%length))
|
allocate(material_name_homogenization(material_homogenization%length))
|
||||||
do myHomog = 1, material_homogenization%length
|
do myHomog = 1, material_homogenization%length
|
||||||
write(sectionName,'(i0,a)') myHomog,'_'
|
write(sectionName,'(i0,a)') myHomog,'_'
|
||||||
material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog)
|
material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
debug_material => debug_root%get('material',defaultVal=emptyList)
|
debug_material => config_debug%get('material',defaultVal=emptyList)
|
||||||
|
|
||||||
call material_parseMicrostructure()
|
call material_parseMicrostructure()
|
||||||
if (debug_material%contains('basic')) write(6,'(a)') ' Microstructure parsed'; flush(6)
|
if (debug_material%contains('basic')) write(6,'(a)') ' Microstructure parsed'; flush(6)
|
||||||
|
@ -242,7 +242,7 @@ subroutine material_parseHomogenization
|
||||||
|
|
||||||
integer :: h
|
integer :: h
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
material_Nhomogenization = material_homogenization%length
|
material_Nhomogenization = material_homogenization%length
|
||||||
|
|
||||||
allocate(homogenization_type(material_Nhomogenization), source=HOMOGENIZATION_undefined_ID)
|
allocate(homogenization_type(material_Nhomogenization), source=HOMOGENIZATION_undefined_ID)
|
||||||
|
@ -325,18 +325,18 @@ subroutine material_parseMicrostructure
|
||||||
|
|
||||||
class(tNode), pointer :: microstructure, & !> pointer to microstructure list
|
class(tNode), pointer :: microstructure, & !> pointer to microstructure list
|
||||||
constituentsInMicrostructure, & !> pointer to a microstructure list item
|
constituentsInMicrostructure, & !> pointer to a microstructure list item
|
||||||
constituents, & !> pointer to constituents list
|
constituents, & !> pointer to constituents list
|
||||||
constituent, & !> pointer to each constituent
|
constituent, & !> pointer to each constituent
|
||||||
phases, &
|
phases, &
|
||||||
homogenization
|
homogenization
|
||||||
|
|
||||||
integer, dimension(:), allocatable :: &
|
integer, dimension(:), allocatable :: &
|
||||||
CounterPhase, &
|
CounterPhase, &
|
||||||
CounterHomogenization
|
CounterHomogenization
|
||||||
|
|
||||||
|
|
||||||
real(pReal), dimension(:,:), allocatable :: &
|
real(pReal), dimension(:,:), allocatable :: &
|
||||||
microstructure_fraction !< vol fraction of each constituent in microstrcuture
|
microstructure_fraction !< vol fraction of each constituent in microstrcuture
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
e, &
|
e, &
|
||||||
|
@ -347,11 +347,11 @@ subroutine material_parseMicrostructure
|
||||||
|
|
||||||
real(pReal), dimension(4) :: phase_orientation
|
real(pReal), dimension(4) :: phase_orientation
|
||||||
|
|
||||||
homogenization => material_root%get('homogenization')
|
homogenization => config_material%get('homogenization')
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
microstructure => material_root%get('microstructure')
|
microstructure => config_material%get('microstructure')
|
||||||
allocate(microstructure_Nconstituents(microstructure%length), source = 0)
|
allocate(microstructure_Nconstituents(microstructure%length), source = 0)
|
||||||
|
|
||||||
if(any(discretization_microstructureAt > microstructure%length)) &
|
if(any(discretization_microstructureAt > microstructure%length)) &
|
||||||
call IO_error(155,ext_msg='More microstructures in geometry than sections in material.yaml')
|
call IO_error(155,ext_msg='More microstructures in geometry than sections in material.yaml')
|
||||||
|
|
||||||
|
@ -360,7 +360,7 @@ subroutine material_parseMicrostructure
|
||||||
constituents => constituentsInMicrostructure%get('constituents')
|
constituents => constituentsInMicrostructure%get('constituents')
|
||||||
microstructure_Nconstituents(m) = constituents%length
|
microstructure_Nconstituents(m) = constituents%length
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
|
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
|
||||||
allocate(microstructure_fraction(microstructure_maxNconstituents,microstructure%length), source =0.0_pReal)
|
allocate(microstructure_fraction(microstructure_maxNconstituents,microstructure%length), source =0.0_pReal)
|
||||||
allocate(material_phaseAt(microstructure_maxNconstituents,discretization_nElem), source =0)
|
allocate(material_phaseAt(microstructure_maxNconstituents,discretization_nElem), source =0)
|
||||||
|
@ -379,7 +379,7 @@ subroutine material_parseMicrostructure
|
||||||
constituent => constituents%get(c)
|
constituent => constituents%get(c)
|
||||||
microstructure_fraction(c,m) = constituent%get_asFloat('fraction')
|
microstructure_fraction(c,m) = constituent%get_asFloat('fraction')
|
||||||
enddo
|
enddo
|
||||||
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg='constituent')
|
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg='constituent')
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
do e = 1, discretization_nElem
|
do e = 1, discretization_nElem
|
||||||
|
@ -394,11 +394,11 @@ subroutine material_parseMicrostructure
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
do e = 1, discretization_nElem
|
do e = 1, discretization_nElem
|
||||||
do i = 1, discretization_nIP
|
do i = 1, discretization_nIP
|
||||||
constituentsInMicrostructure => microstructure%get(discretization_microstructureAt(e))
|
constituentsInMicrostructure => microstructure%get(discretization_microstructureAt(e))
|
||||||
material_homogenizationAt(e) = homogenization%getIndex(constituentsInMicrostructure%get_asString('homogenization'))
|
material_homogenizationAt(e) = homogenization%getIndex(constituentsInMicrostructure%get_asString('homogenization'))
|
||||||
CounterHomogenization(material_homogenizationAt(e)) = CounterHomogenization(material_homogenizationAt(e)) + 1
|
CounterHomogenization(material_homogenizationAt(e)) = CounterHomogenization(material_homogenizationAt(e)) + 1
|
||||||
material_homogenizationMemberAt(i,e) = CounterHomogenization(material_homogenizationAt(e))
|
material_homogenizationMemberAt(i,e) = CounterHomogenization(material_homogenizationAt(e))
|
||||||
enddo
|
enddo
|
||||||
|
@ -419,5 +419,5 @@ subroutine material_parseMicrostructure
|
||||||
|
|
||||||
end subroutine material_parseMicrostructure
|
end subroutine material_parseMicrostructure
|
||||||
|
|
||||||
|
|
||||||
end module material
|
end module material
|
||||||
|
|
92
src/math.f90
92
src/math.f90
|
@ -72,10 +72,6 @@ module math
|
||||||
3,3 &
|
3,3 &
|
||||||
],shape(MAPPLAIN)) !< arrangement in Plain notation
|
],shape(MAPPLAIN)) !< arrangement in Plain notation
|
||||||
|
|
||||||
interface math_eye
|
|
||||||
module procedure math_identity2nd
|
|
||||||
end interface math_eye
|
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
private :: &
|
private :: &
|
||||||
selfTest
|
selfTest
|
||||||
|
@ -97,7 +93,7 @@ subroutine math_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- math init -+>>>'; flush(6)
|
write(6,'(/,a)') ' <<<+- math init -+>>>'; flush(6)
|
||||||
|
|
||||||
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
|
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
|
||||||
randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
|
randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
|
||||||
|
|
||||||
call random_seed(size=randSize)
|
call random_seed(size=randSize)
|
||||||
|
@ -239,18 +235,18 @@ end function math_range
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief second rank identity tensor of specified dimension
|
!> @brief second rank identity tensor of specified dimension
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function math_identity2nd(d)
|
pure function math_eye(d)
|
||||||
|
|
||||||
integer, intent(in) :: d !< tensor dimension
|
integer, intent(in) :: d !< tensor dimension
|
||||||
integer :: i
|
integer :: i
|
||||||
real(pReal), dimension(d,d) :: math_identity2nd
|
real(pReal), dimension(d,d) :: math_eye
|
||||||
|
|
||||||
math_identity2nd = 0.0_pReal
|
math_eye = 0.0_pReal
|
||||||
do i=1,d
|
do i=1,d
|
||||||
math_identity2nd(i,i) = 1.0_pReal
|
math_eye(i,i) = 1.0_pReal
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end function math_identity2nd
|
end function math_eye
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -264,7 +260,7 @@ pure function math_identity4th(d)
|
||||||
real(pReal), dimension(d,d,d,d) :: math_identity4th
|
real(pReal), dimension(d,d,d,d) :: math_identity4th
|
||||||
real(pReal), dimension(d,d) :: identity2nd
|
real(pReal), dimension(d,d) :: identity2nd
|
||||||
|
|
||||||
identity2nd = math_identity2nd(d)
|
identity2nd = math_eye(d)
|
||||||
do i=1,d; do j=1,d; do k=1,d; do l=1,d
|
do i=1,d; do j=1,d; do k=1,d; do l=1,d
|
||||||
math_identity4th(i,j,k,l) = 0.5_pReal &
|
math_identity4th(i,j,k,l) = 0.5_pReal &
|
||||||
*(identity2nd(i,k)*identity2nd(j,l)+identity2nd(i,l)*identity2nd(j,k))
|
*(identity2nd(i,k)*identity2nd(j,l)+identity2nd(i,l)*identity2nd(j,k))
|
||||||
|
@ -1158,7 +1154,7 @@ end function math_clip
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief check correctness of some math functions
|
!> @brief Check correctness of some math functions.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine selfTest
|
subroutine selfTest
|
||||||
|
|
||||||
|
@ -1185,47 +1181,47 @@ subroutine selfTest
|
||||||
|
|
||||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
|
||||||
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2,3,0])) > tol_math_check)) &
|
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2,3,0])) > tol_math_check)) &
|
||||||
call IO_error(0,ext_msg='math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]')
|
error stop 'math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]'
|
||||||
|
|
||||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal] - &
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal] - &
|
||||||
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2])) > tol_math_check)) &
|
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2])) > tol_math_check)) &
|
||||||
call IO_error(0,ext_msg='math_expand [1,2,3] by [1,2] => [1,2,2]')
|
error stop 'math_expand [1,2,3] by [1,2] => [1,2,2]'
|
||||||
|
|
||||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal] - &
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal] - &
|
||||||
math_expand([1.0_pReal,2.0_pReal],[1,2,3])) > tol_math_check)) &
|
math_expand([1.0_pReal,2.0_pReal],[1,2,3])) > tol_math_check)) &
|
||||||
call IO_error(0,ext_msg='math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]')
|
error stop 'math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]'
|
||||||
|
|
||||||
call math_sort(sort_in_,1,3,2)
|
call math_sort(sort_in_,1,3,2)
|
||||||
if(any(sort_in_ /= sort_out_)) &
|
if(any(sort_in_ /= sort_out_)) &
|
||||||
call IO_error(0,ext_msg='math_sort')
|
error stop 'math_sort'
|
||||||
|
|
||||||
if(any(math_range(5) /= range_out_)) &
|
if(any(math_range(5) /= range_out_)) &
|
||||||
call IO_error(0,ext_msg='math_range')
|
error stop 'math_range'
|
||||||
|
|
||||||
if(any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
if(any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
||||||
call IO_error(0,ext_msg='math_exp33(math_I3,1)')
|
error stop 'math_exp33(math_I3,1)'
|
||||||
if(any(dNeq(math_exp33(math_I3,256),exp(1.0_pReal)*math_I3))) &
|
if(any(dNeq(math_exp33(math_I3,256),exp(1.0_pReal)*math_I3))) &
|
||||||
call IO_error(0,ext_msg='math_exp33(math_I3,256)')
|
error stop 'math_exp33(math_I3,256)'
|
||||||
|
|
||||||
call random_number(v9)
|
call random_number(v9)
|
||||||
if(any(dNeq(math_33to9(math_9to33(v9)),v9))) &
|
if(any(dNeq(math_33to9(math_9to33(v9)),v9))) &
|
||||||
call IO_error(0,ext_msg='math_33to9/math_9to33')
|
error stop 'math_33to9/math_9to33'
|
||||||
|
|
||||||
call random_number(t99)
|
call random_number(t99)
|
||||||
if(any(dNeq(math_3333to99(math_99to3333(t99)),t99))) &
|
if(any(dNeq(math_3333to99(math_99to3333(t99)),t99))) &
|
||||||
call IO_error(0,ext_msg='math_3333to99/math_99to3333')
|
error stop 'math_3333to99/math_99to3333'
|
||||||
|
|
||||||
call random_number(v6)
|
call random_number(v6)
|
||||||
if(any(dNeq(math_sym33to6(math_6toSym33(v6)),v6))) &
|
if(any(dNeq(math_sym33to6(math_6toSym33(v6)),v6))) &
|
||||||
call IO_error(0,ext_msg='math_sym33to6/math_6toSym33')
|
error stop 'math_sym33to6/math_6toSym33'
|
||||||
|
|
||||||
call random_number(t66)
|
call random_number(t66)
|
||||||
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66))) &
|
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66))) &
|
||||||
call IO_error(0,ext_msg='math_sym3333to66/math_66toSym3333')
|
error stop 'math_sym3333to66/math_66toSym3333'
|
||||||
|
|
||||||
call random_number(v6)
|
call random_number(v6)
|
||||||
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
||||||
call IO_error(0,ext_msg='math_symmetric33')
|
error stop 'math_symmetric33'
|
||||||
|
|
||||||
call random_number(v3_1)
|
call random_number(v3_1)
|
||||||
call random_number(v3_2)
|
call random_number(v3_2)
|
||||||
|
@ -1234,30 +1230,30 @@ subroutine selfTest
|
||||||
|
|
||||||
if(dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
if(dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
||||||
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
||||||
call IO_error(0,ext_msg='math_volTetrahedron')
|
error stop 'math_volTetrahedron'
|
||||||
|
|
||||||
call random_number(t33)
|
call random_number(t33)
|
||||||
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||||
call IO_error(0,ext_msg='math_det33/math_detSym33')
|
error stop 'math_det33/math_detSym33'
|
||||||
|
|
||||||
if(any(dNeq0(math_identity2nd(3),math_inv33(math_I3)))) &
|
if(any(dNeq0(math_eye(3),math_inv33(math_I3)))) &
|
||||||
call IO_error(0,ext_msg='math_inv33(math_I3)')
|
error stop 'math_inv33(math_I3)'
|
||||||
|
|
||||||
do while(abs(math_det33(t33))<1.0e-9_pReal)
|
do while(abs(math_det33(t33))<1.0e-9_pReal)
|
||||||
call random_number(t33)
|
call random_number(t33)
|
||||||
enddo
|
enddo
|
||||||
if(any(dNeq0(matmul(t33,math_inv33(t33)) - math_identity2nd(3),tol=1.0e-9_pReal))) &
|
if(any(dNeq0(matmul(t33,math_inv33(t33)) - math_eye(3),tol=1.0e-9_pReal))) &
|
||||||
call IO_error(0,ext_msg='math_inv33')
|
error stop 'math_inv33'
|
||||||
|
|
||||||
call math_invert33(t33_2,det,e,t33)
|
call math_invert33(t33_2,det,e,t33)
|
||||||
if(any(dNeq0(matmul(t33,t33_2) - math_identity2nd(3),tol=1.0e-9_pReal)) .or. e) &
|
if(any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||||
call IO_error(0,ext_msg='math_invert33: T:T^-1 != I')
|
error stop 'math_invert33: T:T^-1 != I'
|
||||||
if(dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
if(dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
||||||
call IO_error(0,ext_msg='math_invert33 (determinant)')
|
error stop 'math_invert33 (determinant)'
|
||||||
|
|
||||||
call math_invert(t33_2,e,t33)
|
call math_invert(t33_2,e,t33)
|
||||||
if(any(dNeq0(matmul(t33,t33_2) - math_identity2nd(3),tol=1.0e-9_pReal)) .or. e) &
|
if(any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||||
call IO_error(0,ext_msg='math_invert t33')
|
error stop 'math_invert t33'
|
||||||
|
|
||||||
do while(math_det33(t33)<1.0e-2_pReal) ! O(det(F)) = 1
|
do while(math_det33(t33)<1.0e-2_pReal) ! O(det(F)) = 1
|
||||||
call random_number(t33)
|
call random_number(t33)
|
||||||
|
@ -1265,38 +1261,38 @@ subroutine selfTest
|
||||||
t33_2 = math_rotationalPart(transpose(t33))
|
t33_2 = math_rotationalPart(transpose(t33))
|
||||||
t33 = math_rotationalPart(t33)
|
t33 = math_rotationalPart(t33)
|
||||||
if(any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pReal))) &
|
if(any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pReal))) &
|
||||||
call IO_error(0,ext_msg='math_rotationalPart')
|
error stop 'math_rotationalPart'
|
||||||
|
|
||||||
call random_number(r)
|
call random_number(r)
|
||||||
d = int(r*5.0_pReal) + 1
|
d = int(r*5.0_pReal) + 1
|
||||||
txx = math_identity2nd(d)
|
txx = math_eye(d)
|
||||||
allocate(txx_2(d,d))
|
allocate(txx_2(d,d))
|
||||||
call math_invert(txx_2,e,txx)
|
call math_invert(txx_2,e,txx)
|
||||||
if(any(dNeq0(txx_2,txx) .or. e)) &
|
if(any(dNeq0(txx_2,txx) .or. e)) &
|
||||||
call IO_error(0,ext_msg='math_invert(txx)/math_identity2nd')
|
error stop 'math_invert(txx)/math_eye'
|
||||||
|
|
||||||
call math_invert(t99_2,e,t99) ! not sure how likely it is that we get a singular matrix
|
call math_invert(t99_2,e,t99) ! not sure how likely it is that we get a singular matrix
|
||||||
if(any(dNeq0(matmul(t99_2,t99)-math_identity2nd(9),tol=1.0e-9_pReal)) .or. e) &
|
if(any(dNeq0(matmul(t99_2,t99)-math_eye(9),tol=1.0e-9_pReal)) .or. e) &
|
||||||
call IO_error(0,ext_msg='math_invert(t99)')
|
error stop 'math_invert(t99)'
|
||||||
|
|
||||||
if(any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
if(any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
||||||
call IO_error(0,ext_msg='math_clip')
|
error stop 'math_clip'
|
||||||
|
|
||||||
if(math_factorial(10) /= 3628800) &
|
if(math_factorial(10) /= 3628800) &
|
||||||
call IO_error(0,ext_msg='math_factorial')
|
error stop 'math_factorial'
|
||||||
|
|
||||||
if(math_binomial(49,6) /= 13983816) &
|
if(math_binomial(49,6) /= 13983816) &
|
||||||
call IO_error(0,ext_msg='math_binomial')
|
error stop 'math_binomial'
|
||||||
|
|
||||||
ijk = cshift([1,2,3],int(r*1.0e2_pReal))
|
ijk = cshift([1,2,3],int(r*1.0e2_pReal))
|
||||||
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pReal)) &
|
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pReal)) &
|
||||||
call IO_error(0,ext_msg='math_LeviCivita(even)')
|
error stop 'math_LeviCivita(even)'
|
||||||
ijk = cshift([3,2,1],int(r*2.0e2_pReal))
|
ijk = cshift([3,2,1],int(r*2.0e2_pReal))
|
||||||
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pReal)) &
|
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pReal)) &
|
||||||
call IO_error(0,ext_msg='math_LeviCivita(odd)')
|
error stop 'math_LeviCivita(odd)'
|
||||||
ijk = cshift([2,2,1],int(r*2.0e2_pReal))
|
ijk = cshift([2,2,1],int(r*2.0e2_pReal))
|
||||||
if(dNeq0(math_LeviCivita(ijk(1),ijk(2),ijk(3))))&
|
if(dNeq0(math_LeviCivita(ijk(1),ijk(2),ijk(3)))) &
|
||||||
call IO_error(0,ext_msg='math_LeviCivita')
|
error stop 'math_LeviCivita'
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
||||||
|
|
|
@ -11,6 +11,7 @@ program DAMASK_mesh
|
||||||
use PetscDM
|
use PetscDM
|
||||||
use prec
|
use prec
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use math
|
use math
|
||||||
use CPFEM2
|
use CPFEM2
|
||||||
|
@ -81,7 +82,7 @@ program DAMASK_mesh
|
||||||
|
|
||||||
!---------------------------------------------------------------------
|
!---------------------------------------------------------------------
|
||||||
! reading field information from numerics file and do sanity checks
|
! reading field information from numerics file and do sanity checks
|
||||||
num_mesh => numerics_root%get('mesh', defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh', defaultVal=emptyDict)
|
||||||
stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
|
stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
|
||||||
maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
|
maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)
|
||||||
|
|
||||||
|
@ -95,7 +96,7 @@ program DAMASK_mesh
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! reading basic information from load case file and allocate data structure containing load cases
|
! reading basic information from load case file and allocate data structure containing load cases
|
||||||
fileContent = IO_read_ASCII(trim(loadCaseFile))
|
fileContent = IO_readlines(trim(interface_loadFile))
|
||||||
do l = 1, size(fileContent)
|
do l = 1, size(fileContent)
|
||||||
line = fileContent(l)
|
line = fileContent(l)
|
||||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||||
|
|
|
@ -110,15 +110,13 @@ subroutine FEM_utilities_init
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
|
write(6,'(/,a)') ' <<<+- FEM_utilities init -+>>>'
|
||||||
|
|
||||||
num_mesh => numerics_root%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
|
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
|
||||||
! set debugging parameters
|
debugPETSc = debug_mesh%contains('petsc')
|
||||||
debug_mesh => debug_root%get('mesh',defaultVal=emptyList)
|
|
||||||
debugPETSc = debug_mesh%contains('petsc')
|
|
||||||
|
|
||||||
if(debugPETSc) write(6,'(3(/,a),/)') &
|
if(debugPETSc) write(6,'(3(/,a),/)') &
|
||||||
' Initializing PETSc with debug options: ', &
|
' Initializing PETSc with debug options: ', &
|
||||||
|
|
|
@ -13,6 +13,7 @@ module discretization_mesh
|
||||||
use PETScis
|
use PETScis
|
||||||
|
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
use parallelization
|
||||||
use IO
|
use IO
|
||||||
use config
|
use config
|
||||||
use discretization
|
use discretization
|
||||||
|
@ -82,20 +83,20 @@ subroutine discretization_mesh_init(restart)
|
||||||
num_mesh
|
num_mesh
|
||||||
integer :: integrationOrder !< order of quadrature rule required
|
integer :: integrationOrder !< order of quadrature rule required
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
|
write(6,'(/,a)') ' <<<+- discretization_mesh init -+>>>'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------
|
||||||
! read numerics parameter
|
! read numerics parameter
|
||||||
num_mesh => numerics_root%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------
|
||||||
! read debug parameters
|
! read debug parameters
|
||||||
debug_element = debug_root%get_asInt('element',defaultVal=1)
|
debug_element = config_debug%get_asInt('element',defaultVal=1)
|
||||||
debug_ip = debug_root%get_asInt('integrationpoint',defaultVal=1)
|
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||||
|
|
||||||
|
|
||||||
call DMPlexCreateFromFile(PETSC_COMM_WORLD,geometryFile,PETSC_TRUE,globalMesh,ierr)
|
call DMPlexCreateFromFile(PETSC_COMM_WORLD,interface_geomFile,PETSC_TRUE,globalMesh,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call DMGetDimension(globalMesh,dimPlex,ierr)
|
call DMGetDimension(globalMesh,dimPlex,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
|
@ -123,7 +124,7 @@ subroutine discretization_mesh_init(restart)
|
||||||
call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
call MPI_Bcast(mesh_boundaries,mesh_Nboundaries,MPI_INTEGER,0,PETSC_COMM_WORLD,ierr)
|
||||||
|
|
||||||
if (worldrank == 0) then
|
if (worldrank == 0) then
|
||||||
fileContent = IO_readlines(geometryFile)
|
fileContent = IO_readlines(interface_geomFile)
|
||||||
l = 0
|
l = 0
|
||||||
do
|
do
|
||||||
l = l + 1
|
l = l + 1
|
||||||
|
|
|
@ -114,7 +114,7 @@ subroutine FEM_mech_init(fieldBC)
|
||||||
|
|
||||||
!-----------------------------------------------------------------------------
|
!-----------------------------------------------------------------------------
|
||||||
! read numerical parametes and do sanity checks
|
! read numerical parametes and do sanity checks
|
||||||
num_mesh => numerics_root%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
num%integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
num%integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
||||||
num%itmax = num_mesh%get_asInt('itmax',defaultVal=250)
|
num%itmax = num_mesh%get_asInt('itmax',defaultVal=250)
|
||||||
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
|
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
|
||||||
|
@ -574,7 +574,7 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
|
||||||
else
|
else
|
||||||
K_e = K_eA
|
K_e = K_eA
|
||||||
endif
|
endif
|
||||||
K_e = (K_e + eps*math_identity2nd(cellDof)) * abs(detJ)
|
K_e = (K_e + eps*math_eye(cellDof)) * abs(detJ)
|
||||||
#ifndef __INTEL_COMPILER
|
#ifndef __INTEL_COMPILER
|
||||||
pK_e(1:cellDOF**2) => K_e
|
pK_e(1:cellDOF**2) => K_e
|
||||||
#else
|
#else
|
||||||
|
|
|
@ -0,0 +1,97 @@
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
!> @brief Inquires variables related to parallelization (openMP, MPI)
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
module parallelization
|
||||||
|
use prec
|
||||||
|
use, intrinsic :: iso_fortran_env
|
||||||
|
|
||||||
|
#ifdef PETSc
|
||||||
|
#include <petsc/finclude/petscsys.h>
|
||||||
|
use petscsys
|
||||||
|
#endif
|
||||||
|
!$ use OMP_LIB
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
private
|
||||||
|
|
||||||
|
integer, protected, public :: &
|
||||||
|
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
|
||||||
|
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
|
||||||
|
|
||||||
|
public :: &
|
||||||
|
parallelization_init
|
||||||
|
|
||||||
|
contains
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief calls subroutines that reads material, numerics and debug configuration files
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine parallelization_init
|
||||||
|
|
||||||
|
integer :: err, typeSize
|
||||||
|
!$ integer :: got_env, DAMASK_NUM_THREADS, threadLevel
|
||||||
|
!$ character(len=6) NumThreadsString
|
||||||
|
#ifdef PETSc
|
||||||
|
PetscErrorCode :: petsc_err
|
||||||
|
|
||||||
|
#else
|
||||||
|
print'(/,a)', ' <<<+- parallelization init -+>>>'; flush(6)
|
||||||
|
#endif
|
||||||
|
|
||||||
|
#ifdef PETSc
|
||||||
|
#ifdef _OPENMP
|
||||||
|
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
|
||||||
|
! Otherwise, the first call to PETSc will do the initialization.
|
||||||
|
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err)
|
||||||
|
if (err /= 0) error stop 'MPI init failed'
|
||||||
|
if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP'
|
||||||
|
#endif
|
||||||
|
|
||||||
|
call PETScInitializeNoArguments(petsc_err) ! first line in the code according to PETSc manual
|
||||||
|
CHKERRQ(petsc_err)
|
||||||
|
|
||||||
|
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,err)
|
||||||
|
if (err /= 0) error stop 'Could not determine worldrank'
|
||||||
|
|
||||||
|
if (worldrank == 0) print'(/,a)', ' <<<+- parallelization init -+>>>'
|
||||||
|
if (worldrank == 0) print'(a,i3)', ' MPI processes: ',worldsize
|
||||||
|
|
||||||
|
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,err)
|
||||||
|
if (err /= 0) error stop 'Could not determine worldsize'
|
||||||
|
|
||||||
|
call MPI_Type_size(MPI_INTEGER,typeSize,err)
|
||||||
|
if (err /= 0) error stop 'Could not determine MPI integer size'
|
||||||
|
if (typeSize*8 /= bit_size(0)) error stop 'Mismatch between MPI and DAMASK integer'
|
||||||
|
|
||||||
|
call MPI_Type_size(MPI_DOUBLE,typeSize,err)
|
||||||
|
if (err /= 0) error stop 'Could not determine MPI real size'
|
||||||
|
if (typeSize*8 /= storage_size(0.0_pReal)) error stop 'Mismatch between MPI and DAMASK real'
|
||||||
|
#endif
|
||||||
|
|
||||||
|
mainProcess: if (worldrank == 0) then
|
||||||
|
if (output_unit /= 6) error stop 'STDOUT != 6'
|
||||||
|
if (error_unit /= 0) error stop 'STDERR != 0'
|
||||||
|
else mainProcess
|
||||||
|
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
|
||||||
|
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
|
||||||
|
endif mainProcess
|
||||||
|
|
||||||
|
|
||||||
|
!$ call get_environment_variable(name='DAMASK_NUM_THREADS',value=NumThreadsString,STATUS=got_env)
|
||||||
|
!$ if(got_env /= 0) then
|
||||||
|
!$ print*, 'Could not determine value of $DAMASK_NUM_THREADS'
|
||||||
|
!$ DAMASK_NUM_THREADS = 1_pI32
|
||||||
|
!$ else
|
||||||
|
!$ read(NumThreadsString,'(i6)') DAMASK_NUM_THREADS
|
||||||
|
!$ if (DAMASK_NUM_THREADS < 1_pI32) then
|
||||||
|
!$ print*, 'Invalid DAMASK_NUM_THREADS: '//trim(NumThreadsString)
|
||||||
|
!$ DAMASK_NUM_THREADS = 1_pI32
|
||||||
|
!$ endif
|
||||||
|
!$ endif
|
||||||
|
!$ print'(a,i2)', ' DAMASK_NUM_THREADS: ',DAMASK_NUM_THREADS
|
||||||
|
!$ call omp_set_num_threads(DAMASK_NUM_THREADS)
|
||||||
|
|
||||||
|
end subroutine parallelization_init
|
||||||
|
|
||||||
|
end module parallelization
|
58
src/prec.f90
58
src/prec.f90
|
@ -235,57 +235,57 @@ end function cNeq
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Decode byte array (C_SIGNED_CHAR) as C_FLOAT array (4 byte float).
|
!> @brief Decode byte array (C_SIGNED_CHAR) as C_FLOAT array (4 byte float).
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function bytes_to_C_FLOAT(bytes)
|
pure function prec_bytesToC_FLOAT(bytes)
|
||||||
|
|
||||||
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_FLOAT array
|
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_FLOAT array
|
||||||
real(C_FLOAT), dimension(size(bytes,kind=pI64)/(storage_size(0._C_FLOAT,pI64)/8_pI64)) :: &
|
real(C_FLOAT), dimension(size(bytes,kind=pI64)/(storage_size(0._C_FLOAT,pI64)/8_pI64)) :: &
|
||||||
bytes_to_C_FLOAT
|
prec_bytesToC_FLOAT
|
||||||
|
|
||||||
bytes_to_C_FLOAT = transfer(bytes,bytes_to_C_FLOAT,size(bytes_to_C_FLOAT))
|
prec_bytesToC_FLOAT = transfer(bytes,prec_bytesToC_FLOAT,size(prec_bytesToC_FLOAT))
|
||||||
|
|
||||||
end function bytes_to_C_FLOAT
|
end function prec_bytesToC_FLOAT
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Decode byte array (C_SIGNED_CHAR) as C_DOUBLE array (8 byte float).
|
!> @brief Decode byte array (C_SIGNED_CHAR) as C_DOUBLE array (8 byte float).
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function bytes_to_C_DOUBLE(bytes)
|
pure function prec_bytesToC_DOUBLE(bytes)
|
||||||
|
|
||||||
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_DOUBLE array
|
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_DOUBLE array
|
||||||
real(C_DOUBLE), dimension(size(bytes,kind=pI64)/(storage_size(0._C_DOUBLE,pI64)/8_pI64)) :: &
|
real(C_DOUBLE), dimension(size(bytes,kind=pI64)/(storage_size(0._C_DOUBLE,pI64)/8_pI64)) :: &
|
||||||
bytes_to_C_DOUBLE
|
prec_bytesToC_DOUBLE
|
||||||
|
|
||||||
bytes_to_C_DOUBLE = transfer(bytes,bytes_to_C_DOUBLE,size(bytes_to_C_DOUBLE))
|
prec_bytesToC_DOUBLE = transfer(bytes,prec_bytesToC_DOUBLE,size(prec_bytesToC_DOUBLE))
|
||||||
|
|
||||||
end function bytes_to_C_DOUBLE
|
end function prec_bytesToC_DOUBLE
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Decode byte array (C_SIGNED_CHAR) as C_INT32_T array (4 byte signed integer).
|
!> @brief Decode byte array (C_SIGNED_CHAR) as C_INT32_T array (4 byte signed integer).
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function bytes_to_C_INT32_T(bytes)
|
pure function prec_bytesToC_INT32_T(bytes)
|
||||||
|
|
||||||
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_INT32_T array
|
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_INT32_T array
|
||||||
integer(C_INT32_T), dimension(size(bytes,kind=pI64)/(storage_size(0_C_INT32_T,pI64)/8_pI64)) :: &
|
integer(C_INT32_T), dimension(size(bytes,kind=pI64)/(storage_size(0_C_INT32_T,pI64)/8_pI64)) :: &
|
||||||
bytes_to_C_INT32_T
|
prec_bytesToC_INT32_T
|
||||||
|
|
||||||
bytes_to_C_INT32_T = transfer(bytes,bytes_to_C_INT32_T,size(bytes_to_C_INT32_T))
|
prec_bytesToC_INT32_T = transfer(bytes,prec_bytesToC_INT32_T,size(prec_bytesToC_INT32_T))
|
||||||
|
|
||||||
end function bytes_to_C_INT32_T
|
end function prec_bytesToC_INT32_T
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Decode byte array (C_SIGNED_CHAR) as C_INT64_T array (8 byte signed integer).
|
!> @brief Decode byte array (C_SIGNED_CHAR) as C_INT64_T array (8 byte signed integer).
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function bytes_to_C_INT64_T(bytes)
|
pure function prec_bytesToC_INT64_T(bytes)
|
||||||
|
|
||||||
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_INT64_T array
|
integer(C_SIGNED_CHAR), dimension(:), intent(in) :: bytes !< byte-wise representation of a C_INT64_T array
|
||||||
integer(C_INT64_T), dimension(size(bytes,kind=pI64)/(storage_size(0_C_INT64_T,pI64)/8_pI64)) :: &
|
integer(C_INT64_T), dimension(size(bytes,kind=pI64)/(storage_size(0_C_INT64_T,pI64)/8_pI64)) :: &
|
||||||
bytes_to_C_INT64_T
|
prec_bytesToC_INT64_T
|
||||||
|
|
||||||
bytes_to_C_INT64_T = transfer(bytes,bytes_to_C_INT64_T,size(bytes_to_C_INT64_T))
|
prec_bytesToC_INT64_T = transfer(bytes,prec_bytesToC_INT64_T,size(prec_bytesToC_INT64_T))
|
||||||
|
|
||||||
end function bytes_to_C_INT64_T
|
end function prec_bytesToC_INT64_T
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -297,31 +297,29 @@ subroutine selfTest
|
||||||
real(pReal), dimension(1) :: f
|
real(pReal), dimension(1) :: f
|
||||||
integer(pInt), dimension(1) :: i
|
integer(pInt), dimension(1) :: i
|
||||||
real(pReal), dimension(2) :: r
|
real(pReal), dimension(2) :: r
|
||||||
external :: &
|
|
||||||
quit
|
|
||||||
|
|
||||||
realloc_lhs_test = [1,2]
|
realloc_lhs_test = [1,2]
|
||||||
if (any(realloc_lhs_test/=[1,2])) call quit(9000)
|
if (any(realloc_lhs_test/=[1,2])) error stop 'LHS allocation'
|
||||||
|
|
||||||
call random_number(r)
|
call random_number(r)
|
||||||
r = r/minval(r)
|
r = r/minval(r)
|
||||||
if(.not. all(dEq(r,r+PREAL_EPSILON))) call quit(9000)
|
if(.not. all(dEq(r,r+PREAL_EPSILON))) error stop 'dEq'
|
||||||
if(dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) call quit(9000)
|
if(dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) error stop 'dNeq'
|
||||||
if(.not. all(dEq0(r-(r+PREAL_MIN)))) call quit(9000)
|
if(.not. all(dEq0(r-(r+PREAL_MIN)))) error stop 'dEq0'
|
||||||
|
|
||||||
! https://www.binaryconvert.com
|
! https://www.binaryconvert.com
|
||||||
! https://www.rapidtables.com/convert/number/binary-to-decimal.html
|
! https://www.rapidtables.com/convert/number/binary-to-decimal.html
|
||||||
f = real(bytes_to_C_FLOAT(int([-65,+11,-102,+75],C_SIGNED_CHAR)),pReal)
|
f = real(prec_bytesToC_FLOAT(int([-65,+11,-102,+75],C_SIGNED_CHAR)),pReal)
|
||||||
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) call quit(9000)
|
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_FLOAT'
|
||||||
|
|
||||||
f = real(bytes_to_C_DOUBLE(int([0,0,0,-32,+119,+65,+115,65],C_SIGNED_CHAR)),pReal)
|
f = real(prec_bytesToC_DOUBLE(int([0,0,0,-32,+119,+65,+115,65],C_SIGNED_CHAR)),pReal)
|
||||||
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) call quit(9000)
|
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_DOUBLE'
|
||||||
|
|
||||||
i = int(bytes_to_C_INT32_T(int([+126,+23,+52,+1],C_SIGNED_CHAR)),pInt)
|
i = int(prec_bytesToC_INT32_T(int([+126,+23,+52,+1],C_SIGNED_CHAR)),pInt)
|
||||||
if(i(1) /= 20191102_pInt) call quit(9000)
|
if(i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT32_T'
|
||||||
|
|
||||||
i = int(bytes_to_C_INT64_T(int([+126,+23,+52,+1,0,0,0,0],C_SIGNED_CHAR)),pInt)
|
i = int(prec_bytesToC_INT64_T(int([+126,+23,+52,+1,0,0,0,0],C_SIGNED_CHAR)),pInt)
|
||||||
if(i(1) /= 20191102_pInt) call quit(9000)
|
if(i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT64_T'
|
||||||
|
|
||||||
end subroutine selfTest
|
end subroutine selfTest
|
||||||
|
|
||||||
|
|
|
@ -7,7 +7,6 @@
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
module quaternions
|
module quaternions
|
||||||
use prec
|
use prec
|
||||||
use IO
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
@ -109,11 +108,12 @@ contains
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief do self test
|
!> @brief Do self test.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine quaternions_init
|
subroutine quaternions_init
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- quaternions init -+>>>'; flush(6)
|
print'(/,a)', ' <<<+- quaternions init -+>>>'; flush(6)
|
||||||
|
|
||||||
call selfTest
|
call selfTest
|
||||||
|
|
||||||
end subroutine quaternions_init
|
end subroutine quaternions_init
|
||||||
|
@ -464,67 +464,67 @@ subroutine selfTest
|
||||||
real(pReal), dimension(4) :: qu
|
real(pReal), dimension(4) :: qu
|
||||||
type(quaternion) :: q, q_2
|
type(quaternion) :: q, q_2
|
||||||
|
|
||||||
if(dNeq(abs(P),1.0_pReal)) call IO_error(0,ext_msg='P not in {-1,+1}')
|
if(dNeq(abs(P),1.0_pReal)) error stop 'P not in {-1,+1}'
|
||||||
|
|
||||||
call random_number(qu)
|
call random_number(qu)
|
||||||
qu = (qu-0.5_pReal) * 2.0_pReal
|
qu = (qu-0.5_pReal) * 2.0_pReal
|
||||||
q = quaternion(qu)
|
q = quaternion(qu)
|
||||||
|
|
||||||
q_2= qu
|
q_2= qu
|
||||||
if(any(dNeq(q%asArray(),q_2%asArray()))) call IO_error(0,ext_msg='assign_vec__')
|
if(any(dNeq(q%asArray(),q_2%asArray()))) error stop 'assign_vec__'
|
||||||
|
|
||||||
q_2 = q + q
|
q_2 = q + q
|
||||||
if(any(dNeq(q_2%asArray(),2.0_pReal*qu))) call IO_error(0,ext_msg='add__')
|
if(any(dNeq(q_2%asArray(),2.0_pReal*qu))) error stop 'add__'
|
||||||
|
|
||||||
q_2 = q - q
|
q_2 = q - q
|
||||||
if(any(dNeq0(q_2%asArray()))) call IO_error(0,ext_msg='sub__')
|
if(any(dNeq0(q_2%asArray()))) error stop 'sub__'
|
||||||
|
|
||||||
q_2 = q * 5.0_pReal
|
q_2 = q * 5.0_pReal
|
||||||
if(any(dNeq(q_2%asArray(),5.0_pReal*qu))) call IO_error(0,ext_msg='mul__')
|
if(any(dNeq(q_2%asArray(),5.0_pReal*qu))) error stop 'mul__'
|
||||||
|
|
||||||
q_2 = q / 0.5_pReal
|
q_2 = q / 0.5_pReal
|
||||||
if(any(dNeq(q_2%asArray(),2.0_pReal*qu))) call IO_error(0,ext_msg='div__')
|
if(any(dNeq(q_2%asArray(),2.0_pReal*qu))) error stop 'div__'
|
||||||
|
|
||||||
q_2 = q * 0.3_pReal
|
q_2 = q * 0.3_pReal
|
||||||
if(dNeq0(abs(q)) .and. q_2 == q) call IO_error(0,ext_msg='eq__')
|
if(dNeq0(abs(q)) .and. q_2 == q) error stop 'eq__'
|
||||||
|
|
||||||
q_2 = q
|
q_2 = q
|
||||||
if(q_2 /= q) call IO_error(0,ext_msg='neq__')
|
if(q_2 /= q) error stop 'neq__'
|
||||||
|
|
||||||
if(dNeq(abs(q),norm2(qu))) call IO_error(0,ext_msg='abs__')
|
if(dNeq(abs(q),norm2(qu))) error stop 'abs__'
|
||||||
if(dNeq(abs(q)**2.0_pReal, real(q*q%conjg()),1.0e-14_pReal)) &
|
if(dNeq(abs(q)**2.0_pReal, real(q*q%conjg()),1.0e-14_pReal)) &
|
||||||
call IO_error(0,ext_msg='abs__/*conjg')
|
error stop 'abs__/*conjg'
|
||||||
|
|
||||||
if(any(dNeq(q%asArray(),qu))) call IO_error(0,ext_msg='eq__')
|
if(any(dNeq(q%asArray(),qu))) error stop 'eq__'
|
||||||
if(dNeq(q%real(), qu(1))) call IO_error(0,ext_msg='real()')
|
if(dNeq(q%real(), qu(1))) error stop 'real()'
|
||||||
if(any(dNeq(q%aimag(), qu(2:4)))) call IO_error(0,ext_msg='aimag()')
|
if(any(dNeq(q%aimag(), qu(2:4)))) error stop 'aimag()'
|
||||||
|
|
||||||
q_2 = q%homomorphed()
|
q_2 = q%homomorphed()
|
||||||
if(q /= q_2* (-1.0_pReal)) call IO_error(0,ext_msg='homomorphed')
|
if(q /= q_2* (-1.0_pReal)) error stop 'homomorphed'
|
||||||
if(dNeq(q_2%real(), qu(1)* (-1.0_pReal))) call IO_error(0,ext_msg='homomorphed/real')
|
if(dNeq(q_2%real(), qu(1)* (-1.0_pReal))) error stop 'homomorphed/real'
|
||||||
if(any(dNeq(q_2%aimag(),qu(2:4)*(-1.0_pReal)))) call IO_error(0,ext_msg='homomorphed/aimag')
|
if(any(dNeq(q_2%aimag(),qu(2:4)*(-1.0_pReal)))) error stop 'homomorphed/aimag'
|
||||||
|
|
||||||
q_2 = conjg(q)
|
q_2 = conjg(q)
|
||||||
if(dNeq(abs(q),abs(q_2))) call IO_error(0,ext_msg='conjg/abs')
|
if(dNeq(abs(q),abs(q_2))) error stop 'conjg/abs'
|
||||||
if(q /= conjg(q_2)) call IO_error(0,ext_msg='conjg/involution')
|
if(q /= conjg(q_2)) error stop 'conjg/involution'
|
||||||
if(dNeq(q_2%real(), q%real())) call IO_error(0,ext_msg='conjg/real')
|
if(dNeq(q_2%real(), q%real())) error stop 'conjg/real'
|
||||||
if(any(dNeq(q_2%aimag(),q%aimag()*(-1.0_pReal)))) call IO_error(0,ext_msg='conjg/aimag')
|
if(any(dNeq(q_2%aimag(),q%aimag()*(-1.0_pReal)))) error stop 'conjg/aimag'
|
||||||
|
|
||||||
if(abs(q) > 0.0_pReal) then
|
if(abs(q) > 0.0_pReal) then
|
||||||
q_2 = q * q%inverse()
|
q_2 = q * q%inverse()
|
||||||
if( dNeq(real(q_2), 1.0_pReal,1.0e-15_pReal)) call IO_error(0,ext_msg='inverse/real')
|
if( dNeq(real(q_2), 1.0_pReal,1.0e-15_pReal)) error stop 'inverse/real'
|
||||||
if(any(dNeq0(aimag(q_2), 1.0e-15_pReal))) call IO_error(0,ext_msg='inverse/aimag')
|
if(any(dNeq0(aimag(q_2), 1.0e-15_pReal))) error stop 'inverse/aimag'
|
||||||
|
|
||||||
q_2 = q/abs(q)
|
q_2 = q/abs(q)
|
||||||
q_2 = conjg(q_2) - inverse(q_2)
|
q_2 = conjg(q_2) - inverse(q_2)
|
||||||
if(any(dNeq0(q_2%asArray(),1.0e-15_pReal))) call IO_error(0,ext_msg='inverse/conjg')
|
if(any(dNeq0(q_2%asArray(),1.0e-15_pReal))) error stop 'inverse/conjg'
|
||||||
endif
|
endif
|
||||||
if(dNeq(dot_product(qu,qu),dot_product(q,q))) call IO_error(0,ext_msg='dot_product')
|
if(dNeq(dot_product(qu,qu),dot_product(q,q))) error stop 'dot_product'
|
||||||
|
|
||||||
#if !(defined(__GFORTRAN__) && __GNUC__ < 9)
|
#if !(defined(__GFORTRAN__) && __GNUC__ < 9)
|
||||||
if (norm2(aimag(q)) > 0.0_pReal) then
|
if (norm2(aimag(q)) > 0.0_pReal) then
|
||||||
if (dNeq0(abs(q-exp(log(q))),1.0e-13_pReal)) call IO_error(0,ext_msg='exp/log')
|
if (dNeq0(abs(q-exp(log(q))),1.0e-13_pReal)) error stop 'exp/log'
|
||||||
if (dNeq0(abs(q-log(exp(q))),1.0e-13_pReal)) call IO_error(0,ext_msg='log/exp')
|
if (dNeq0(abs(q-log(exp(q))),1.0e-13_pReal)) error stop 'log/exp'
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
|
@ -6,8 +6,8 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module results
|
module results
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
|
use parallelization
|
||||||
use rotations
|
use rotations
|
||||||
use config
|
|
||||||
use HDF5_utilities
|
use HDF5_utilities
|
||||||
#ifdef PETSc
|
#ifdef PETSc
|
||||||
use PETSC
|
use PETSC
|
||||||
|
|
|
@ -99,15 +99,15 @@ module rotations
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief do self test
|
!> @brief Do self test.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine rotations_init
|
subroutine rotations_init
|
||||||
|
|
||||||
call quaternions_init
|
call quaternions_init
|
||||||
write(6,'(/,a)') ' <<<+- rotations init -+>>>'; flush(6)
|
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(6)
|
||||||
|
|
||||||
write(6,'(/,a)') ' Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
|
print*, 'Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
|
||||||
write(6,'(a)') ' https://doi.org/10.1088/0965-0393/23/8/083501'
|
print*, 'https://doi.org/10.1088/0965-0393/23/8/083501'
|
||||||
|
|
||||||
call selfTest
|
call selfTest
|
||||||
|
|
||||||
|
@ -1371,14 +1371,11 @@ subroutine selfTest
|
||||||
real(pReal), dimension(3) :: x, eu, ho, v3
|
real(pReal), dimension(3) :: x, eu, ho, v3
|
||||||
real(pReal), dimension(3,3) :: om, t33
|
real(pReal), dimension(3,3) :: om, t33
|
||||||
real(pReal), dimension(3,3,3,3) :: t3333
|
real(pReal), dimension(3,3,3,3) :: t3333
|
||||||
character(len=pStringLen) :: msg
|
|
||||||
real :: A,B
|
real :: A,B
|
||||||
integer :: i
|
integer :: i
|
||||||
|
|
||||||
do i=1,10
|
do i=1,10
|
||||||
|
|
||||||
msg = ''
|
|
||||||
|
|
||||||
#if defined(__GFORTRAN__) && __GNUC__<9
|
#if defined(__GFORTRAN__) && __GNUC__<9
|
||||||
if(i<7) cycle
|
if(i<7) cycle
|
||||||
#endif
|
#endif
|
||||||
|
@ -1405,55 +1402,54 @@ subroutine selfTest
|
||||||
sin(2.0_pReal*PI*x(1))*A]
|
sin(2.0_pReal*PI*x(1))*A]
|
||||||
if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
|
if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
|
||||||
endif
|
endif
|
||||||
if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) msg = trim(msg)//'om2qu/qu2om,'
|
if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) error stop 'om2qu/qu2om'
|
||||||
if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) msg = trim(msg)//'eu2qu/qu2eu,'
|
if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) error stop 'eu2qu/qu2eu'
|
||||||
if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) msg = trim(msg)//'ax2qu/qu2ax,'
|
if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) error stop 'ax2qu/qu2ax'
|
||||||
if(.not. quaternion_equal(ro2qu(qu2ro(qu)),qu)) msg = trim(msg)//'ro2qu/qu2ro,'
|
if(.not. quaternion_equal(ro2qu(qu2ro(qu)),qu)) error stop 'ro2qu/qu2ro'
|
||||||
if(.not. quaternion_equal(ho2qu(qu2ho(qu)),qu)) msg = trim(msg)//'ho2qu/qu2ho,'
|
if(.not. quaternion_equal(ho2qu(qu2ho(qu)),qu)) error stop 'ho2qu/qu2ho'
|
||||||
if(.not. quaternion_equal(cu2qu(qu2cu(qu)),qu)) msg = trim(msg)//'cu2qu/qu2cu,'
|
if(.not. quaternion_equal(cu2qu(qu2cu(qu)),qu)) error stop 'cu2qu/qu2cu'
|
||||||
|
|
||||||
om = qu2om(qu)
|
om = qu2om(qu)
|
||||||
if(.not. quaternion_equal(om2qu(eu2om(om2eu(om))),qu)) msg = trim(msg)//'eu2om/om2eu,'
|
if(.not. quaternion_equal(om2qu(eu2om(om2eu(om))),qu)) error stop 'eu2om/om2eu'
|
||||||
if(.not. quaternion_equal(om2qu(ax2om(om2ax(om))),qu)) msg = trim(msg)//'ax2om/om2ax,'
|
if(.not. quaternion_equal(om2qu(ax2om(om2ax(om))),qu)) error stop 'ax2om/om2ax'
|
||||||
if(.not. quaternion_equal(om2qu(ro2om(om2ro(om))),qu)) msg = trim(msg)//'ro2om/om2ro,'
|
if(.not. quaternion_equal(om2qu(ro2om(om2ro(om))),qu)) error stop 'ro2om/om2ro'
|
||||||
if(.not. quaternion_equal(om2qu(ho2om(om2ho(om))),qu)) msg = trim(msg)//'ho2om/om2ho,'
|
if(.not. quaternion_equal(om2qu(ho2om(om2ho(om))),qu)) error stop 'ho2om/om2ho'
|
||||||
if(.not. quaternion_equal(om2qu(cu2om(om2cu(om))),qu)) msg = trim(msg)//'cu2om/om2cu,'
|
if(.not. quaternion_equal(om2qu(cu2om(om2cu(om))),qu)) error stop 'cu2om/om2cu'
|
||||||
|
|
||||||
eu = qu2eu(qu)
|
eu = qu2eu(qu)
|
||||||
if(.not. quaternion_equal(eu2qu(ax2eu(eu2ax(eu))),qu)) msg = trim(msg)//'ax2eu/eu2ax,'
|
if(.not. quaternion_equal(eu2qu(ax2eu(eu2ax(eu))),qu)) error stop 'ax2eu/eu2ax'
|
||||||
if(.not. quaternion_equal(eu2qu(ro2eu(eu2ro(eu))),qu)) msg = trim(msg)//'ro2eu/eu2ro,'
|
if(.not. quaternion_equal(eu2qu(ro2eu(eu2ro(eu))),qu)) error stop 'ro2eu/eu2ro'
|
||||||
if(.not. quaternion_equal(eu2qu(ho2eu(eu2ho(eu))),qu)) msg = trim(msg)//'ho2eu/eu2ho,'
|
if(.not. quaternion_equal(eu2qu(ho2eu(eu2ho(eu))),qu)) error stop 'ho2eu/eu2ho'
|
||||||
if(.not. quaternion_equal(eu2qu(cu2eu(eu2cu(eu))),qu)) msg = trim(msg)//'cu2eu/eu2cu,'
|
if(.not. quaternion_equal(eu2qu(cu2eu(eu2cu(eu))),qu)) error stop 'cu2eu/eu2cu'
|
||||||
|
|
||||||
ax = qu2ax(qu)
|
ax = qu2ax(qu)
|
||||||
if(.not. quaternion_equal(ax2qu(ro2ax(ax2ro(ax))),qu)) msg = trim(msg)//'ro2ax/ax2ro,'
|
if(.not. quaternion_equal(ax2qu(ro2ax(ax2ro(ax))),qu)) error stop 'ro2ax/ax2ro'
|
||||||
if(.not. quaternion_equal(ax2qu(ho2ax(ax2ho(ax))),qu)) msg = trim(msg)//'ho2ax/ax2ho,'
|
if(.not. quaternion_equal(ax2qu(ho2ax(ax2ho(ax))),qu)) error stop 'ho2ax/ax2ho'
|
||||||
if(.not. quaternion_equal(ax2qu(cu2ax(ax2cu(ax))),qu)) msg = trim(msg)//'cu2ax/ax2cu,'
|
if(.not. quaternion_equal(ax2qu(cu2ax(ax2cu(ax))),qu)) error stop 'cu2ax/ax2cu'
|
||||||
|
|
||||||
ro = qu2ro(qu)
|
ro = qu2ro(qu)
|
||||||
if(.not. quaternion_equal(ro2qu(ho2ro(ro2ho(ro))),qu)) msg = trim(msg)//'ho2ro/ro2ho,'
|
if(.not. quaternion_equal(ro2qu(ho2ro(ro2ho(ro))),qu)) error stop 'ho2ro/ro2ho'
|
||||||
if(.not. quaternion_equal(ro2qu(cu2ro(ro2cu(ro))),qu)) msg = trim(msg)//'cu2ro/ro2cu,'
|
if(.not. quaternion_equal(ro2qu(cu2ro(ro2cu(ro))),qu)) error stop 'cu2ro/ro2cu'
|
||||||
|
|
||||||
ho = qu2ho(qu)
|
ho = qu2ho(qu)
|
||||||
if(.not. quaternion_equal(ho2qu(cu2ho(ho2cu(ho))),qu)) msg = trim(msg)//'cu2ho/ho2cu,'
|
if(.not. quaternion_equal(ho2qu(cu2ho(ho2cu(ho))),qu)) error stop 'cu2ho/ho2cu'
|
||||||
|
|
||||||
call R%fromMatrix(om)
|
call R%fromMatrix(om)
|
||||||
|
|
||||||
call random_number(v3)
|
call random_number(v3)
|
||||||
if(all(dNeq(R%rotVector(R%rotVector(v3),active=.true.),v3,1.0e-12_pReal))) &
|
if(all(dNeq(R%rotVector(R%rotVector(v3),active=.true.),v3,1.0e-12_pReal))) &
|
||||||
msg = trim(msg)//'rotVector,'
|
error stop 'rotVector'
|
||||||
|
|
||||||
call random_number(t33)
|
call random_number(t33)
|
||||||
if(all(dNeq(R%rotTensor2(R%rotTensor2(t33),active=.true.),t33,1.0e-12_pReal))) &
|
if(all(dNeq(R%rotTensor2(R%rotTensor2(t33),active=.true.),t33,1.0e-12_pReal))) &
|
||||||
msg = trim(msg)//'rotTensor2,'
|
error stop 'rotTensor2'
|
||||||
|
|
||||||
call random_number(t3333)
|
call random_number(t3333)
|
||||||
if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
|
if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
|
||||||
msg = trim(msg)//'rotTensor4,'
|
error stop 'rotTensor4'
|
||||||
|
|
||||||
if(len_trim(msg) /= 0) call IO_error(0,ext_msg=msg)
|
|
||||||
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
function quaternion_equal(qu1,qu2) result(ok)
|
function quaternion_equal(qu1,qu2) result(ok)
|
||||||
|
|
|
@ -57,7 +57,7 @@ module function source_damage_anisoBrittle_init(source_length) result(mySources)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_damage_anisoBrittle_offset (phases%length), source=0)
|
allocate(source_damage_anisoBrittle_offset (phases%length), source=0)
|
||||||
allocate(source_damage_anisoBrittle_instance(phases%length), source=0)
|
allocate(source_damage_anisoBrittle_instance(phases%length), source=0)
|
||||||
|
|
|
@ -52,7 +52,7 @@ module function source_damage_anisoDuctile_init(source_length) result(mySources)
|
||||||
|
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_damage_anisoDuctile_offset (phases%length), source=0)
|
allocate(source_damage_anisoDuctile_offset (phases%length), source=0)
|
||||||
allocate(source_damage_anisoDuctile_instance(phases%length), source=0)
|
allocate(source_damage_anisoDuctile_instance(phases%length), source=0)
|
||||||
|
|
|
@ -47,7 +47,7 @@ module function source_damage_isoBrittle_init(source_length) result(mySources)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_damage_isoBrittle_offset (phases%length), source=0)
|
allocate(source_damage_isoBrittle_offset (phases%length), source=0)
|
||||||
allocate(source_damage_isoBrittle_instance(phases%length), source=0)
|
allocate(source_damage_isoBrittle_instance(phases%length), source=0)
|
||||||
|
|
|
@ -49,7 +49,7 @@ module function source_damage_isoDuctile_init(source_length) result(mySources)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_damage_isoDuctile_offset (phases%length), source=0)
|
allocate(source_damage_isoDuctile_offset (phases%length), source=0)
|
||||||
allocate(source_damage_isoDuctile_instance(phases%length), source=0)
|
allocate(source_damage_isoDuctile_instance(phases%length), source=0)
|
||||||
|
|
|
@ -45,7 +45,7 @@ module function source_thermal_dissipation_init(source_length) result(mySources)
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_thermal_dissipation_offset (phases%length), source=0)
|
allocate(source_thermal_dissipation_offset (phases%length), source=0)
|
||||||
allocate(source_thermal_dissipation_instance(phases%length), source=0)
|
allocate(source_thermal_dissipation_instance(phases%length), source=0)
|
||||||
|
|
|
@ -49,7 +49,7 @@ module function source_thermal_externalheat_init(source_length) result(mySources
|
||||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||||
if(Ninstance == 0) return
|
if(Ninstance == 0) return
|
||||||
|
|
||||||
phases => material_root%get('phase')
|
phases => config_material%get('phase')
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
allocate(source_thermal_externalheat_offset (phases%length), source=0)
|
allocate(source_thermal_externalheat_offset (phases%length), source=0)
|
||||||
allocate(source_thermal_externalheat_instance(phases%length), source=0)
|
allocate(source_thermal_externalheat_instance(phases%length), source=0)
|
||||||
|
|
|
@ -53,7 +53,7 @@ subroutine thermal_adiabatic_init
|
||||||
|
|
||||||
allocate(param(maxNinstance))
|
allocate(param(maxNinstance))
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, material_Nhomogenization
|
do h = 1, material_Nhomogenization
|
||||||
if (thermal_type(h) /= THERMAL_adiabatic_ID) cycle
|
if (thermal_type(h) /= THERMAL_adiabatic_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
|
|
|
@ -52,7 +52,7 @@ subroutine thermal_conduction_init
|
||||||
Ninstance = count(thermal_type == THERMAL_conduction_ID)
|
Ninstance = count(thermal_type == THERMAL_conduction_ID)
|
||||||
allocate(param(Ninstance))
|
allocate(param(Ninstance))
|
||||||
|
|
||||||
material_homogenization => material_root%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
do h = 1, material_Nhomogenization
|
do h = 1, material_Nhomogenization
|
||||||
if (thermal_type(h) /= THERMAL_conduction_ID) cycle
|
if (thermal_type(h) /= THERMAL_conduction_ID) cycle
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(h)
|
||||||
|
|
Loading…
Reference in New Issue