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DAMASK_EICMD
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all YAML related initialization is constant (linear in number of points)

This commit is contained in:
Martin Diehl 2022-04-14 12:55:11 +02:00
parent 3309360e4b
commit b56176d670
1 changed files with 56 additions and 69 deletions
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125
src/material.f90
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@ -94,7 +94,10 @@ subroutine parse()
class(tItem), pointer :: item
integer, dimension(:), allocatable :: &
counterPhase, &
counterHomogenization
counterHomogenization, &
temp_ho
integer, dimension(:,:), allocatable :: temp_ph
real(pReal), dimension(:,:), allocatable :: temp_v
real(pReal) :: v
integer :: &
@ -108,8 +111,6 @@ subroutine parse()
phases => config_material%get('phase')
homogenizations => config_material%get('homogenization')
call sanityCheck(materials, homogenizations)
#if defined (__GFORTRAN__)
material_name_phase = getKeys(phases)
material_name_homogenization = getKeys(homogenizations)
@ -136,10 +137,56 @@ subroutine parse()
allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pReal)
do el = 1, discretization_Nelems
material => materials%get(discretization_materialAt(el))
allocate(material_O_0(materials%length))
allocate(material_F_i_0(materials%length))
select type(materials)
class is(tList)
if (maxval(discretization_materialAt) > materials%length) &
call IO_error(155,ext_msg='More materials requested than found in material.yaml')
allocate(temp_ho(materials%length))
allocate(temp_ph(materials%length,homogenization_maxNconstituents),source=-1)
allocate(temp_v(materials%length,homogenization_maxNconstituents),source=0.0_pReal)
item => materials%first
do ma = 1, materials%length
material => item%node
temp_ho(ma) = homogenizations%getIndex(material%get_asString('homogenization'))
constituents => material%get('constituents')
homogenization => homogenizations%get(temp_ho(ma))
if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
allocate(material_O_0(ma)%data(constituents%length))
allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
do co = 1, constituents%length
constituent => constituents%get(co)
temp_v(ma,co) = constituent%get_asFloat('v')
temp_ph(ma,co) = phases%getIndex(constituent%get_asString('phase'))
call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
end do
if (dNeq(sum(temp_v(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent')
item => item%next
end do
end select
! build mappings
do el = 1, discretization_Nelems
ma = discretization_materialAt(el)
ho = temp_ho(ma)
ho = homogenizations%getIndex(material%get_asString('homogenization'))
do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip
material_homogenizationID(ce) = ho
@ -147,13 +194,11 @@ subroutine parse()
material_homogenizationEntry(ce) = counterHomogenization(ho)
end do
constituents => material%get('constituents')
do co = 1, constituents%length
constituent => constituents%get(co)
do co = 1, size(temp_ph(ma,:)>0)
v = constituent%get_asFloat('v')
v = temp_v(ma,co)
ph = temp_ph(ma,co)
ph = phases%getIndex(constituent%get_asString('phase'))
do ip = 1, discretization_nIPs
ce = (el-1)*discretization_nIPs + ip
material_phaseID(co,ce) = ph
@ -163,68 +208,10 @@ subroutine parse()
end do
end do
if (dNeq(sum(material_v(1:constituents%length,ce)),1.0_pReal,1.e-9_pReal)) &
call IO_error(153,ext_msg='constituent')
end do
allocate(material_O_0(materials%length))
allocate(material_F_i_0(materials%length))
! manual iteration for performance
select type(materials)
class is(tList)
item => materials%first
do ma = 1, materials%length
material => item%node
constituents => material%get('constituents')
allocate(material_O_0(ma)%data(constituents%length))
allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
do co = 1, constituents%length
constituent => constituents%get(co)
call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
end do
item => item%next
end do
end select
end subroutine parse
!--------------------------------------------------------------------------------------------------
!> @brief Check if material.yaml is consistent and contains sufficient # of materials
!--------------------------------------------------------------------------------------------------
subroutine sanityCheck(materials,homogenizations)
class(tNode), intent(in) :: materials, &
homogenizations
class(tNode), pointer :: material, &
homogenization, &
constituents
class(tItem), pointer :: item
integer :: m
if (maxval(discretization_materialAt) > materials%length) &
call IO_error(155,ext_msg='More materials requested than found in material.yaml')
! manual iteration for performance
select type(materials)
class is(tList)
item => materials%first
do m = 1, materials%length
material => materials%get(m)
constituents => material%get('constituents')
homogenization => homogenizations%get(material%get_asString('homogenization'))
if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
item => item%next
end do
end select
end subroutine sanityCheck
#if defined (__GFORTRAN__)
!--------------------------------------------------------------------------------------------------
!> @brief %keys() is broken on gfortran