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DAMASK_EICMD
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Merge branch 'development' into pretty-print-init

This commit is contained in:
Philip Eisenlohr 2021-11-16 12:56:38 -05:00
parent 43ae4983ed 3c7598c189
commit 4ebf14317a
9 changed files with 125 additions and 103 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit f730bcb8ddd7224011e70c57d0a5c03068532d2d
Subproject commit ee4b1a03b443a2c497a13c45c9498313442d731e

38
install/MarcMentat/apply_DAMASK_modifications.py
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@ -8,7 +8,7 @@ from pathlib import Path
import damask
def copy_and_patch(patch,orig,msc_root,editor):
def copy_and_patch(patch,orig,marc_root,editor):
try:
shutil.copyfile(orig,orig.parent/patch.stem)
except shutil.SameFileError:
@ -17,31 +17,31 @@ def copy_and_patch(patch,orig,msc_root,editor):
with open(orig.parent/patch.stem) as f_in:
content = f_in.read()
with open(orig.parent/patch.stem,'w') as f_out:
f_out.write(content.replace('%INSTALLDIR%',msc_root).replace('%EDITOR%',editor))
f_out.write(content.replace('%INSTALLDIR%',marc_root).replace('%EDITOR%',editor))
parser = argparse.ArgumentParser(
description='Apply DAMASK modification to MSC.Marc/Mentat',
description='Apply DAMASK modification to MSC Marc/Mentat',
prog = Path(__file__).name,
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
help='Name of the editor for MSC.Mentat (executable)')
parser.add_argument('--msc-root', dest='msc_root', metavar='string',
default=damask.solver._marc._msc_root,
help='MSC.Marc/Mentat root directory')
parser.add_argument('--msc-version', dest='msc_version', type=float, metavar='float',
default=damask.solver._marc._msc_version,
help='MSC.Marc/Mentat version')
help='Name of the editor for Marc Mentat (executable)')
parser.add_argument('--marc-root', dest='marc_root', metavar='string',
default=damask.solver._marc._marc_root,
help='Marc root directory')
parser.add_argument('--marc-version', dest='marc_version', type=float, metavar='float',
default=damask.solver._marc._marc_version,
help='Marc version')
parser.add_argument('--damask-root', dest='damask_root', metavar = 'string',
default=damask.solver._marc._damask_root,
help='DAMASK root directory')
args = parser.parse_args()
msc_root = Path(args.msc_root).expanduser()
marc_root = Path(args.marc_root).expanduser()
damask_root = Path(args.damask_root).expanduser()
msc_version = int(args.msc_version) if str(args.msc_version).split('.')[1] == '0' else \
args.msc_version
marc_version = int(args.marc_version) if str(args.marc_version).split('.')[1] == '0' else \
args.marc_version
matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
['run_marc','run_damask_*mp'],
@ -54,15 +54,15 @@ matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
print('patching files...\n')
for directory in glob.glob(str(damask_root/f'install/MarcMentat/{msc_version}/*')):
for directory in glob.glob(str(damask_root/f'install/MarcMentat/{marc_version}/*')):
for orig, mods in matches[Path(directory).name]:
product,subfolder = (msc_root/Path(directory)).name.split('_')
orig = msc_root/f'{product.lower()}{msc_version}/{subfolder}/{orig}'
product,subfolder = (marc_root/Path(directory)).name.split('_')
orig = marc_root/f'{product.lower()}{marc_version}/{subfolder}/{orig}'
for patch in glob.glob(f'{directory}/{mods}.patch'):
copy_and_patch(Path(patch),orig,msc_root,args.editor)
copy_and_patch(Path(patch),orig,marc_root,args.editor)
print('compiling Mentat menu binaries...')
executable = msc_root/f'mentat{msc_version}/bin/mentat'
menu_file = msc_root/f'mentat{msc_version}/menus/linux64/main.msb'
executable = marc_root/f'mentat{marc_version}/bin/mentat'
menu_file = marc_root/f'mentat{marc_version}/menus/linux64/main.msb'
os.system(f'xvfb-run -a {executable} -compile {menu_file}')

2
python/damask/VERSION
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@ -1 +1 @@
v3.0.0-alpha5-90-gbb6655045
v3.0.0-alpha5-105-g020759996

8
python/damask/_configmaterial.py
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@ -440,9 +440,10 @@ class ConfigMaterial(Config):
"""
N,n,shaped = 1,1,{}
map_dim = {'O':-1,'F_i':-2}
for k,v in kwargs.items():
shaped[k] = np.array(v)
s = shaped[k].shape[:-1] if k=='O' else shaped[k].shape
s = shaped[k].shape[:map_dim.get(k,None)]
N = max(N,s[0]) if len(s)>0 else N
n = max(n,s[1]) if len(s)>1 else n
@ -451,11 +452,12 @@ class ConfigMaterial(Config):
if 'v' not in kwargs:
shaped['v'] = np.broadcast_to(1/n,(N,n))
map_shape = {'O':(N,n,4),'F_i':(N,n,3,3)}
for k,v in shaped.items():
target = (N,n,4) if k=='O' else (N,n)
target = map_shape.get(k,(N,n))
obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape,target,mode='right')),target)
for i in range(N):
if k in ['phase','O','v']:
if k in ['phase','O','v','F_i']:
for j in range(n):
mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
else:

16
python/damask/solver/_marc.py
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@ -3,14 +3,14 @@ import shlex
import re
from pathlib import Path
_msc_version = 2021.2
_msc_root = '/opt/msc'
_marc_version = 2021.2
_marc_root = '/opt/msc'
_damask_root = str(Path(__file__).parents[3])
class Marc:
"""Wrapper to run DAMASK with MSC.Marc."""
"""Wrapper to run DAMASK with MSC Marc."""
def __init__(self,msc_version=_msc_version,msc_root=_msc_root,damask_root=_damask_root):
def __init__(self,marc_version=_marc_version,marc_root=_marc_root,damask_root=_damask_root):
"""
Create a Marc solver object.
@ -20,14 +20,14 @@ class Marc:
Marc version
"""
self.msc_version = msc_version
self.msc_root = Path(msc_root)
self.marc_version = marc_version
self.marc_root = Path(marc_root)
self.damask_root = Path(damask_root)
@property
def library_path(self):
path_lib = self.msc_root/f'mentat{self.msc_version}/shlib/linux64'
path_lib = self.marc_root/f'mentat{self.marc_version}/shlib/linux64'
if not path_lib.is_dir():
raise FileNotFoundError(f'library path "{path_lib}" not found')
@ -37,7 +37,7 @@ class Marc:
@property
def tools_path(self):
path_tools = self.msc_root/f'marc{self.msc_version}/tools'
path_tools = self.marc_root/f'marc{self.marc_version}/tools'
if not path_tools.is_dir():
raise FileNotFoundError(f'tools path "{path_tools}" not found')

3
python/tests/test_ConfigMaterial.py
View File

@ -99,12 +99,15 @@ class TestConfigMaterial:
@pytest.mark.parametrize('N,n,kw',[
(1,1,{'phase':'Gold',
'O':[1,0,0,0],
'F_i':np.eye(3),
'homogenization':'SX'}),
(3,1,{'phase':'Gold',
'O':Rotation.from_random(3),
'F_i':np.broadcast_to(np.eye(3),(3,3,3)),
'homogenization':'SX'}),
(2,3,{'phase':np.broadcast_to(['a','b','c'],(2,3)),
'O':Rotation.from_random((2,3)),
'F_i':np.broadcast_to(np.eye(3),(2,3,3,3)),
'homogenization':['SX','PX']}),
])
def test_material_add(self,kw,N,n):

5
src/material.f90
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@ -26,6 +26,7 @@ module material
type(tRotationContainer), dimension(:), allocatable :: material_O_0
type(tTensorContainer), dimension(:), allocatable :: material_F_i_0
integer, dimension(:), allocatable, public, protected :: &
homogenization_Nconstituents !< number of grains in each homogenization
@ -48,6 +49,7 @@ module material
public :: &
tTensorContainer, &
tRotationContainer, &
material_F_i_0, &
material_O_0, &
material_init
@ -159,14 +161,17 @@ subroutine parse()
end do
allocate(material_O_0(materials%length))
allocate(material_F_i_0(materials%length))
do ma = 1, materials%length
material => materials%get(ma)
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])
enddo
enddo

13
src/phase_mechanical.f90
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@ -205,6 +205,9 @@ module subroutine mechanical_init(phases)
phases
integer :: &
ce, &
co, &
ma, &
ph, &
en, &
Nmembers
@ -261,15 +264,21 @@ module subroutine mechanical_init(phases)
#endif
enddo
do ce = 1, size(material_phaseID,2)
ma = discretization_materialAt((ce-1)/discretization_nIPs+1)
do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
ph = material_phaseID(co,ce)
phase_mechanical_Fi0(ph)%data(1:3,1:3,material_phaseEntry(co,ce)) = material_F_i_0(ma)%data(1:3,1:3,co)
enddo
enddo
do ph = 1, phases%length
do en = 1, count(material_phaseID == ph)
phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_O_0(ph)%data(en)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) &
/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,en))**(1.0_pReal/3.0_pReal)
phase_mechanical_Fi0(ph)%data(1:3,1:3,en) = math_I3
phase_mechanical_F0(ph)%data(1:3,1:3,en) = math_I3
phase_mechanical_Fe(ph)%data(1:3,1:3,en) = math_inv33(matmul(phase_mechanical_Fi0(ph)%data(1:3,1:3,en), &
phase_mechanical_Fp0(ph)%data(1:3,1:3,en))) ! assuming that euler angles are given in internal strain free configuration
enddo

41
src/phase_mechanical_plastic.f90
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@ -262,15 +262,16 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
i, j
if (phase_plasticity(ph) == PLASTICITY_NONE_ID) then
Lp = 0.0_pReal
dLp_dFi = 0.0_pReal
dLp_dS = 0.0_pReal
else
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_NONE_ID) plasticType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticType
call isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
@ -297,6 +298,8 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
end do; end do
end if
end subroutine plastic_LpAndItsTangents
@ -318,6 +321,7 @@ module function plastic_dotState(subdt,co,ip,el,ph,en) result(broken)
logical :: broken
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),phase_mechanical_S(ph)%data(1:3,1:3,en))
@ -341,8 +345,9 @@ module function plastic_dotState(subdt,co,ip,el,ph,en) result(broken)
case (PLASTICITY_NONLOCAL_ID) plasticType
call nonlocal_dotState(Mp,thermal_T(ph,en),subdt,ph,en,ip,el)
end select plasticType
broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,en)))
end if
broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,en)))
end function plastic_dotState
@ -390,8 +395,7 @@ module function plastic_deltaState(ph, en) result(broken)
integer, intent(in) :: &
ph, &
en
logical :: &
broken
logical :: broken
real(pReal), dimension(3,3) :: &
Mp
@ -399,36 +403,35 @@ module function plastic_deltaState(ph, en) result(broken)
myOffset, &
mySize
broken = .false.
select case (phase_plasticity(ph))
case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),phase_mechanical_S(ph)%data(1:3,1:3,en))
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
phase_mechanical_S(ph)%data(1:3,1:3,en))
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_KINEHARDENING_ID) plasticType
call plastic_kinehardening_deltaState(Mp,ph,en)
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
case (PLASTICITY_NONLOCAL_ID) plasticType
call plastic_nonlocal_deltaState(Mp,ph,en)
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
case default
broken = .false.
end select plasticType
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
if (.not. broken) then
select case(phase_plasticity(ph))
case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
myOffset = plasticState(ph)%offsetDeltaState
mySize = plasticState(ph)%sizeDeltaState
plasticState(ph)%state(myOffset + 1:myOffset + mySize,en) = &
plasticState(ph)%state(myOffset + 1:myOffset + mySize,en) + plasticState(ph)%deltaState(1:mySize,en)
end select
end if
end select
end function plastic_deltaState
@ -453,7 +456,7 @@ function plastic_active(plastic_label) result(active_plastic)
phase => phases%get(ph)
mech => phase%get('mechanical')
pl => mech%get('plastic',defaultVal = emptyDict)
if (pl%get_asString('type',defaultVal='none') == plastic_label) active_plastic(ph) = .true.
active_plastic(ph) = pl%get_asString('type',defaultVal='none') == plastic_label
enddo
end function plastic_active