Merge branch 'development' into fix_homogenization_restart
This commit is contained in:
commit
0d0aaa0df6
|
@ -84,7 +84,7 @@ for executable in python python3; do
|
|||
done
|
||||
secondLevel "Details on $DEFAULT_PYTHON:"
|
||||
echo $(ls -la $(which $DEFAULT_PYTHON))
|
||||
for module in numpy scipy pandas;do
|
||||
for module in numpy scipy pandas matplotlib yaml h5py;do
|
||||
thirdLevel $module
|
||||
$DEFAULT_PYTHON -c "import $module; \
|
||||
print('Version: {}'.format($module.__version__)); \
|
||||
|
@ -94,10 +94,6 @@ thirdLevel vtk
|
|||
$DEFAULT_PYTHON -c "import vtk; \
|
||||
print('Version: {}'.format(vtk.vtkVersion.GetVTKVersion())); \
|
||||
print('Location: {}'.format(vtk.__file__))"
|
||||
thirdLevel h5py
|
||||
$DEFAULT_PYTHON -c "import h5py; \
|
||||
print('Version: {}'.format(h5py.version.version)); \
|
||||
print('Location: {}'.format(h5py.__file__))"
|
||||
|
||||
firstLevel "GNU Compiler Collection"
|
||||
for executable in gcc g++ gfortran ;do
|
||||
|
|
|
@ -1,8 +0,0 @@
|
|||
[SX]
|
||||
type isostrain
|
||||
Ngrains 1
|
||||
{./Homogenization_Damage_NonLocal.config}
|
||||
{./Homogenization_Thermal_Conduction.config}
|
||||
{./Homogenization_VacancyFlux_CahnHilliard.config}
|
||||
{./Homogenization_Porosity_PhaseField.config}
|
||||
{./Homogenization_HydrogenFlux_CahnHilliard.config}
|
|
@ -1,9 +1,9 @@
|
|||
# Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079
|
||||
Aluminum:
|
||||
mechanics:
|
||||
lattice: aP
|
||||
elasticity: {C_11: 110.9e9, C_12: 58.34e9, type: hooke}
|
||||
output: [F, P, Fe, Fp, Lp]
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p]
|
||||
elasticity: {type: hooke, C_11: 110.9e9, C_12: 58.34e9}
|
||||
plasticity:
|
||||
type: isotropic
|
||||
output: [xi]
|
||||
|
|
|
@ -1,9 +1,8 @@
|
|||
# Maiti and Eisenlohr 2018 Scripta Materialia
|
||||
Air:
|
||||
mechanics:
|
||||
lattice: aP
|
||||
elasticity: {C_11: 10e9, C_12: 0.0, type: hooke}
|
||||
output: [F, P, Fe, Fp, Lp]
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p]
|
||||
elasticity: {type: hooke, C_11: 1e8, C_12: 1e6}
|
||||
plasticity:
|
||||
type: isotropic
|
||||
output: [xi]
|
||||
|
@ -14,4 +13,4 @@ Air:
|
|||
M: 3
|
||||
h_0: 1e6
|
||||
a: 2
|
||||
dilatation: true
|
||||
dilatation: True
|
||||
|
|
|
@ -1,21 +0,0 @@
|
|||
[Aluminum]
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) resistance_slip
|
||||
(output) accumulatedshear_slip
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # per family
|
||||
|
||||
c11 106.75e9
|
||||
c12 60.41e9
|
||||
c44 28.34e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
h0_slipslip 75e6
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
|
@ -0,0 +1,16 @@
|
|||
Aluminum:
|
||||
lattice: cF
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p, O]
|
||||
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
||||
plasticity:
|
||||
N_sl: [12]
|
||||
a_sl: 2.25
|
||||
dot_gamma_0_sl: 0.001
|
||||
h_0_sl_sl: 75e6
|
||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||
n_sl: 20
|
||||
output: [xi_sl, gamma_sl]
|
||||
type: phenopowerlaw
|
||||
xi_0_sl: [31e6]
|
||||
xi_inf_sl: [63e6]
|
|
@ -2,8 +2,8 @@
|
|||
# Tasan et.al. 2015 International Journal of Plasticity
|
||||
# Diehl et.al. 2015 Meccanica
|
||||
Ferrite:
|
||||
mechanics:
|
||||
lattice: cI
|
||||
mechanics:
|
||||
elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
|
||||
plasticity:
|
||||
N_sl: [12, 12]
|
||||
|
|
|
@ -2,8 +2,8 @@
|
|||
# Tasan et.al. 2015 International Journal of Plasticity
|
||||
# Diehl et.al. 2015 Meccanica
|
||||
Martensite:
|
||||
mechanics:
|
||||
lattice: cI
|
||||
mechanics:
|
||||
elasticity: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke}
|
||||
plasticity:
|
||||
N_sl: [12, 12]
|
||||
|
|
|
@ -1,27 +0,0 @@
|
|||
# parameters fitted by D. Ma to:
|
||||
# I. Kovács, G. Vörös
|
||||
# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
|
||||
# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35–43
|
||||
# DOI: 10.1016/S0749-6419(95)00043-7
|
||||
|
||||
[gold_phenopowerlaw]
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) resistance_slip
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # per family
|
||||
|
||||
c11 191.0e9
|
||||
c12 162.0e9
|
||||
c44 42.20e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 83.3
|
||||
tau0_slip 26.25e6 # per family
|
||||
tausat_slip 53.00e6 # per family
|
||||
a_slip 1.0
|
||||
h0_slipslip 75e6
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
|
|
@ -0,0 +1,21 @@
|
|||
# parameters fitted by D. Ma to:
|
||||
# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
|
||||
# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
|
||||
# DOI: 10.1016/S0749-6419(95)00043-7
|
||||
|
||||
Gold:
|
||||
lattice: cF
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p, O]
|
||||
elasticity: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9}
|
||||
plasticity:
|
||||
type: phenopowerlaw
|
||||
output: [xi_sl]
|
||||
N_sl: [12]
|
||||
n_sl: 83
|
||||
dot_gamma_0_sl: 0.001
|
||||
h_0_sl_sl: 75e6
|
||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||
a_sl: 1.0
|
||||
xi_0_sl: [26e6]
|
||||
xi_inf_sl: [53e6]
|
|
@ -1,56 +0,0 @@
|
|||
#-------------------#
|
||||
<phase>
|
||||
#-------------------#
|
||||
/echo/
|
||||
[Mg]
|
||||
plasticity phenopowerlaw
|
||||
elasticity hooke
|
||||
|
||||
(output) resistance_slip
|
||||
(output) resistance_twin
|
||||
|
||||
lattice_structure hex
|
||||
c/a 1.62350 # from Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals
|
||||
c11 59.3e9 # - " -
|
||||
c33 61.5e9 # - " -
|
||||
c44 16.4e9 # - " -
|
||||
c12 25.7e9 # - " -
|
||||
c13 21.4e9 # - " -
|
||||
|
||||
# basal prism prism pyr(a) pyr(c+a) pyr(c+a)
|
||||
Nslip 3 3 0 6 0 6 # from Agnew et al 2006, Validating a polycrystal model for the elastoplastic response of mg alloy AZ32 using in situ neutron diffraction
|
||||
# T1 C1 T2 C2
|
||||
Ntwin 6 0 0 6 # - " -
|
||||
# basal prism prism pyr(a) pyr(c+a) pyr(c+a)
|
||||
tau0_slip 10.0e6 55.0e6 0 60.0e6 0.0 60.0e6 # - " - table 1, pyr(a) set to pyr(c+a)
|
||||
tausat_slip 40.0e6 135.0e6 0 150.0e6 0.0 150.0e6 # - " - table 1, pyr(a) set to pyr(c+a)
|
||||
# T1 C1 T2 C2
|
||||
tau0_twin 40e6 0.0 0.0 60.0e6 # - " - table 1, compressive twin guessed by Steffi, tensile twin modified to match experimental results
|
||||
|
||||
h0_twintwin 50.0e6 # - " - table 1, same range as theta_0
|
||||
h0_slipslip 500.0e6 # - " - table 1, same range as theta_0
|
||||
h0_twinslip 150.0e6 # guessing
|
||||
|
||||
interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # just guessing
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " -
|
||||
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " -
|
||||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 # - " -
|
||||
|
||||
|
||||
|
||||
####################################################
|
||||
# open for discussion
|
||||
####################################################
|
||||
n_twin 20
|
||||
n_slip 20
|
||||
|
||||
gdot0_twin 0.001
|
||||
gdot0_slip 0.001
|
||||
|
||||
twin_b 0
|
||||
twin_c 0
|
||||
twin_d 20
|
||||
twin_e 20
|
||||
|
||||
a_slip 2.25
|
||||
s_pr 10.0 # push-up factor for slip saturation due to twinning
|
|
@ -0,0 +1,31 @@
|
|||
# Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals
|
||||
Magnesium:
|
||||
lattice: hP
|
||||
c/a: 1.62350
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p, O]
|
||||
elasticity: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke}
|
||||
plasticity:
|
||||
N_sl: [3, 3, 0, 6, 0, 6]
|
||||
N_tw: [6, 0, 0, 6]
|
||||
h_0_tw_tw: 50.0e6
|
||||
h_0_sl_sl: 500.0e6
|
||||
h_0_tw_sl: 150.0e6
|
||||
h_sl_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
|
||||
h_tw_tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
|
||||
h_sl_tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
|
||||
h_tw_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
|
||||
output: [xi_sl, xi_tw]
|
||||
type: phenopowerlaw
|
||||
xi_0_sl: [10.0e6, 55.0e6, 0, 60.0e6, 0.0, 60.0e6]
|
||||
xi_inf_sl: [40.0e6, 135.0e6, 0, 150.0e6, 0.0, 150.0e6]
|
||||
xi_0_tw: [40e6, 0.0, 0.0, 60.0e6]
|
||||
####################################################
|
||||
# open for discussion
|
||||
####################################################
|
||||
a_sl: 2.25
|
||||
dot_gamma_0_sl: 0.001
|
||||
dot_gamma_0_tw: 0.001
|
||||
n_sl: 20
|
||||
n_tw: 20
|
||||
f_sl_sat_tw: 10.0
|
|
@ -1,23 +0,0 @@
|
|||
[cpTi-alpha]
|
||||
plasticity phenopowerlaw
|
||||
elasticity hooke
|
||||
|
||||
lattice_structure hex
|
||||
covera_ratio 1.587
|
||||
|
||||
# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
|
||||
c11 160.0e9
|
||||
c12 90.0e9
|
||||
c13 66.0e9
|
||||
c33 181.7e9
|
||||
c44 46.5e9
|
||||
# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
nslip 3 3 0 6
|
||||
tau0_slip 349.3e6 150e6 0 1107.9e6
|
||||
tausat_slip 568.6e6 1502.2e6 0 3420.1e6
|
||||
a_slip 2
|
||||
h0_slipslip 15e6
|
||||
|
||||
interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|
@ -0,0 +1,19 @@
|
|||
# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
|
||||
# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
|
||||
Ti-alpha:
|
||||
lattice: hP
|
||||
c/a: 1.587
|
||||
mechanics:
|
||||
output: [F, P, F_e, F_p, L_p, O]
|
||||
elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke}
|
||||
plasticity:
|
||||
N_sl: [3, 3, 0, 0, 12]
|
||||
a_sl: 2.0
|
||||
dot_gamma_0_sl: 0.001
|
||||
h_0_sl_sl: 200e6
|
||||
h_sl_sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
|
||||
n_sl: 20
|
||||
output: [gamma_sl]
|
||||
type: phenopowerlaw
|
||||
xi_0_sl: [349e6, 150e6, 0, 0, 1107e6]
|
||||
xi_inf_sl: [568e6, 1502e6, 0, 0, 3420e6]
|
|
@ -1,2 +0,0 @@
|
|||
[001]
|
||||
(gauss) phi1 0.000 Phi 0.000 phi2 0.000
|
|
@ -1,2 +0,0 @@
|
|||
[101]
|
||||
(gauss) phi1 0.000 Phi 45.000 phi2 90.000
|
|
@ -1,2 +0,0 @@
|
|||
[111]
|
||||
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000
|
|
@ -1,2 +0,0 @@
|
|||
[123]
|
||||
(gauss) phi1 209.805 Phi 29.206 phi2 63.435
|
|
@ -1,20 +0,0 @@
|
|||
# The material.config file needs to specify five parts:
|
||||
# homogenization, microstructure, crystallite, phase, and texture.
|
||||
# You can either put the full text in here or include suited separate files
|
||||
|
||||
<homogenization>
|
||||
{./Homogenization_Isostrain_SX.config}
|
||||
|
||||
<microstructure>
|
||||
[one_only]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
|
||||
<crystallite>
|
||||
{./Crystallite_All.config}
|
||||
|
||||
<phase>
|
||||
{./Phase_Phenopowerlaw_Aluminum.config}
|
||||
|
||||
<texture>
|
||||
{./Texture_Gauss_001.config}
|
|
@ -3,6 +3,7 @@ import numpy as np
|
|||
from . import Config
|
||||
from . import Rotation
|
||||
from . import Orientation
|
||||
from . import util
|
||||
|
||||
class ConfigMaterial(Config):
|
||||
"""Material configuration."""
|
||||
|
@ -46,7 +47,7 @@ class ConfigMaterial(Config):
|
|||
|
||||
|
||||
@staticmethod
|
||||
def from_table(table,constituents={},**kwargs):
|
||||
def from_table(table,**kwargs):
|
||||
"""
|
||||
Load from an ASCII table.
|
||||
|
||||
|
@ -54,12 +55,9 @@ class ConfigMaterial(Config):
|
|||
----------
|
||||
table : damask.Table
|
||||
Table that contains material information.
|
||||
constituents : dict, optional
|
||||
Entries for 'constituents'. The key is the name and the value specifies
|
||||
the label of the data column in the table
|
||||
**kwargs
|
||||
Keyword arguments where the key is the name and the value specifies
|
||||
the label of the data column in the table
|
||||
the label of the data column in the table.
|
||||
|
||||
Examples
|
||||
--------
|
||||
|
@ -70,7 +68,8 @@ class ConfigMaterial(Config):
|
|||
pos pos pos qu qu qu qu phase homog
|
||||
0 0 0 0 0.19 0.8 0.24 -0.51 Aluminum SX
|
||||
1 1 0 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
>>> cm.from_table(t,{'O':'qu','phase':'phase'},homogenization='homog')
|
||||
1 1 1 0 0.8 0.19 0.24 -0.51 Steel SX
|
||||
>>> cm.from_table(t,O='qu',phase='phase',homogenization='homog')
|
||||
material:
|
||||
- constituents:
|
||||
- O: [0.19, 0.8, 0.24, -0.51]
|
||||
|
@ -86,16 +85,13 @@ class ConfigMaterial(Config):
|
|||
phase: {}
|
||||
|
||||
"""
|
||||
constituents_ = {k:table.get(v) for k,v in constituents.items()}
|
||||
kwargs_ = {k:table.get(v) for k,v in kwargs.items()}
|
||||
|
||||
_,idx = np.unique(np.hstack(list({**constituents_,**kwargs_}.values())),return_index=True,axis=0)
|
||||
|
||||
_,idx = np.unique(np.hstack(list(kwargs_.values())),return_index=True,axis=0)
|
||||
idx = np.sort(idx)
|
||||
constituents_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in constituents_.items()}
|
||||
kwargs_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in kwargs_.items()}
|
||||
|
||||
return ConfigMaterial().material_add(constituents_,**kwargs_)
|
||||
return ConfigMaterial().material_add(**kwargs_)
|
||||
|
||||
|
||||
@property
|
||||
|
@ -103,7 +99,6 @@ class ConfigMaterial(Config):
|
|||
"""Check for completeness."""
|
||||
ok = True
|
||||
for top_level in ['homogenization','phase','material']:
|
||||
# ToDo: With python 3.8 as prerequisite we can shorten with :=
|
||||
ok &= top_level in self
|
||||
if top_level not in self: print(f'{top_level} entry missing')
|
||||
|
||||
|
@ -154,7 +149,7 @@ class ConfigMaterial(Config):
|
|||
|
||||
@property
|
||||
def is_valid(self):
|
||||
"""Check for valid file layout."""
|
||||
"""Check for valid content."""
|
||||
ok = True
|
||||
|
||||
if 'phase' in self:
|
||||
|
@ -163,8 +158,7 @@ class ConfigMaterial(Config):
|
|||
try:
|
||||
Orientation(lattice=v['lattice'])
|
||||
except KeyError:
|
||||
s = v['lattice']
|
||||
print(f"Invalid lattice: '{s}' in phase '{k}'")
|
||||
print(f"Invalid lattice '{v['lattice']}' in phase '{k}'")
|
||||
ok = False
|
||||
|
||||
if 'material' in self:
|
||||
|
@ -172,16 +166,15 @@ class ConfigMaterial(Config):
|
|||
if 'constituents' in m:
|
||||
v = 0.0
|
||||
for c in m['constituents']:
|
||||
v+= float(c['v'])
|
||||
v += float(c['v'])
|
||||
if 'O' in c:
|
||||
try:
|
||||
Rotation.from_quaternion(c['O'])
|
||||
except ValueError:
|
||||
o = c['O']
|
||||
print(f"Invalid orientation: '{o}' in material '{i}'")
|
||||
print(f"Invalid orientation '{c['O']}' in material '{i}'")
|
||||
ok = False
|
||||
if not np.isclose(v,1.0):
|
||||
print(f"Invalid total fraction (v) '{v}' in material '{i}'")
|
||||
print(f"Total fraction v = {v} ≠ 1 in material '{i}'")
|
||||
ok = False
|
||||
|
||||
return ok
|
||||
|
@ -200,10 +193,15 @@ class ConfigMaterial(Config):
|
|||
constituent: list of ints, optional
|
||||
Limit renaming to selected constituents.
|
||||
|
||||
Returns
|
||||
-------
|
||||
cfg : damask.ConfigMaterial
|
||||
Updated material configuration.
|
||||
|
||||
"""
|
||||
dup = self.copy()
|
||||
for i,m in enumerate(dup['material']):
|
||||
if ID and i not in ID: continue
|
||||
if ID is not None and i not in ID: continue
|
||||
for c in m['constituents']:
|
||||
if constituent is not None and c not in constituent: continue
|
||||
try:
|
||||
|
@ -224,10 +222,15 @@ class ConfigMaterial(Config):
|
|||
ID: list of ints, optional
|
||||
Limit renaming to selected homogenization IDs.
|
||||
|
||||
Returns
|
||||
-------
|
||||
cfg : damask.ConfigMaterial
|
||||
Updated material configuration.
|
||||
|
||||
"""
|
||||
dup = self.copy()
|
||||
for i,m in enumerate(dup['material']):
|
||||
if ID and i not in ID: continue
|
||||
if ID is not None and i not in ID: continue
|
||||
try:
|
||||
m['homogenization'] = mapping[m['homogenization']]
|
||||
except KeyError:
|
||||
|
@ -235,24 +238,27 @@ class ConfigMaterial(Config):
|
|||
return dup
|
||||
|
||||
|
||||
def material_add(self,constituents=None,**kwargs):
|
||||
def material_add(self,**kwargs):
|
||||
"""
|
||||
Add material entries.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
constituents : dict, optional
|
||||
Entries for 'constituents' as key-value pair.
|
||||
**kwargs
|
||||
Key-value pairs.
|
||||
|
||||
Returns
|
||||
-------
|
||||
cfg : damask.ConfigMaterial
|
||||
Updated material configuration.
|
||||
|
||||
Examples
|
||||
--------
|
||||
>>> import numpy as np
|
||||
>>> import damask
|
||||
>>> O = damask.Rotation.from_random(3).as_quaternion()
|
||||
>>> phase = ['Aluminum','Steel','Aluminum']
|
||||
>>> m = damask.ConfigMaterial().material_add(constituents={'phase':phase,'O':O},
|
||||
... homogenization='SX')
|
||||
>>> m = damask.ConfigMaterial().material_add(phase = ['Aluminum','Steel'],
|
||||
... O = damask.Rotation.from_random(2),
|
||||
... homogenization = 'SX')
|
||||
>>> m
|
||||
material:
|
||||
- constituents:
|
||||
|
@ -265,63 +271,59 @@ class ConfigMaterial(Config):
|
|||
v: 1.0
|
||||
phase: Steel
|
||||
homogenization: SX
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
|
||||
>>> m = damask.ConfigMaterial().material_add(phase = np.array(['Austenite','Martensite']).reshape(1,2),
|
||||
... O = damask.Rotation.from_random((2,2)),
|
||||
... v = np.array([0.2,0.8]).reshape(1,2),
|
||||
... homogenization = ['A','B'])
|
||||
>>> m
|
||||
material:
|
||||
- constituents:
|
||||
- O: [0.0886257, -0.144848, 0.615674, -0.769487]
|
||||
v: 1.0
|
||||
phase: Aluminum
|
||||
homogenization: SX
|
||||
- phase: Austenite
|
||||
O: [0.659802978293224, 0.6953785848195171, 0.22426295326327111, -0.17554139512785227]
|
||||
v: 0.2
|
||||
- phase: Martensite
|
||||
O: [0.49356745891301596, 0.2841806579193434, -0.7487679215072818, -0.339085707289975]
|
||||
v: 0.8
|
||||
homogenization: A
|
||||
- constituents:
|
||||
- phase: Austenite
|
||||
O: [0.26542221365204055, 0.7268854930702071, 0.4474726435701472, -0.44828201137283735]
|
||||
v: 0.2
|
||||
- phase: Martensite
|
||||
O: [0.6545817158479885, -0.08004812803625233, -0.6226561293931374, 0.4212059104577611]
|
||||
v: 0.8
|
||||
homogenization: B
|
||||
homogenization: {}
|
||||
phase: {}
|
||||
|
||||
"""
|
||||
length = -1
|
||||
for v in kwargs.values():
|
||||
if hasattr(v,'__len__') and not isinstance(v,str):
|
||||
if length != -1 and len(v) != length:
|
||||
raise ValueError('Cannot add entries of different length')
|
||||
else:
|
||||
length = len(v)
|
||||
length = max(1,length)
|
||||
|
||||
c = [{} for _ in range(length)] if constituents is None else \
|
||||
[{'constituents':u} for u in ConfigMaterial._constituents(**constituents)]
|
||||
|
||||
if len(c) == 1: c = [c[0] for _ in range(length)]
|
||||
|
||||
if length != 1 and length != len(c):
|
||||
raise ValueError('Cannot add entries of different length')
|
||||
N,n,shaped = 1,1,{}
|
||||
|
||||
for k,v in kwargs.items():
|
||||
if hasattr(v,'__len__') and not isinstance(v,str):
|
||||
for i,vv in enumerate(v):
|
||||
c[i][k] = vv.item() if isinstance(vv,np.generic) else vv
|
||||
shaped[k] = np.array(v)
|
||||
s = shaped[k].shape[:-1] if k=='O' else shaped[k].shape
|
||||
N = max(N,s[0]) if len(s)>0 else N
|
||||
n = max(n,s[1]) if len(s)>1 else n
|
||||
|
||||
mat = [{'constituents':[{} for _ in range(n)]} for _ in range(N)]
|
||||
|
||||
if 'v' not in kwargs:
|
||||
shaped['v'] = np.broadcast_to(1/n,(N,n))
|
||||
|
||||
for k,v in shaped.items():
|
||||
target = (N,n,4) if k=='O' else (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']:
|
||||
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:
|
||||
for i in range(len(c)):
|
||||
c[i][k] = v
|
||||
mat[i][k] = obj[i,0].item() if isinstance(obj[i,0],np.generic) else obj[i,0]
|
||||
|
||||
dup = self.copy()
|
||||
dup['material'] = dup['material'] + c if 'material' in dup else c
|
||||
dup['material'] = dup['material'] + mat if 'material' in dup else mat
|
||||
|
||||
return dup
|
||||
|
||||
|
||||
@staticmethod
|
||||
def _constituents(N=1,**kwargs):
|
||||
"""Construct list of constituents."""
|
||||
N_material=1
|
||||
for v in kwargs.values():
|
||||
if hasattr(v,'__len__') and not isinstance(v,str): N_material = len(v)
|
||||
|
||||
if N == 1:
|
||||
m = [[{'v':1.0}] for _ in range(N_material)]
|
||||
for k,v in kwargs.items():
|
||||
if hasattr(v,'__len__') and not isinstance(v,str):
|
||||
if len(v) != N_material:
|
||||
raise ValueError('Cannot add entries of different length')
|
||||
for i,vv in enumerate(np.array(v)):
|
||||
m[i][0][k] = vv.item() if isinstance(vv,np.generic) else vv
|
||||
else:
|
||||
for i in range(N_material):
|
||||
m[i][0][k] = v
|
||||
return m
|
||||
else:
|
||||
raise NotImplementedError
|
||||
|
|
|
@ -122,7 +122,7 @@ class Grid:
|
|||
|
||||
@size.setter
|
||||
def size(self,size):
|
||||
if len(size) != 3 or any(np.array(size) <= 0):
|
||||
if len(size) != 3 or any(np.array(size) < 0):
|
||||
raise ValueError(f'invalid size {size}')
|
||||
else:
|
||||
self._size = np.array(size)
|
||||
|
@ -202,7 +202,7 @@ class Grid:
|
|||
Geometry file to read.
|
||||
|
||||
"""
|
||||
warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning)
|
||||
warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning,2)
|
||||
try:
|
||||
f = open(fname)
|
||||
except TypeError:
|
||||
|
@ -303,7 +303,7 @@ class Grid:
|
|||
Need to be ordered (1./x fast, 3./z slow).
|
||||
labels : str or list of str
|
||||
Label(s) of the columns containing the material definition.
|
||||
Each unique combintation of values results in one material ID.
|
||||
Each unique combination of values results in one material ID.
|
||||
|
||||
"""
|
||||
cells,size,origin = grid_filters.cellsSizeOrigin_coordinates0_point(table.get(coordinates))
|
||||
|
@ -541,7 +541,7 @@ class Grid:
|
|||
Compress geometry with 'x of y' and 'a to b'.
|
||||
|
||||
"""
|
||||
warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning)
|
||||
warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning,2)
|
||||
header = [f'{len(self.comments)+4} header'] + self.comments \
|
||||
+ ['grid a {} b {} c {}'.format(*self.cells),
|
||||
'size x {} y {} z {}'.format(*self.size),
|
||||
|
@ -760,7 +760,7 @@ class Grid:
|
|||
|
||||
"""
|
||||
if fill is None: fill = np.nanmax(self.material) + 1
|
||||
dtype = float if np.isnan(fill) or int(fill) != fill or self.material.dtype==np.float else int
|
||||
dtype = float if isinstance(fill,float) or self.material.dtype in np.sctypes['float'] else int
|
||||
|
||||
material = self.material
|
||||
# These rotations are always applied in the reference coordinate system, i.e. (z,x,z) not (z,x',z'')
|
||||
|
|
|
@ -125,9 +125,18 @@ class Rotation:
|
|||
return np.logical_not(self==other)
|
||||
|
||||
|
||||
def __array__(self):
|
||||
"""Initializer for numpy."""
|
||||
return self.quaternion
|
||||
|
||||
|
||||
@property
|
||||
def size(self):
|
||||
return self.quaternion[...,0].size
|
||||
|
||||
@property
|
||||
def shape(self):
|
||||
return self.quaternion.shape[:-1]
|
||||
return self.quaternion[...,0].shape
|
||||
|
||||
|
||||
def __len__(self):
|
||||
|
|
|
@ -246,8 +246,8 @@ class VTK:
|
|||
raise ValueError('No label defined for numpy.ndarray')
|
||||
|
||||
N_data = data.shape[0]
|
||||
d = np_to_vtk((data.astype(np.float32) if data.dtype in [np.float64, np.float128]
|
||||
else data).reshape(N_data,-1),deep=True) # avoid large files
|
||||
d = np_to_vtk((data.astype(np.single) if data.dtype in [np.double, np.longdouble] else
|
||||
data).reshape(N_data,-1),deep=True) # avoid large files
|
||||
d.SetName(label)
|
||||
|
||||
if N_data == N_points:
|
||||
|
|
|
@ -183,7 +183,7 @@ def scale_to_coprime(v):
|
|||
# Python 3.9 provides math.lcm, see https://stackoverflow.com/questions/51716916.
|
||||
return a * b // np.gcd(a, b)
|
||||
|
||||
m = (np.array(v) * reduce(lcm, map(lambda x: int(get_square_denominator(x)),v)) ** 0.5).astype(np.int)
|
||||
m = (np.array(v) * reduce(lcm, map(lambda x: int(get_square_denominator(x)),v)) ** 0.5).astype(int)
|
||||
m = m//reduce(np.gcd,m)
|
||||
|
||||
with np.errstate(invalid='ignore'):
|
||||
|
|
|
@ -6,28 +6,29 @@ with open(Path(__file__).parent/'damask/VERSION') as f:
|
|||
version = re.sub(r'(-([^-]*)).*$',r'.\2',re.sub(r'^v(\d+\.\d+(\.\d+)?)',r'\1',f.readline().strip()))
|
||||
|
||||
setuptools.setup(
|
||||
name="damask",
|
||||
name='damask',
|
||||
version=version,
|
||||
author="The DAMASK team",
|
||||
author_email="damask@mpie.de",
|
||||
description="DAMASK library",
|
||||
long_description="Python library for pre and post processing of DAMASK simulations",
|
||||
url="https://damask.mpie.de",
|
||||
author='The DAMASK team',
|
||||
author_email='damask@mpie.de',
|
||||
description='DAMASK library',
|
||||
long_description='Python library for pre and post processing of DAMASK simulations',
|
||||
url='https://damask.mpie.de',
|
||||
packages=setuptools.find_packages(),
|
||||
include_package_data=True,
|
||||
python_requires = '>=3.6',
|
||||
install_requires = [
|
||||
"pandas", # requires numpy
|
||||
"scipy",
|
||||
"h5py", # requires numpy
|
||||
"vtk",
|
||||
"matplotlib", # requires numpy, pillow
|
||||
"pyaml"
|
||||
'pandas>=0.24', # requires numpy
|
||||
'scipy>=1.2',
|
||||
'h5py>=2.9', # requires numpy
|
||||
'vtk>=8.1',
|
||||
'matplotlib>=3.0', # requires numpy, pillow
|
||||
'pyaml>=3.12'
|
||||
],
|
||||
classifiers = [
|
||||
"Intended Audience :: Science/Research",
|
||||
"Topic :: Scientific/Engineering",
|
||||
"Programming Language :: Python :: 3",
|
||||
"License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
|
||||
"Operating System :: OS Independent",
|
||||
'Intended Audience :: Science/Research',
|
||||
'Topic :: Scientific/Engineering',
|
||||
'Programming Language :: Python :: 3',
|
||||
'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)',
|
||||
'Operating System :: OS Independent',
|
||||
],
|
||||
)
|
||||
|
|
|
@ -5,6 +5,7 @@ import numpy as np
|
|||
|
||||
from damask import ConfigMaterial
|
||||
from damask import Table
|
||||
from damask import Rotation
|
||||
|
||||
@pytest.fixture
|
||||
def ref_path(ref_path_base):
|
||||
|
@ -85,42 +86,25 @@ class TestConfigMaterial:
|
|||
|
||||
def test_from_table(self):
|
||||
N = np.random.randint(3,10)
|
||||
a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),np.ones(N*2),np.zeros(N*2),np.ones(N*2))).T
|
||||
t = Table(a,{'varying':2,'constant':2})
|
||||
c = ConfigMaterial.from_table(t,constituents={'a':'varying','b':'1_constant'},c='2_constant')
|
||||
a = np.vstack((np.hstack((np.arange(N),np.arange(N)[::-1])),np.ones(N*2),np.zeros(N*2),np.ones(N*2),np.ones(N*2))).T
|
||||
t = Table(a,{'varying':1,'constant':4})
|
||||
c = ConfigMaterial.from_table(t,**{'phase':'varying','O':'constant','homogenization':'4_constant'})
|
||||
assert len(c['material']) == N
|
||||
for i,m in enumerate(c['material']):
|
||||
c = m['constituents'][0]
|
||||
assert m['c'] == 1 and c['b'] == 0 and (c['a'] == [i,1]).all()
|
||||
assert m['homogenization'] == 1 and (m['constituents'][0]['O'] == [1,0,1,1]).all()
|
||||
|
||||
def test_constituents(self):
|
||||
c = ConfigMaterial._constituents(c=1,v=[2,3])
|
||||
assert c[0][0]['c'] == c[1][0]['c'] == 1
|
||||
assert c[0][0]['v'] == c[1][0]['v'] -1 ==2
|
||||
|
||||
@pytest.mark.parametrize('constituents',[{'W':1,'X':[2,3]},{'Y':4},{'Z':[5,6]}])
|
||||
@pytest.mark.parametrize('a',[[7.,8.],9.])
|
||||
@pytest.mark.parametrize('b',['bd',['efg','hi']])
|
||||
def test_material_add(self,tmp_path,constituents,a,b):
|
||||
len_c = len(ConfigMaterial()._constituents(1,**constituents))
|
||||
len_a = len(a) if isinstance(a,list) else 1
|
||||
len_b = len(b) if isinstance(b,list) else 1
|
||||
m = ConfigMaterial().material_add(constituents,a=a,b=b)
|
||||
m.save()
|
||||
assert len(m['material']) == np.max([len_a,len_b,len_c])
|
||||
|
||||
@pytest.mark.parametrize('constituents',[{'W':1,'X':np.array([2,3])},{'Y':4},{'Z':np.array([5,6])}])
|
||||
@pytest.mark.parametrize('a',[np.array([7,8]),9])
|
||||
def test_material_add_np(self,tmp_path,constituents,a):
|
||||
len_c = len(ConfigMaterial()._constituents(1,**constituents))
|
||||
len_a = len(a) if isinstance(a,np.ndarray) else 1
|
||||
m = ConfigMaterial().material_add(constituents,ld=a)
|
||||
m.save()
|
||||
assert len(m['material']) == np.max([len_a,len_c])
|
||||
|
||||
@pytest.mark.parametrize('constituents',[{'X':np.array([2,3,4,5])},{'Y':4}])
|
||||
@pytest.mark.parametrize('a',[np.array([1,2,3]),[4,5,6]])
|
||||
@pytest.mark.parametrize('b',[np.array([6.,7.]),[8.,9.]])
|
||||
def test_material_add_invalid(self,constituents,a,b):
|
||||
with pytest.raises(ValueError):
|
||||
ConfigMaterial().material_add(constituents,a=a,u=b)
|
||||
@pytest.mark.parametrize('N,n,kw',[
|
||||
(1,1,{'phase':'Gold',
|
||||
'O':[1,0,0,0],
|
||||
'homogenization':'SX'}),
|
||||
(3,1,{'phase':'Gold',
|
||||
'O':Rotation.from_random(3),
|
||||
'homogenization':'SX'}),
|
||||
(2,3,{'phase':np.broadcast_to(['a','b','c'],(2,3)),
|
||||
'O':Rotation.from_random((2,3)),
|
||||
'homogenization':['SX','PX']}),
|
||||
])
|
||||
def test_material_add(self,kw,N,n):
|
||||
m = ConfigMaterial().material_add(**kw)
|
||||
assert len(m['material']) == N
|
||||
assert len(m['material'][0]['constituents']) == n
|
||||
|
|
|
@ -347,7 +347,7 @@ class TestGrid:
|
|||
@pytest.mark.parametrize('approach',['Laguerre','Voronoi'])
|
||||
def test_tessellate_bicrystal(self,approach):
|
||||
cells = np.random.randint(5,10,3)*2
|
||||
size = cells.astype(np.float)
|
||||
size = cells.astype(float)
|
||||
seeds = np.vstack((size*np.array([0.5,0.25,0.5]),size*np.array([0.5,0.75,0.5])))
|
||||
material = np.zeros(cells)
|
||||
material[:,cells[1]//2:,:] = 1
|
||||
|
|
|
@ -689,6 +689,10 @@ class TestRotation:
|
|||
with pytest.raises(TypeError):
|
||||
Rotation(np.ones(3))
|
||||
|
||||
def test_to_numpy(self):
|
||||
r = Rotation.from_random(np.random.randint(0,10,4))
|
||||
assert np.all(r.as_quaternion() == np.array(r))
|
||||
|
||||
@pytest.mark.parametrize('degrees',[True,False])
|
||||
def test_Eulers(self,set_of_rotations,degrees):
|
||||
for rot in set_of_rotations:
|
||||
|
@ -804,7 +808,11 @@ class TestRotation:
|
|||
r = Rotation.from_random()
|
||||
assert r == ~~r
|
||||
|
||||
@pytest.mark.parametrize('shape',[None,1,(1,),(4,2),(1,1,1)])
|
||||
@pytest.mark.parametrize('shape',[1,(1,),(4,2),(1,1,1),tuple(np.random.randint(0,10,4))])
|
||||
def test_size(self,shape):
|
||||
assert Rotation.from_random(shape).size == np.prod(shape)
|
||||
|
||||
@pytest.mark.parametrize('shape',[None,1,(1,),(4,2),(1,1,1),tuple(np.random.randint(0,10,4))])
|
||||
def test_shape(self,shape):
|
||||
r = Rotation.from_random(shape=shape)
|
||||
assert r.shape == (shape if isinstance(shape,tuple) else (shape,) if shape else ())
|
||||
|
|
|
@ -75,7 +75,6 @@ end subroutine CPFEM_initAll
|
|||
subroutine CPFEM_init
|
||||
|
||||
integer(HID_T) :: fileHandle
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
|
||||
|
@ -83,8 +82,8 @@ subroutine CPFEM_init
|
|||
|
||||
if (interface_restartInc > 0) then
|
||||
print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT)
|
||||
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
|
||||
|
||||
call homogenization_restartRead(fileHandle)
|
||||
call phase_restartRead(fileHandle)
|
||||
|
@ -101,13 +100,11 @@ end subroutine CPFEM_init
|
|||
subroutine CPFEM_restartWrite
|
||||
|
||||
integer(HID_T) :: fileHandle
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
print*, ' writing field and constitutive data required for restart to file';flush(IO_STDOUT)
|
||||
|
||||
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'a')
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','a')
|
||||
|
||||
call homogenization_restartWrite(fileHandle)
|
||||
call phase_restartWrite(fileHandle)
|
||||
|
|
|
@ -71,6 +71,12 @@ module HDF5_utilities
|
|||
module procedure HDF5_addAttribute_real_array
|
||||
end interface HDF5_addAttribute
|
||||
|
||||
#ifdef PETSc
|
||||
logical, parameter, private :: parallel_default = .true.
|
||||
#else
|
||||
logical, parameter, private :: parallel_default = .false.
|
||||
#endif
|
||||
|
||||
contains
|
||||
|
||||
|
||||
|
@ -105,16 +111,16 @@ end subroutine HDF5_utilities_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief open and initializes HDF5 output file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(HID_T) function HDF5_openFile(fileName,mode,parallel)
|
||||
integer(HID_T) function HDF5_openFile(fileName,mode)
|
||||
|
||||
character(len=*), intent(in) :: fileName
|
||||
character, intent(in), optional :: mode
|
||||
logical, intent(in), optional :: parallel
|
||||
|
||||
character :: m
|
||||
integer(HID_T) :: plist_id
|
||||
integer :: hdferr
|
||||
|
||||
|
||||
if (present(mode)) then
|
||||
m = mode
|
||||
else
|
||||
|
@ -125,10 +131,8 @@ integer(HID_T) function HDF5_openFile(fileName,mode,parallel)
|
|||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
#ifdef PETSc
|
||||
if (present(parallel)) then; if (parallel) then
|
||||
call h5pset_fapl_mpio_f(plist_id, PETSC_COMM_WORLD, MPI_INFO_NULL, hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
endif; endif
|
||||
#endif
|
||||
|
||||
if (m == 'w') then
|
||||
|
@ -547,7 +551,7 @@ subroutine HDF5_read_real1(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -587,7 +591,7 @@ subroutine HDF5_read_real2(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -627,7 +631,7 @@ subroutine HDF5_read_real3(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -667,7 +671,7 @@ subroutine HDF5_read_real4(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -707,7 +711,7 @@ subroutine HDF5_read_real5(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -747,7 +751,7 @@ subroutine HDF5_read_real6(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -787,7 +791,7 @@ subroutine HDF5_read_real7(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_DOUBLE,dataset,totalShape, hdferr,&
|
||||
|
@ -829,7 +833,7 @@ subroutine HDF5_read_int1(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -869,7 +873,7 @@ subroutine HDF5_read_int2(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -909,7 +913,7 @@ subroutine HDF5_read_int3(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -949,7 +953,7 @@ subroutine HDF5_read_int4(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -989,7 +993,7 @@ subroutine HDF5_read_int5(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -1029,7 +1033,7 @@ subroutine HDF5_read_int6(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -1069,7 +1073,7 @@ subroutine HDF5_read_int7(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,parallel)
|
||||
else
|
||||
call initialize_read(dset_id, filespace_id, memspace_id, plist_id, aplist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,parallel_default)
|
||||
endif
|
||||
|
||||
call h5dread_f(dset_id, H5T_NATIVE_INTEGER,dataset,totalShape, hdferr,&
|
||||
|
@ -1109,7 +1113,7 @@ subroutine HDF5_write_real1(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape,loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape,loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape,loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1150,7 +1154,7 @@ subroutine HDF5_write_real2(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1191,7 +1195,7 @@ subroutine HDF5_write_real3(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1232,7 +1236,7 @@ subroutine HDF5_write_real4(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1274,7 +1278,7 @@ subroutine HDF5_write_real5(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1315,7 +1319,7 @@ subroutine HDF5_write_real6(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1356,7 +1360,7 @@ subroutine HDF5_write_real7(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1398,7 +1402,7 @@ subroutine HDF5_write_int1(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1439,7 +1443,7 @@ subroutine HDF5_write_int2(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1480,7 +1484,7 @@ subroutine HDF5_write_int3(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1521,7 +1525,7 @@ subroutine HDF5_write_int4(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1562,7 +1566,7 @@ subroutine HDF5_write_int5(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1603,7 +1607,7 @@ subroutine HDF5_write_int6(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
@ -1644,7 +1648,7 @@ subroutine HDF5_write_int7(loc_id,dataset,datasetName,parallel)
|
|||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
|
||||
else
|
||||
call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,.false.)
|
||||
myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
|
||||
endif
|
||||
|
||||
if (product(totalShape) /= 0) then
|
||||
|
|
|
@ -225,8 +225,8 @@ program DAMASK_grid
|
|||
loadCases(l)%t = step_discretization%get_asFloat('t')
|
||||
loadCases(l)%N = step_discretization%get_asInt ('N')
|
||||
loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
|
||||
loadCases(l)%f_restart = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
|
||||
|
||||
loadCases(l)%f_restart = load_step%get_asInt('f_restart', defaultVal=huge(0))
|
||||
loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1)
|
||||
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. &
|
||||
merge(.true.,.false.,l > 1))
|
||||
|
|
|
@ -68,8 +68,11 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
|
||||
|
||||
if(worldrank == 0) call readVTR(grid,geomSize,origin,materialAt_global)
|
||||
|
||||
if(worldrank == 0) then
|
||||
call readVTR(grid,geomSize,origin,materialAt_global)
|
||||
else
|
||||
allocate(materialAt_global(0)) ! needed for IntelMPI
|
||||
endif
|
||||
|
||||
call MPI_Bcast(grid,3,MPI_INTEGER,0,PETSC_COMM_WORLD, ierr)
|
||||
if (ierr /= 0) error stop 'MPI error'
|
||||
|
|
|
@ -108,8 +108,6 @@ subroutine grid_mechanical_FEM_init
|
|||
u_current,u_lastInc
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
character(len=pStringLen) :: &
|
||||
fileName
|
||||
class(tNode), pointer :: &
|
||||
num_grid, &
|
||||
debug_grid
|
||||
|
@ -234,8 +232,7 @@ subroutine grid_mechanical_FEM_init
|
|||
restartRead: if (interface_restartInc > 0) then
|
||||
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_read(groupHandle,P_aim, 'P_aim')
|
||||
|
@ -422,7 +419,7 @@ subroutine grid_mechanical_FEM_restartWrite
|
|||
PetscErrorCode :: ierr
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
|
||||
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
@ -431,8 +428,7 @@ subroutine grid_mechanical_FEM_restartWrite
|
|||
|
||||
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_write(groupHandle,P_aim, 'P_aim')
|
||||
|
|
|
@ -99,8 +99,6 @@ subroutine grid_mechanical_spectral_basic_init
|
|||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
integer :: fileUnit
|
||||
character(len=pStringLen) :: &
|
||||
fileName
|
||||
class (tNode), pointer :: &
|
||||
num_grid, &
|
||||
debug_grid
|
||||
|
@ -182,8 +180,7 @@ subroutine grid_mechanical_spectral_basic_init
|
|||
restartRead: if (interface_restartInc > 0) then
|
||||
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_read(groupHandle,P_aim, 'P_aim')
|
||||
|
@ -365,14 +362,12 @@ subroutine grid_mechanical_spectral_basic_restartWrite
|
|||
PetscErrorCode :: ierr
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: F
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_write(groupHandle,P_aim, 'P_aim')
|
||||
|
|
|
@ -112,8 +112,6 @@ subroutine grid_mechanical_spectral_polarisation_init
|
|||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
integer :: fileUnit
|
||||
character(len=pStringLen) :: &
|
||||
fileName
|
||||
class (tNode), pointer :: &
|
||||
num_grid, &
|
||||
debug_grid
|
||||
|
@ -204,8 +202,7 @@ subroutine grid_mechanical_spectral_polarisation_init
|
|||
restartRead: if (interface_restartInc > 0) then
|
||||
print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
|
||||
groupHandle = HDF5_openGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_read(groupHandle,P_aim, 'P_aim')
|
||||
|
@ -419,7 +416,6 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
|
|||
PetscErrorCode :: ierr
|
||||
integer(HID_T) :: fileHandle, groupHandle
|
||||
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
|
||||
character(len=pStringLen) :: fileName
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
|
||||
F => FandF_tau(0: 8,:,:,:)
|
||||
|
@ -427,8 +423,7 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
|
|||
|
||||
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
|
||||
|
||||
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'w')
|
||||
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
|
||||
groupHandle = HDF5_addGroup(fileHandle,'solver')
|
||||
|
||||
call HDF5_write(groupHandle,F_aim, 'P_aim')
|
||||
|
|
|
@ -65,7 +65,7 @@ subroutine results_init(restart)
|
|||
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL
|
||||
|
||||
if(.not. restart) then
|
||||
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
|
||||
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
|
||||
call results_addAttribute('DADF5_version_major',0)
|
||||
call results_addAttribute('DADF5_version_minor',11)
|
||||
call results_addAttribute('DAMASK_version',DAMASKVERSION)
|
||||
|
@ -83,7 +83,7 @@ end subroutine results_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_openJobFile
|
||||
|
||||
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
|
||||
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','a')
|
||||
|
||||
end subroutine results_openJobFile
|
||||
|
||||
|
@ -289,11 +289,7 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
|
|||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
||||
#endif
|
||||
call HDF5_write(groupHandle,dataset,label)
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
||||
|
@ -320,11 +316,7 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
|
|||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
||||
#endif
|
||||
call HDF5_write(groupHandle,dataset,label)
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
||||
|
@ -362,7 +354,7 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
|
|||
endif
|
||||
|
||||
if(transposed_) then
|
||||
if(size(dataset,1) /= size(dataset,2)) call IO_error(0,ext_msg='transpose non-symmetric tensor')
|
||||
if(size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor'
|
||||
allocate(dataset_transposed,mold=dataset)
|
||||
do i=1,size(dataset_transposed,3)
|
||||
dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
|
||||
|
@ -373,11 +365,7 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
|
|||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset_transposed,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset_transposed,label,.false.)
|
||||
#endif
|
||||
call HDF5_write(groupHandle,dataset_transposed,label)
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
||||
|
@ -405,11 +393,7 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
|
|||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
||||
#endif
|
||||
call HDF5_write(groupHandle,dataset,label)
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
||||
|
@ -437,11 +421,7 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
|
|||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
||||
#endif
|
||||
call HDF5_write(groupHandle,dataset,label)
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
||||
|
@ -577,7 +557,7 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write the components of the compound type individually
|
||||
call h5pset_preserve_f(plist_id, .TRUE., hdferr)
|
||||
call h5pset_preserve_f(plist_id, .true., hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
loc_id = results_openGroup('/mapping')
|
||||
|
@ -733,7 +713,8 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write the components of the compound type individually
|
||||
call h5pset_preserve_f(plist_id, .TRUE., hdferr)
|
||||
call h5pset_preserve_f(plist_id, .true., hdferr)
|
||||
if(hdferr < 0) error stop 'HDF5 error'
|
||||
|
||||
loc_id = results_openGroup('/mapping')
|
||||
call h5dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr)
|
||||
|
|
Loading…
Reference in New Issue