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DAMASK_EICMD
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Merge branch 'misc-improvements' into development

This commit is contained in:
f.basile 2020-05-16 12:59:44 +02:00
parent 45e608e71b 4340d30f05
commit a38aca9351
25 changed files with 303 additions and 184 deletions
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4
CMakeLists.txt
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@ -108,9 +108,9 @@ if (DAMASK_SOLVER STREQUAL "grid")
project (damask-grid Fortran C) project (damask-grid Fortran C)
add_definitions (-DGrid) add_definitions (-DGrid)
message ("Building Grid Solver\n") message ("Building Grid Solver\n")
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh") elseif (DAMASK_SOLVER STREQUAL "mesh")
project (damask-mesh Fortran C) project (damask-mesh Fortran C)
add_definitions (-DFEM) add_definitions (-DMesh)
message ("Building Mesh Solver\n") message ("Building Mesh Solver\n")
else () else ()
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined") message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")

6
Makefile
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@ -2,19 +2,23 @@ SHELL = /bin/sh
######################################################################################## ########################################################################################
# Makefile for the installation of DAMASK # Makefile for the installation of DAMASK
######################################################################################## ########################################################################################
DAMASK_ROOT = $(shell python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser('$(pwd)'))))") DAMASK_ROOT = $(shell python3 -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser('$(pwd)'))))")
.PHONY: all .PHONY: all
all: grid mesh processing all: grid mesh processing
.PHONY: grid .PHONY: grid
grid: build/grid grid: build/grid
@(cd build/grid;make -j${DAMASK_NUM_THREADS} all install;) @(cd build/grid;make -j${DAMASK_NUM_THREADS} all install;)
@rm -f ${DAMASK_ROOT}/bin/DAMASK_spectral > /dev/null || true
@ln -s ${DAMASK_ROOT}/bin/DAMASK_grid ${DAMASK_ROOT}/bin/DAMASK_spectral || true
.PHONY: spectral .PHONY: spectral
spectral: grid spectral: grid
.PHONY: mesh .PHONY: mesh
mesh: build/mesh mesh: build/mesh
@(cd build/mesh; make -j${DAMASK_NUM_THREADS} all install;) @(cd build/mesh; make -j${DAMASK_NUM_THREADS} all install;)
@rm -f ${DAMASK_ROOT}/bin/DAMASK_FEM > /dev/null || true
@ln -s ${DAMASK_ROOT}/bin/DAMASK_mesh ${DAMASK_ROOT}/bin/DAMASK_FEM || true
.PHONY: FEM .PHONY: FEM
FEM: mesh FEM: mesh

2
PRIVATE

@ -1 +1 @@
Subproject commit c595994cd8880acadf50b5dedb79156d04d35b91 Subproject commit 038af521a1ef70ed77b132c426bc1a4880db01ef

3
cmake/Compiler-GNU.cmake
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@ -25,6 +25,9 @@ set (LINKER_FLAGS "${LINKER_FLAGS},-undefined,dynamic_lookup" )
set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input") set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
# preprocessor # preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fPIC -fPIE")
# position independent code
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132") set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
# restrict line length to the standard 132 characters (lattice.f90 require more characters) # restrict line length to the standard 132 characters (lattice.f90 require more characters)

2
env/DAMASK.csh vendored
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@ -3,7 +3,7 @@
set CALLED=($_) set CALLED=($_)
set ENV_ROOT=`dirname $CALLED[2]` set ENV_ROOT=`dirname $CALLED[2]`
set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $ENV_ROOT"/../"` set DAMASK_ROOT=`python3 -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $ENV_ROOT"/../"`
source $ENV_ROOT/CONFIG source $ENV_ROOT/CONFIG

2
env/DAMASK.sh vendored
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@ -2,7 +2,7 @@
# usage: source DAMASK.sh # usage: source DAMASK.sh
function canonicalPath { function canonicalPath {
python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1 python3 -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1
} }
function blink { function blink {

2
env/DAMASK.zsh vendored
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@ -2,7 +2,7 @@
# usage: source DAMASK.zsh # usage: source DAMASK.zsh
function canonicalPath { function canonicalPath {
python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1 python3 -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1
} }
function blink { function blink {

3
examples/ConfigFiles/Homogenization_HydrogenFlux_CahnHilliard.config
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@ -1,3 +0,0 @@
hydrogenflux cahnhilliard
initialHydrogenConc 0.0
(output) hydrogenconc

104
python/damask/_result.py
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@ -2,6 +2,8 @@ import multiprocessing
import re import re
import glob import glob
import os import os
import xml.etree.ElementTree as ET
import xml.dom.minidom
from functools import partial from functools import partial
import h5py import h5py
@ -65,6 +67,10 @@ class Result:
self.materialpoints = [m.decode() for m in np.unique(f['mapping/cellResults/materialpoint']['Name'])] self.materialpoints = [m.decode() for m in np.unique(f['mapping/cellResults/materialpoint']['Name'])]
self.constituents = [c.decode() for c in np.unique(f['mapping/cellResults/constituent'] ['Name'])] self.constituents = [c.decode() for c in np.unique(f['mapping/cellResults/constituent'] ['Name'])]
# faster, but does not work with (deprecated) DADF5_postResults
#self.materialpoints = [m for m in f['inc0/materialpoint']]
#self.constituents = [c for c in f['inc0/constituent']]
self.con_physics = [] self.con_physics = []
for c in self.constituents: for c in self.constituents:
self.con_physics += f['/'.join([self.increments[0],'constituent',c])].keys() self.con_physics += f['/'.join([self.increments[0],'constituent',c])].keys()
@ -80,7 +86,7 @@ class Result:
'con_physics': self.con_physics, 'mat_physics': self.mat_physics 'con_physics': self.con_physics, 'mat_physics': self.mat_physics
} }
self.fname = fname self.fname = os.path.abspath(fname)
def __repr__(self): def __repr__(self):
@ -1035,6 +1041,102 @@ class Result:
pool.join() pool.join()
def write_XMDF(self):
"""
Write XDMF file to directly visualize data in DADF5 file.
This works only for scalar, 3-vector and 3x3-tensor data.
Selection is not taken into account.
"""
if len(self.constituents) != 1 or not self.structured:
raise NotImplementedError
xdmf=ET.Element('Xdmf')
xdmf.attrib={'Version': '2.0',
'xmlns:xi': 'http://www.w3.org/2001/XInclude'}
domain=ET.SubElement(xdmf, 'Domain')
collection = ET.SubElement(domain, 'Grid')
collection.attrib={'GridType': 'Collection',
'CollectionType': 'Temporal'}
time = ET.SubElement(collection, 'Time')
time.attrib={'TimeType': 'List'}
time_data = ET.SubElement(time, 'DataItem')
time_data.attrib={'Format': 'XML',
'NumberType': 'Float',
'Dimensions': '{}'.format(len(self.times))}
time_data.text = ' '.join(map(str,self.times))
attributes = []
data_items = []
for inc in self.increments:
grid=ET.SubElement(collection,'Grid')
grid.attrib = {'GridType': 'Uniform',
'Name': inc}
topology=ET.SubElement(grid, 'Topology')
topology.attrib={'TopologyType': '3DCoRectMesh',
'Dimensions': '{} {} {}'.format(*self.grid+1)}
geometry=ET.SubElement(grid, 'Geometry')
geometry.attrib={'GeometryType':'Origin_DxDyDz'}
origin=ET.SubElement(geometry, 'DataItem')
origin.attrib={'Format': 'XML',
'NumberType': 'Float',
'Dimensions': '3'}
origin.text="{} {} {}".format(*self.origin)
delta=ET.SubElement(geometry, 'DataItem')
delta.attrib={'Format': 'XML',
'NumberType': 'Float',
'Dimensions': '3'}
delta.text="{} {} {}".format(*(self.size/self.grid))
with h5py.File(self.fname,'r') as f:
attributes.append(ET.SubElement(grid, 'Attribute'))
attributes[-1].attrib={'Name': 'u',
'Center': 'Node',
'AttributeType': 'Vector'}
data_items.append(ET.SubElement(attributes[-1], 'DataItem'))
data_items[-1].attrib={'Format': 'HDF',
'Precision': '8',
'Dimensions': '{} {} {} 3'.format(*(self.grid+1))}
data_items[-1].text='{}:/{}/geometry/u_n'.format(os.path.split(self.fname)[1],inc)
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
for oo in getattr(self,o):
for pp in getattr(self,p):
g = '/'.join([inc,o[:-1],oo,pp])
for l in f[g]:
name = '/'.join([g,l])
shape = f[name].shape[1:]
dtype = f[name].dtype
prec = f[name].dtype.itemsize
if (shape not in [(1,), (3,), (3,3)]) or dtype != np.float64: continue
attributes.append(ET.SubElement(grid, 'Attribute'))
attributes[-1].attrib={'Name': '{}'.format(name.split('/',2)[2]),
'Center': 'Cell',
'AttributeType': 'Tensor'}
data_items.append(ET.SubElement(attributes[-1], 'DataItem'))
data_items[-1].attrib={'Format': 'HDF',
'NumberType': 'Float',
'Precision': '{}'.format(prec),
'Dimensions': '{} {} {} {}'.format(*self.grid,np.prod(shape))}
data_items[-1].text='{}:{}'.format(os.path.split(self.fname)[1],name)
with open(os.path.splitext(self.fname)[0]+'.xdmf','w') as f:
f.write(xml.dom.minidom.parseString(ET.tostring(xdmf).decode()).toprettyxml())
def to_vtk(self,labels=[],mode='cell'): def to_vtk(self,labels=[],mode='cell'):
""" """
Export to vtk cell/point data. Export to vtk cell/point data.

18
python/damask/grid_filters.py
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@ -238,12 +238,13 @@ def cell_coord0_gridSizeOrigin(coord0,ordered=True):
start = origin + delta*.5 start = origin + delta*.5
end = origin - delta*.5 + size end = origin - delta*.5 + size
if not (_np.allclose(coords[0],_np.linspace(start[0],end[0],grid[0])) and \ atol = _np.max(size)*5e-2
_np.allclose(coords[1],_np.linspace(start[1],end[1],grid[1])) and \ if not (_np.allclose(coords[0],_np.linspace(start[0],end[0],grid[0]),atol=atol) and \
_np.allclose(coords[2],_np.linspace(start[2],end[2],grid[2]))): _np.allclose(coords[1],_np.linspace(start[1],end[1],grid[1]),atol=atol) and \
_np.allclose(coords[2],_np.linspace(start[2],end[2],grid[2]),atol=atol)):
raise ValueError('Regular grid spacing violated.') raise ValueError('Regular grid spacing violated.')
if ordered and not _np.allclose(coord0.reshape(tuple(grid)+(3,),order='F'),cell_coord0(grid,size,origin)): if ordered and not _np.allclose(coord0.reshape(tuple(grid)+(3,),order='F'),cell_coord0(grid,size,origin),atol=atol):
raise ValueError('Input data is not ordered (x fast, z slow).') raise ValueError('Input data is not ordered (x fast, z slow).')
return (grid,size,origin) return (grid,size,origin)
@ -385,12 +386,13 @@ def node_coord0_gridSizeOrigin(coord0,ordered=True):
if (grid+1).prod() != len(coord0): if (grid+1).prod() != len(coord0):
raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid)) raise ValueError('Data count {} does not match grid {}.'.format(len(coord0),grid))
if not (_np.allclose(coords[0],_np.linspace(mincorner[0],maxcorner[0],grid[0]+1)) and \ atol = _np.max(size)*5e-2
_np.allclose(coords[1],_np.linspace(mincorner[1],maxcorner[1],grid[1]+1)) and \ if not (_np.allclose(coords[0],_np.linspace(mincorner[0],maxcorner[0],grid[0]+1),atol=atol) and \
_np.allclose(coords[2],_np.linspace(mincorner[2],maxcorner[2],grid[2]+1))): _np.allclose(coords[1],_np.linspace(mincorner[1],maxcorner[1],grid[1]+1),atol=atol) and \
_np.allclose(coords[2],_np.linspace(mincorner[2],maxcorner[2],grid[2]+1),atol=atol)):
raise ValueError('Regular grid spacing violated.') raise ValueError('Regular grid spacing violated.')
if ordered and not _np.allclose(coord0.reshape(tuple(grid+1)+(3,),order='F'),node_coord0(grid,size,origin)): if ordered and not _np.allclose(coord0.reshape(tuple(grid+1)+(3,),order='F'),node_coord0(grid,size,origin),atol=atol):
raise ValueError('Input data is not ordered (x fast, z slow).') raise ValueError('Input data is not ordered (x fast, z slow).')
return (grid,size,origin) return (grid,size,origin)

4
python/damask/util.py
View File

@ -112,8 +112,8 @@ def execute(cmd,
""" """
initialPath = os.getcwd() initialPath = os.getcwd()
os.chdir(wd)
myEnv = os.environ if env is None else env myEnv = os.environ if env is None else env
os.chdir(wd)
process = subprocess.Popen(shlex.split(cmd), process = subprocess.Popen(shlex.split(cmd),
stdout = subprocess.PIPE, stdout = subprocess.PIPE,
stderr = subprocess.PIPE, stderr = subprocess.PIPE,
@ -121,9 +121,9 @@ def execute(cmd,
env = myEnv) env = myEnv)
out,error = [i for i in (process.communicate() if streamIn is None out,error = [i for i in (process.communicate() if streamIn is None
else process.communicate(streamIn.read().encode('utf-8')))] else process.communicate(streamIn.read().encode('utf-8')))]
os.chdir(initialPath)
out = out.decode('utf-8').replace('\x08','') out = out.decode('utf-8').replace('\x08','')
error = error.decode('utf-8').replace('\x08','') error = error.decode('utf-8').replace('\x08','')
os.chdir(initialPath)
if process.returncode != 0: if process.returncode != 0:
raise RuntimeError('{} failed with returncode {}'.format(cmd,process.returncode)) raise RuntimeError('{} failed with returncode {}'.format(cmd,process.returncode))
return out,error return out,error

10
src/CMakeLists.txt
View File

@ -17,10 +17,10 @@ if (PROJECT_NAME STREQUAL "damask-grid")
file(GLOB grid-sources grid/*.f90) file(GLOB grid-sources grid/*.f90)
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(DAMASK_spectral ${damask-sources} ${grid-sources}) add_executable(DAMASK_grid ${damask-sources} ${grid-sources})
install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin) install (TARGETS DAMASK_grid RUNTIME DESTINATION bin)
else() else()
add_library(DAMASK_spectral OBJECT ${damask-sources} ${grid-sources}) add_library(DAMASK_grid OBJECT ${damask-sources} ${grid-sources})
exec_program (mktemp OUTPUT_VARIABLE nothing) exec_program (mktemp OUTPUT_VARIABLE nothing)
exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole) exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
install (PROGRAMS ${nothing} DESTINATION ${black_hole}) install (PROGRAMS ${nothing} DESTINATION ${black_hole})
@ -30,7 +30,7 @@ elseif (PROJECT_NAME STREQUAL "damask-mesh")
file(GLOB mesh-sources mesh/*.f90) file(GLOB mesh-sources mesh/*.f90)
add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources}) add_executable(DAMASK_mesh ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin) install (TARGETS DAMASK_mesh RUNTIME DESTINATION bin)
endif() endif()

64
src/CPFEM.f90
View File

@ -70,7 +70,7 @@ contains
!> @brief call (thread safe) all module initializations !> @brief call (thread safe) all module initializations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll(el,ip) subroutine CPFEM_initAll(el,ip)
integer(pInt), intent(in) :: el, & !< FE el number integer(pInt), intent(in) :: el, & !< FE el number
ip !< FE integration point number ip !< FE integration point number
@ -85,10 +85,10 @@ subroutine CPFEM_initAll(el,ip)
call rotations_init call rotations_init
call YAML_types_init call YAML_types_init
call HDF5_utilities_init call HDF5_utilities_init
call results_init call results_init(.false.)
call discretization_marc_init(ip, el) call discretization_marc_init(ip, el)
call lattice_init call lattice_init
call material_init call material_init(.false.)
call constitutive_init call constitutive_init
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init
@ -134,7 +134,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs
real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE) real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
real(pReal) J_inverse, & ! inverse of Jacobian real(pReal) J_inverse, & ! inverse of Jacobian
rnd rnd
real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress
@ -142,16 +142,16 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
real(pReal), dimension (3,3,3,3) :: H_sym, & real(pReal), dimension (3,3,3,3) :: H_sym, &
H, & H, &
jacobian3333 ! jacobian in Matrix notation jacobian3333 ! jacobian in Matrix notation
integer(pInt) elCP, & ! crystal plasticity element number integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n, ph, homog, mySource i, j, k, l, m, n, ph, homog, mySource
logical updateJaco ! flag indicating if Jacobian has to be updated logical updateJaco ! flag indicating if Jacobian has to be updated
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
elCP = mesh_FEM2DAMASK_elem(elFE) elCP = mesh_FEM2DAMASK_elem(elFE)
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt & if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
.and. elCP == debug_e .and. ip == debug_i) then .and. elCP == debug_e .and. ip == debug_i) then
write(6,'(/,a)') '#############################################' write(6,'(/,a)') '#############################################'
@ -166,16 +166,16 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
write(6,'(a,/)') '# --- terminallyIll --- #' write(6,'(a,/)') '# --- terminallyIll --- #'
write(6,'(a,/)') '#############################################'; flush (6) write(6,'(a,/)') '#############################################'; flush (6)
endif endif
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
CPFEM_dcsde_knownGood = CPFEM_dcsde CPFEM_dcsde_knownGood = CPFEM_dcsde
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
CPFEM_dcsde = CPFEM_dcsde_knownGood CPFEM_dcsde = CPFEM_dcsde_knownGood
!*** age results !*** age results
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
!*** collection of FEM input with returning of randomize odd stress and jacobian !*** collection of FEM input with returning of randomize odd stress and jacobian
!* If no parallel execution is required, there is no need to collect FEM input !* If no parallel execution is required, there is no need to collect FEM input
if (.not. parallelExecution) then if (.not. parallelExecution) then
@ -186,7 +186,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
end select chosenThermal1 end select chosenThermal1
materialpoint_F0(1:3,1:3,ip,elCP) = ffn materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
call random_number(rnd) call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
@ -201,11 +201,11 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
CPFEM_calc_done = .false. CPFEM_calc_done = .false.
endif endif
!*** calculation of stress and jacobian !*** calculation of stress and jacobian
if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then
!*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one !*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one
validCalculation: if (terminallyIll & validCalculation: if (terminallyIll &
.or. outdatedFFN1 & .or. outdatedFFN1 &
@ -223,7 +223,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
!*** deformation gradient is not outdated !*** deformation gradient is not outdated
else validCalculation else validCalculation
updateJaco = mod(cycleCounter,iJacoStiffness) == 0 updateJaco = mod(cycleCounter,iJacoStiffness) == 0
@ -234,7 +234,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip
call materialpoint_stressAndItsTangent(updateJaco, dt) call materialpoint_stressAndItsTangent(updateJaco, dt)
!* parallel computation and calulation not yet done !* parallel computation and calulation not yet done
elseif (.not. CPFEM_calc_done) then elseif (.not. CPFEM_calc_done) then
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
@ -243,22 +243,22 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
call materialpoint_stressAndItsTangent(updateJaco, dt) call materialpoint_stressAndItsTangent(updateJaco, dt)
CPFEM_calc_done = .true. CPFEM_calc_done = .true.
endif endif
!* map stress and stiffness (or return odd values if terminally ill) !* map stress and stiffness (or return odd values if terminally ill)
terminalIllness: if (terminallyIll) then terminalIllness: if (terminallyIll) then
call random_number(rnd) call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
else terminalIllness else terminalIllness
! translate from P to CS ! translate from P to CS
Kirchhoff = matmul(materialpoint_P(1:3,1:3,ip,elCP), transpose(materialpoint_F(1:3,1:3,ip,elCP))) Kirchhoff = matmul(materialpoint_P(1:3,1:3,ip,elCP), transpose(materialpoint_F(1:3,1:3,ip,elCP)))
J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP)) J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP))
CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.) CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
! translate from dP/dF to dCS/dE ! translate from dP/dF to dCS/dE
H = 0.0_pReal H = 0.0_pReal
do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3 do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
@ -269,15 +269,15 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) & + 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k)) + Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
enddo; enddo; enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo; enddo; enddo
forall(i=1:3, j=1:3,k=1:3,l=1:3) & forall(i=1:3, j=1:3,k=1:3,l=1:3) &
H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k)) H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.) CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
endif terminalIllness endif terminalIllness
endif validCalculation endif validCalculation
!* report stress and stiffness !* report stress and stiffness
if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
.and. ((debug_e == elCP .and. debug_i == ip) & .and. ((debug_e == elCP .and. debug_i == ip) &
@ -288,17 +288,17 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal '<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
flush(6) flush(6)
endif endif
endif endif
!*** warn if stiffness close to zero !*** warn if stiffness close to zero
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip) if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
!*** copy to output if using commercial FEM solver !*** copy to output if using commercial FEM solver
cauchyStress = CPFEM_cs (1:6, ip,elCP) cauchyStress = CPFEM_cs (1:6, ip,elCP)
jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP) jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
!*** remember extreme values of stress ... !*** remember extreme values of stress ...
cauchyStress33 = math_6toSym33(CPFEM_cs(1:6,ip,elCP),weighted=.false.) cauchyStress33 = math_6toSym33(CPFEM_cs(1:6,ip,elCP),weighted=.false.)
if (maxval(cauchyStress33) > debug_stressMax) then if (maxval(cauchyStress33) > debug_stressMax) then

14
src/CPFEM2.f90
View File

@ -22,7 +22,7 @@ module CPFEM2
use homogenization use homogenization
use constitutive use constitutive
use crystallite use crystallite
#if defined(FEM) #if defined(Mesh)
use FEM_quadrature use FEM_quadrature
use discretization_mesh use discretization_mesh
#elif defined(Grid) #elif defined(Grid)
@ -43,7 +43,7 @@ subroutine CPFEM_initAll
call DAMASK_interface_init ! Spectral and FEM interface to commandline call DAMASK_interface_init ! Spectral and FEM interface to commandline
call prec_init call prec_init
call IO_init call IO_init
#ifdef FEM #ifdef Mesh
call FEM_quadrature_init call FEM_quadrature_init
#endif #endif
call numerics_init call numerics_init
@ -54,13 +54,13 @@ subroutine CPFEM_initAll
call YAML_types_init call YAML_types_init
call lattice_init call lattice_init
call HDF5_utilities_init call HDF5_utilities_init
call results_init call results_init(restart=interface_restartInc>0)
#if defined(FEM) #if defined(Mesh)
call discretization_mesh_init call discretization_mesh_init(restart=interface_restartInc>0)
#elif defined(Grid) #elif defined(Grid)
call discretization_grid_init call discretization_grid_init(restart=interface_restartInc>0)
#endif #endif
call material_init call material_init(restart=interface_restartInc>0)
call constitutive_init call constitutive_init
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init

14
src/DAMASK_interface.f90
View File

@ -206,7 +206,7 @@ subroutine DAMASK_interface_init
write(6,'(a,/)')' Valid command line switches:' write(6,'(a,/)')' Valid command line switches:'
write(6,'(a)') ' --geom (-g, --geometry)' write(6,'(a)') ' --geom (-g, --geometry)'
write(6,'(a)') ' --load (-l, --loadcase)' write(6,'(a)') ' --load (-l, --loadcase)'
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)' write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory)'
write(6,'(a)') ' --restart (-r, --rs)' write(6,'(a)') ' --restart (-r, --rs)'
write(6,'(a)') ' --help (-h)' write(6,'(a)') ' --help (-h)'
write(6,'(/,a)')' -----------------------------------------------------------------------' write(6,'(/,a)')' -----------------------------------------------------------------------'
@ -223,12 +223,12 @@ subroutine DAMASK_interface_init
write(6,'(a)') ' directory.' write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"' write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "debug.config" in that directory.' write(6,'(a)')' and "debug.config" in that directory.'
write(6,'(/,a)')' --restart XX' write(6,'(/,a)')' --restart N'
write(6,'(a)') ' Reads in increment XX and continues with calculating' write(6,'(a)') ' Reads in increment N and continues with calculating'
write(6,'(a)') ' increment XX+1 based on this.' write(6,'(a)') ' increment N+1 based on this.'
write(6,'(a)') ' Appends to existing results file' write(6,'(a)') ' Appends to existing results file'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile".' write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.hdf5".'
write(6,'(a)') ' Works only if the restart information for increment XX' write(6,'(a)') ' Works only if the restart information for increment N'
write(6,'(a)') ' is available in the working directory.' write(6,'(a)') ' is available in the working directory.'
write(6,'(/,a)')' -----------------------------------------------------------------------' write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Help:' write(6,'(a)') ' Help:'
@ -239,7 +239,7 @@ subroutine DAMASK_interface_init
call get_command_argument(i+1,loadCaseArg) call get_command_argument(i+1,loadCaseArg)
case ('-g', '--geom', '--geometry') case ('-g', '--geom', '--geometry')
call get_command_argument(i+1,geometryArg) call get_command_argument(i+1,geometryArg)
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory') case ('-w', '--wd', '--workingdir', '--workingdirectory')
call get_command_argument(i+1,workingDirArg) call get_command_argument(i+1,workingDirArg)
case ('-r', '--rs', '--restart') case ('-r', '--rs', '--restart')
call get_command_argument(i+1,arg) call get_command_argument(i+1,arg)

2
src/HDF5_utilities.f90
View File

@ -81,7 +81,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief open libary and do sanity checks !> @brief initialize HDF5 libary and do sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine HDF5_utilities_init subroutine HDF5_utilities_init

2
src/constitutive_plastic_phenopowerlaw.f90
View File

@ -160,7 +160,7 @@ module subroutine plastic_phenopowerlaw_init
config%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(N_tw,config%getString('lattice_structure'),& prm%gamma_twin_char = lattice_characteristicShear_twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a')) config%getFloat('c/a',defaultVal=0.0_pReal))
xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(N_tw)) xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(N_tw))

4
src/grid/DAMASK_grid.f90
View File

@ -6,7 +6,7 @@
!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing !> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results !> results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
program DAMASK_spectral program DAMASK_grid
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PETScsys use PETScsys
use prec use prec
@ -495,4 +495,4 @@ program DAMASK_spectral
call quit(0) ! no complains ;) call quit(0) ! no complains ;)
end program DAMASK_spectral end program DAMASK_grid

19
src/grid/discretization_grid.f90
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@ -42,7 +42,9 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief reads the geometry file to obtain information on discretization !> @brief reads the geometry file to obtain information on discretization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_grid_init subroutine discretization_grid_init(restart)
logical, intent(in) :: restart
include 'fftw3-mpi.f03' include 'fftw3-mpi.f03'
real(pReal), dimension(3) :: & real(pReal), dimension(3) :: &
@ -100,13 +102,14 @@ subroutine discretization_grid_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! store geometry information for post processing ! store geometry information for post processing
call results_openJobFile if(.not. restart) then
call results_closeGroup(results_addGroup('geometry')) call results_openJobFile
call results_addAttribute('grid', grid, 'geometry') call results_closeGroup(results_addGroup('geometry'))
call results_addAttribute('size', geomSize,'geometry') call results_addAttribute('grid', grid, 'geometry')
call results_addAttribute('origin',origin, 'geometry') call results_addAttribute('size', geomSize,'geometry')
call results_closeJobFile call results_addAttribute('origin',origin, 'geometry')
call results_closeJobFile
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! geometry information required by the nonlocal CP model ! geometry information required by the nonlocal CP model
call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], & call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], &

1
src/lattice.f90
View File

@ -2304,7 +2304,6 @@ subroutine unitTest
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))) &
call IO_error(0) call IO_error(0)

15
src/material.f90
View File

@ -207,7 +207,9 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file !> @brief parses material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_init subroutine material_init(restart)
logical, intent(in) :: restart
integer :: i,e,m,c,h, myDebug, myPhase, myHomog, myMicro integer :: i,e,m,c,h, myDebug, myPhase, myHomog, myMicro
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -339,11 +341,12 @@ subroutine material_init
call config_deallocate('material.config/microstructure') call config_deallocate('material.config/microstructure')
call config_deallocate('material.config/texture') call config_deallocate('material.config/texture')
call results_openJobFile if (.not. restart) then
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,config_name_phase) call results_openJobFile
call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,config_name_homogenization) call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,config_name_phase)
call results_closeJobFile call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,config_name_homogenization)
call results_closeJobFile
endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! BEGIN DEPRECATED ! BEGIN DEPRECATED

4
src/mesh/DAMASK_mesh.f90
View File

@ -6,7 +6,7 @@
!> @details doing cutbacking, reporting statistics, writing !> @details doing cutbacking, reporting statistics, writing
!> results !> results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
program DAMASK_FEM program DAMASK_mesh
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PetscDM use PetscDM
use prec use prec
@ -367,4 +367,4 @@ program DAMASK_FEM
call quit(0) ! no complains ;) call quit(0) ! no complains ;)
end program DAMASK_FEM end program DAMASK_mesh

4
src/mesh/discretization_mesh.f90
View File

@ -63,7 +63,9 @@ contains
!> @brief initializes the mesh by calling all necessary private routines the mesh module !> @brief initializes the mesh by calling all necessary private routines the mesh module
!! Order and routines strongly depend on type of solver !! Order and routines strongly depend on type of solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_mesh_init subroutine discretization_mesh_init(restart)
logical, intent(in) :: restart
integer, dimension(1), parameter:: FE_geomtype = [1] !< geometry type of particular element type integer, dimension(1), parameter:: FE_geomtype = [1] !< geometry type of particular element type
integer, dimension(1) :: FE_Nips !< number of IPs in a specific type of element integer, dimension(1) :: FE_Nips !< number of IPs in a specific type of element

10
src/numerics.f90
View File

@ -63,8 +63,8 @@ module numerics
#endif #endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! FEM parameters: ! Mesh parameters:
#ifdef FEM #ifdef Mesh
integer, protected, public :: & integer, protected, public :: &
integrationOrder = 2, & !< order of quadrature rule required integrationOrder = 2, & !< order of quadrature rule required
structOrder = 2 !< order of displacement shape functions structOrder = 2 !< order of displacement shape functions
@ -200,8 +200,8 @@ subroutine numerics_init
#endif #endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! FEM parameters ! Mesh parameters
#ifdef FEM #ifdef Mesh
case ('integrationorder') case ('integrationorder')
integrationorder = IO_intValue(line,chunkPos,2) integrationorder = IO_intValue(line,chunkPos,2)
case ('structorder') case ('structorder')
@ -267,7 +267,7 @@ subroutine numerics_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! spectral parameters ! spectral parameters
#ifdef FEM #ifdef Mesh
write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder
write(6,'(a24,1x,i8)') ' structOrder: ',structOrder write(6,'(a24,1x,i8)') ' structOrder: ',structOrder
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation

174
src/results.f90
View File

@ -15,31 +15,31 @@ module results
implicit none implicit none
private private
integer(HID_T) :: resultsFile integer(HID_T) :: resultsFile
interface results_writeDataset interface results_writeDataset
module procedure results_writeTensorDataset_real module procedure results_writeTensorDataset_real
module procedure results_writeVectorDataset_real module procedure results_writeVectorDataset_real
module procedure results_writeScalarDataset_real module procedure results_writeScalarDataset_real
module procedure results_writeTensorDataset_int module procedure results_writeTensorDataset_int
module procedure results_writeVectorDataset_int module procedure results_writeVectorDataset_int
module procedure results_writeScalarDataset_rotation module procedure results_writeScalarDataset_rotation
end interface results_writeDataset end interface results_writeDataset
interface results_addAttribute interface results_addAttribute
module procedure results_addAttribute_real module procedure results_addAttribute_real
module procedure results_addAttribute_int module procedure results_addAttribute_int
module procedure results_addAttribute_str module procedure results_addAttribute_str
module procedure results_addAttribute_int_array module procedure results_addAttribute_int_array
module procedure results_addAttribute_real_array module procedure results_addAttribute_real_array
end interface results_addAttribute end interface results_addAttribute
public :: & public :: &
@ -59,7 +59,9 @@ module results
results_mapping_materialpoint results_mapping_materialpoint
contains contains
subroutine results_init subroutine results_init(restart)
logical, intent(in) :: restart
character(len=pStringLen) :: commandLine character(len=pStringLen) :: commandLine
@ -68,15 +70,17 @@ subroutine results_init
write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017' write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5' write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5'
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.) if(.not. restart) then
call results_addAttribute('DADF5_version_major',0) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
call results_addAttribute('DADF5_version_minor',6) call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DAMASK_version',DAMASKVERSION) call results_addAttribute('DADF5_version_minor',6)
call get_command(commandLine) call results_addAttribute('DAMASK_version',DAMASKVERSION)
call results_addAttribute('call',trim(commandLine)) call get_command(commandLine)
call results_closeGroup(results_addGroup('mapping')) call results_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('mapping/cellResults')) call results_closeGroup(results_addGroup('mapping'))
call results_closeJobFile call results_closeGroup(results_addGroup('mapping/cellResults'))
call results_closeJobFile
endif
end subroutine results_init end subroutine results_init
@ -87,7 +91,7 @@ end subroutine results_init
subroutine results_openJobFile subroutine results_openJobFile
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
end subroutine results_openJobFile end subroutine results_openJobFile
@ -105,7 +109,7 @@ end subroutine results_closeJobFile
!> @brief creates the group of increment and adds time as attribute to the file !> @brief creates the group of increment and adds time as attribute to the file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addIncrement(inc,time) subroutine results_addIncrement(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar character(len=pStringLen) :: incChar
@ -137,7 +141,7 @@ end subroutine results_finalizeIncrement
integer(HID_T) function results_openGroup(groupName) integer(HID_T) function results_openGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName) results_openGroup = HDF5_openGroup(resultsFile,groupName)
end function results_openGroup end function results_openGroup
@ -149,7 +153,7 @@ end function results_openGroup
integer(HID_T) function results_addGroup(groupName) integer(HID_T) function results_addGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName) results_addGroup = HDF5_addGroup(resultsFile,groupName)
end function results_addGroup end function results_addGroup
@ -161,7 +165,7 @@ end function results_addGroup
subroutine results_closeGroup(group_id) subroutine results_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id integer(HID_T), intent(in) :: group_id
call HDF5_closeGroup(group_id) call HDF5_closeGroup(group_id)
end subroutine results_closeGroup end subroutine results_closeGroup
@ -290,17 +294,17 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:) :: dataset real(pReal), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -319,17 +323,17 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:,:) :: dataset real(pReal), intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -350,13 +354,13 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
logical, intent(in), optional :: transposed logical, intent(in), optional :: transposed
real(pReal), intent(in), dimension(:,:,:) :: dataset real(pReal), intent(in), dimension(:,:,:) :: dataset
integer :: i integer :: i
logical :: transposed_ logical :: transposed_
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
if(present(transposed)) then if(present(transposed)) then
transposed_ = transposed transposed_ = transposed
else else
@ -374,13 +378,13 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
endif endif
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset_transposed,label,.true.) call HDF5_write(groupHandle,dataset_transposed,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset_transposed,label,.false.) call HDF5_write(groupHandle,dataset_transposed,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -400,17 +404,17 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:) :: dataset integer, intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -430,17 +434,17 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:,:) :: dataset integer, intent(inout), dimension(:,:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -460,17 +464,17 @@ subroutine results_writeScalarDataset_rotation(group,dataset,label,description,l
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: lattice_structure character(len=*), intent(in), optional :: lattice_structure
type(rotation), intent(inout), dimension(:) :: dataset type(rotation), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) & if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) &
@ -486,11 +490,11 @@ end subroutine results_writeScalarDataset_rotation
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label) subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element) integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element) integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: & integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: &
phaseAtMaterialpoint, & phaseAtMaterialpoint, &
memberAtGlobal memberAtGlobal
@ -500,7 +504,7 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer(HID_T) :: & integer(HID_T) :: &
loc_id, & !< identifier of group in file loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type dtype_id, & !< identifier of compound data type
@ -512,30 +516,30 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
plist_id, & plist_id, &
dt_id dt_id
integer(SIZE_T) :: type_size_string, type_size_int integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i integer :: ierr, i
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array ! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr) call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr)
call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr) call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr)
call h5tget_size_f(dt_id, type_size_string, ierr) call h5tget_size_f(dt_id, type_size_string, ierr)
call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr) call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr)
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr) call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr)
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type ! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr)
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr) call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr)
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr)
call h5tclose_f(dt_id, ierr) call h5tclose_f(dt_id, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -553,10 +557,10 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
#ifdef PETSc #ifdef PETSc
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr) call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5pset_dxpl_mpio_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5pset_dxpl_mpio_f')
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/writeSize') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/writeSize')
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/memberOffset') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/memberOffset')
#endif #endif
@ -564,15 +568,15 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T) myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T)
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T) myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T) totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape) ! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call h5screate_simple_f(2,myShape,memspace_id,ierr,myShape) call h5screate_simple_f(2,myShape,memspace_id,ierr,myShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/memspace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/memspace_id')
call h5screate_simple_f(2,totalShape,filespace_id,ierr,totalShape) call h5screate_simple_f(2,totalShape,filespace_id,ierr,totalShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/filespace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/filespace_id')
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr) call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5sselect_hyperslab_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5sselect_hyperslab_f')
@ -581,7 +585,7 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
do i = 1, size(phaseAtMaterialpoint,2) do i = 1, size(phaseAtMaterialpoint,2)
phaseAtMaterialpoint(:,i,:) = phaseAt phaseAtMaterialpoint(:,i,:) = phaseAt
enddo enddo
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
@ -591,11 +595,11 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write the components of the compound type individually ! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr) call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults') loc_id = results_openGroup('/mapping/cellResults')
call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr) call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f')
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), & call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id) myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id')
@ -621,11 +625,11 @@ end subroutine results_mapping_constituent
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label) subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element) integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element) integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: & integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: &
homogenizationAtMaterialpoint, & homogenizationAtMaterialpoint, &
memberAtGlobal memberAtGlobal
@ -635,7 +639,7 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer(HID_T) :: & integer(HID_T) :: &
loc_id, & !< identifier of group in file loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type dtype_id, & !< identifier of compound data type
@ -647,30 +651,30 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
plist_id, & plist_id, &
dt_id dt_id
integer(SIZE_T) :: type_size_string, type_size_int integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i integer :: ierr, i
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array ! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr) call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr)
call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr) call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr)
call h5tget_size_f(dt_id, type_size_string, ierr) call h5tget_size_f(dt_id, type_size_string, ierr)
call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr) call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr)
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr) call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr)
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type ! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr)
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr) call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr)
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr)
call h5tclose_f(dt_id, ierr) call h5tclose_f(dt_id, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -688,10 +692,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
#ifdef PETSc #ifdef PETSc
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr) call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5pset_dxpl_mpio_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5pset_dxpl_mpio_f')
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/writeSize') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/writeSize')
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/memberOffset') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/memberOffset')
#endif #endif
@ -699,15 +703,15 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
myShape = int([writeSize(worldrank)], HSIZE_T) myShape = int([writeSize(worldrank)], HSIZE_T)
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T) myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([sum(writeSize)], HSIZE_T) totalShape = int([sum(writeSize)], HSIZE_T)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape) ! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call h5screate_simple_f(1,myShape,memspace_id,ierr,myShape) call h5screate_simple_f(1,myShape,memspace_id,ierr,myShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/memspace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/memspace_id')
call h5screate_simple_f(1,totalShape,filespace_id,ierr,totalShape) call h5screate_simple_f(1,totalShape,filespace_id,ierr,totalShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/filespace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/filespace_id')
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr) call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5sselect_hyperslab_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5sselect_hyperslab_f')
@ -716,7 +720,7 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
do i = 1, size(homogenizationAtMaterialpoint,1) do i = 1, size(homogenizationAtMaterialpoint,1)
homogenizationAtMaterialpoint(i,:) = homogenizationAt homogenizationAtMaterialpoint(i,:) = homogenizationAt
enddo enddo
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
@ -726,11 +730,11 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write the components of the compound type individually ! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr) call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults') loc_id = results_openGroup('/mapping/cellResults')
call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr) call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f')
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), & call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id) myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id')