223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'development' into SolverRestart-in-HDF5

This commit is contained in:
Martin Diehl 2019-04-30 17:07:45 +02:00
parent ed8270d432 c3a7b7b068
commit 5a0e408d59
70 changed files with 5652 additions and 5956 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
.gitignore vendored
View File

@ -1,8 +1,5 @@
*.pyc
*.mod
*.o
*.hdf5
*.exe
*.bak
*~
bin

9
.gitlab-ci.yml
View File

@ -382,13 +382,6 @@ Phenopowerlaw_singleSlip:
- master
- release
TextureComponents:
stage: grid
script: TextureComponents/test.py
except:
- master
- release
###################################################################################################
Marc_compileIfort2018_1:
@ -505,7 +498,7 @@ Processing:
- rm abq_addUserOutput.py marc_addUserOutput.py
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
- cd $DAMASKROOT/processing/post
- rm marc_to_vtk.py vtk2ang.py
- rm marc_to_vtk.py vtk2ang.py DAD*.py
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
except:
- master

321
CMakeLists.txt
View File

@ -105,12 +105,13 @@ set (CMAKE_C_COMPILER "${PETSC_MPICC}")
# Now start to care about DAMASK
# DAMASK solver defines project to build
if (DAMASK_SOLVER STREQUAL "GRID")
project (DAMASK_grid Fortran C)
string(TOLOWER ${DAMASK_SOLVER} DAMASK_SOLVER)
if (DAMASK_SOLVER STREQUAL "grid")
project (damask-grid Fortran C)
add_definitions (-DGrid)
message ("Building Grid Solver\n")
elseif (DAMASK_SOLVER STREQUAL "FEM")
project (DAMASK_FEM Fortran C)
elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
project (damask-mesh Fortran C)
add_definitions (-DFEM)
message ("Building FEM Solver\n")
else ()
@ -138,14 +139,14 @@ elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")
endif ()
# $OPTIMIZATION takes precedence over $BUILD_TYPE defaults
if (OPTIMIZATION STREQUAL "")
if (OPTIMIZATION STREQUAL "" OR NOT DEFINED OPTIMIZATION)
set (OPTIMIZATION "${OPTI}")
else ()
set (OPTIMIZATION "${OPTIMIZATION}")
endif ()
# $OPENMP takes precedence over $BUILD_TYPE defaults
if (OPENMP STREQUAL "")
if (OPENMP STREQUAL "" OR NOT DEFINED OPENMP)
set (OPENMP "${PARALLEL}")
else ()
set(OPENMP "${OPENMP}")
@ -156,22 +157,6 @@ if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only")
endif ()
# Parse DAMASK_BIN from CONFIG file
file (READ "CONFIG" CONFIGFILE)
string (REGEX REPLACE ";" "\\\\;" CONFIGFILE "${CONFIGFILE}")
string (REGEX REPLACE "\n" ";" CONFIGFILE "${CONFIGFILE}")
foreach (item ${CONFIGFILE})
string (REGEX MATCH ".+DAMASK_BIN.+" item ${item})
if (item)
string (REGEX REPLACE "set" "" item "${item}")
string (REGEX REPLACE "=" " " item "${item}")
string (REGEX REPLACE "\\\${DAMASK_ROOT}" "${PROJECT_SOURCE_DIR}" item "${item}")
string (REPLACE "DAMASK_BIN" ";" STRING_LIST ${item})
list (GET STRING_LIST 1 item)
string (STRIP "${item}" CMAKE_INSTALL_PREFIX)
endif ()
endforeach(item ${CONFIGFILE})
# Parse DAMASK version from VERSION file
find_program (CAT_EXECUTABLE NAMES cat)
execute_process (COMMAND ${CAT_EXECUTABLE} ${PROJECT_SOURCE_DIR}/VERSION
@ -184,283 +169,14 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
add_definitions (-DPETSc)
set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
###################################################################################################
# Intel Compiler
###################################################################################################
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
if (OPENMP)
set (OPENMP_FLAGS "-qopenmp -parallel")
endif ()
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0 -no-ip")
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
# Link against shared Intel libraries instead of static ones
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
# flush underflow to zero, automatically set if -O[1,2,3]
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
# ... the text exceeds right hand column allowed on the line (we have only comments there)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
# enables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
# ... any undeclared names (alternative name: -implicitnone)
set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
# ... warning messages and informational messages are issued by the compiler
set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
# ... questionable programming practices
set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
# ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
# ... %LOC is stripped from an actual argument
set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
# ... data that is not naturally aligned
set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
# ... declared variables that are never used
# Additional options
# -warn: enables warnings, where
# truncated_source: Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
# (too many warnings because we have comments beyond character 132)
# uncalled: Determines whether warnings occur when a statement function is never called
# all:
# -name as_is: case sensitive Fortran!
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Generate symbolic debugging information in the object file
set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
# Trap uninitalized variables
set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
# Checks at runtime ...
set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
# ... if an array index is too small (<1) or too large!
set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
# ... for the data type of an item being formatted for output.
set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
# ... for the fit of data items within a designated format descriptor field.
set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
# ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
# ... for uninitialized variables.
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
# ... initializes stack local variables to an unusual value to aid error detection
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
# ... capture all floating-point exceptions, sets -ftz automatically
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
# enables warnings ...
set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
# ... warnings are changed to errors
set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
# ... warnings about Fortran standard violations are changed to errors
set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
# generate debug information for parameters
# Additional options
# -heap-arrays: Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
# -check: Checks at runtime, where
# arg_temp_created: will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
# stack:
#------------------------------------------------------------------------------------------------
# precision settings
set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)
###################################################################################################
# GNU Compiler
###################################################################################################
include(Compiler-Intel)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
if (OPENMP)
set (OPENMP_FLAGS "-fopenmp")
endif ()
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" )
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize")
endif ()
set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" )
set (LINKER_FLAGS "${LINKER_FLAGS} -Wl")
# options parsed directly to the linker
set (LINKER_FLAGS "${LINKER_FLAGS},-undefined,dynamic_lookup" )
# ensure to link against dynamic libraries
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
# restrict line length to the standard 132 characters (lattice.f90 require more characters)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fimplicit-none")
# assume "implicit none" even if not present in source
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wall")
# sets the following Fortran options:
# -Waliasing: warn about possible aliasing of dummy arguments. Specifically, it warns if the same actual argument is associated with a dummy argument with "INTENT(IN)" and a dummy argument with "INTENT(OUT)" in a call with an explicit interface.
# -Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
# -Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
# -Wconversion: warn about implicit conversions between different type
# -Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
# -Wc-binding-type:
# -Wintrinsics-std: only standard intrisics are available, e.g. "call flush(6)" will cause an error
# -Wno-tabs: do not allow tabs in source
# -Wintrinsic-shadow: warn if a user-defined procedure or module procedure has the same name as an intrinsic
# -Wline-truncation:
# -Wtarget-lifetime:
# -Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
# -Wunused: a number of unused-xxx warnings
# and sets the general (non-Fortran options) options:
# -Waddress
# -Warray-bounds (only with -O2)
# -Wc++11-compat
# -Wchar-subscripts
# -Wcomment
# -Wformat
# -Wmaybe-uninitialized
# -Wnonnull
# -Wparentheses
# -Wpointer-sign
# -Wreorder
# -Wreturn-type
# -Wsequence-point
# -Wstrict-aliasing
# -Wstrict-overflow=1
# -Wswitch
# -Wtrigraphs
# -Wuninitialized
# -Wunknown-pragmas
# -Wunused-function
# -Wunused-label
# -Wunused-value
# -Wunused-variable
# -Wvolatile-register-var
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wextra")
# sets the following Fortran options:
# -Wunuses-parameter:
# -Wcompare-reals:
# and sets the general (non-Fortran options) options:
# -Wclobbered
# -Wempty-body
# -Wignored-qualifiers
# -Wmissing-field-initializers
# -Woverride-init
# -Wsign-compare
# -Wtype-limits
# -Wuninitialized
# -Wunused-but-set-parameter (only with -Wunused or -Wall)
# -Wno-globals
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wcharacter-truncation")
# warn if character expressions (strings) are truncated
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wunderflow")
# produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=pure")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=noreturn")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wconversion-extra")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wimplicit-procedure")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wno-unused-parameter")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
# print summary of floating point exeptions (invalid,zero,overflow,underflow,inexact,denormal)
# Additional options
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
# -Wimplicit-interface: no interfaces for lapack/MPI routines
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions.
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
# stop execution if floating point exception is detected (NaN is silent)
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Generate symbolic debugging information in the object file
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fbacktrace")
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
# checks for (array-temps,bounds,do,mem,pointer,recursion)
# Additional options
# -ffpe-trap=precision,denormal,underflow
#------------------------------------------------------------------------------------------------
# precision settings
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-real-8")
# set precision to 8 bytes for standard real (=8 for pReal). Will set size of double to 16 bytes as long as -fdefault-double-8 is not set
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-double-8")
# set precision to 8 bytes for double real, would be 16 bytes if -fdefault-real-8 is used
###################################################################################################
# PGI Compiler
###################################################################################################
include(Compiler-GNU)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" )
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3")
endif ()
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
# preprocessor
set (STANDARD_CHECK "-Mallocatable=03")
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Includes debugging information in the object module; sets the optimization level to zero unless a -⁠O option is present on the command line
include(Compiler-PGI)
else ()
message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
endif ()
@ -483,18 +199,3 @@ message ("Fortran Linker Command:\n${CMAKE_Fortran_LINK_EXECUTABLE}\n")
# location of code
add_subdirectory (src)
# INSTALL BUILT BINARIES
if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
exec_program (mktemp OUTPUT_VARIABLE nothing)
exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
install (PROGRAMS ${nothing} DESTINATION ${black_hole})
else ()
if (PROJECT_NAME STREQUAL "DAMASK_grid")
install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_spectral
DESTINATION ${CMAKE_INSTALL_PREFIX})
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_FEM
DESTINATION ${CMAKE_INSTALL_PREFIX})
endif ()
endif ()

2
CONFIG
View File

@ -1,8 +1,6 @@
# "set"-syntax needed only for tcsh (but works with bash and zsh)
# DAMASK_ROOT will be expanded
set DAMASK_BIN = ${DAMASK_ROOT}/bin
set DAMASK_NUM_THREADS = 4
set MSC_ROOT = /opt/msc

25
Makefile
View File

@ -2,30 +2,31 @@ SHELL = /bin/sh
########################################################################################
# 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)'))))")
.PHONY: all
all: grid FEM processing
all: grid mesh processing
.PHONY: grid
grid: build/grid
@(cd build/grid;make -j4 --no-print-directory -ws all install;)
@(cd build/grid;make -j4 all install;)
.PHONY: spectral
spectral: build/grid
@(cd build/grid;make -j4 --no-print-directory -ws all install;)
spectral: grid
.PHONY: mesh
mesh: build/mesh
@(cd build/mesh; make -j4 all install;)
.PHONY: FEM
FEM: build/FEM
@(cd build/FEM; make -j4 --no-print-directory -ws all install;)
FEM: mesh
.PHONY: build/grid
build/grid:
@mkdir -p build/grid
@(cd build/grid; cmake -Wno-dev -DDAMASK_SOLVER=GRID -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
@(cd build/grid; cmake -Wno-dev -DDAMASK_SOLVER=GRID -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
.PHONY: build/FEM
build/FEM:
@mkdir -p build/FEM
@(cd build/FEM; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
.PHONY: build/mesh
build/mesh:
@mkdir -p build/mesh
@(cd build/mesh; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_INSTALL_PREFIX=${DAMASK_ROOT} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;)
.PHONY: clean
clean:

2
PRIVATE

@ -1 +1 @@
Subproject commit f342bc7dabddf5a9c7786d14115145ef4b0f330b
Subproject commit 212ac3b326f3a15926d71109fec0173d95931b6b

2
VERSION
View File

@ -1 +1 @@
v2.0.3-100-g6270e6f8
v2.0.3-183-gb72b6b66

130
cmake/Compiler-GNU.cmake Normal file
View File

@ -0,0 +1,130 @@
###################################################################################################
# GNU Compiler
###################################################################################################
if (OPENMP)
set (OPENMP_FLAGS "-fopenmp")
endif ()
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" )
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize")
endif ()
set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" )
set (LINKER_FLAGS "${LINKER_FLAGS} -Wl")
# options parsed directly to the linker
set (LINKER_FLAGS "${LINKER_FLAGS},-undefined,dynamic_lookup" )
# ensure to link against dynamic libraries
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
# restrict line length to the standard 132 characters (lattice.f90 require more characters)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fimplicit-none")
# assume "implicit none" even if not present in source
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wall")
# sets the following Fortran options:
# -Waliasing: warn about possible aliasing of dummy arguments. Specifically, it warns if the same actual argument is associated with a dummy argument with "INTENT(IN)" and a dummy argument with "INTENT(OUT)" in a call with an explicit interface.
# -Wampersand: checks if a character expression is continued proberly by an ampersand at the end of the line and at the beginning of the new line
# -Warray-bounds: checks if array reference is out of bounds at compile time. use -fcheck-bounds to also check during runtime
# -Wconversion: warn about implicit conversions between different type
# -Wsurprising: warn when "suspicious" code constructs are encountered. While technically legal these usually indicate that an error has been made.
# -Wc-binding-type:
# -Wintrinsics-std: only standard intrisics are available, e.g. "call flush(6)" will cause an error
# -Wno-tabs: do not allow tabs in source
# -Wintrinsic-shadow: warn if a user-defined procedure or module procedure has the same name as an intrinsic
# -Wline-truncation:
# -Wtarget-lifetime:
# -Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
# -Wunused: a number of unused-xxx warnings
# and sets the general (non-Fortran options) options:
# -Waddress
# -Warray-bounds (only with -O2)
# -Wc++11-compat
# -Wchar-subscripts
# -Wcomment
# -Wformat
# -Wmaybe-uninitialized
# -Wnonnull
# -Wparentheses
# -Wpointer-sign
# -Wreorder
# -Wreturn-type
# -Wsequence-point
# -Wstrict-aliasing
# -Wstrict-overflow=1
# -Wswitch
# -Wtrigraphs
# -Wuninitialized
# -Wunknown-pragmas
# -Wunused-function
# -Wunused-label
# -Wunused-value
# -Wunused-variable
# -Wvolatile-register-var
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wextra")
# sets the following Fortran options:
# -Wunuses-parameter:
# -Wcompare-reals:
# and sets the general (non-Fortran options) options:
# -Wclobbered
# -Wempty-body
# -Wignored-qualifiers
# -Wmissing-field-initializers
# -Woverride-init
# -Wsign-compare
# -Wtype-limits
# -Wuninitialized
# -Wunused-but-set-parameter (only with -Wunused or -Wall)
# -Wno-globals
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wcharacter-truncation")
# warn if character expressions (strings) are truncated
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wunderflow")
# produce a warning when numerical constant expressions are encountered, which yield an UNDERFLOW during compilation
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=pure")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wsuggest-attribute=noreturn")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wconversion-extra")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wimplicit-procedure")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Wno-unused-parameter")
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
# print summary of floating point exeptions (invalid,zero,overflow,underflow,inexact,denormal)
# Additional options
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
# -Wimplicit-interface: no interfaces for lapack/MPI routines
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions.
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
# stop execution if floating point exception is detected (NaN is silent)
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Generate symbolic debugging information in the object file
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fbacktrace")
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
# checks for (array-temps,bounds,do,mem,pointer,recursion)
# Additional options
# -ffpe-trap=precision,denormal,underflow
#------------------------------------------------------------------------------------------------
# precision settings
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-real-8")
# set precision to 8 bytes for standard real (=8 for pReal). Will set size of double to 16 bytes as long as -fdefault-double-8 is not set
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-double-8")
# set precision to 8 bytes for double real, would be 16 bytes if -fdefault-real-8 is used

114
cmake/Compiler-Intel.cmake Normal file
View File

@ -0,0 +1,114 @@
###################################################################################################
# Intel Compiler
###################################################################################################
if (OPENMP)
set (OPENMP_FLAGS "-qopenmp -parallel")
endif ()
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0 -no-ip")
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
set (LINKER_FLAGS "${LINKER_FLAGS} -shared-intel")
# Link against shared Intel libraries instead of static ones
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
# preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
# flush underflow to zero, automatically set if -O[1,2,3]
set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
# disables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
# ... the text exceeds right hand column allowed on the line (we have only comments there)
set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
# enables warnings ...
set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
# ... any undeclared names (alternative name: -implicitnone)
set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
# ... warning messages and informational messages are issued by the compiler
set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
# ... questionable programming practices
set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
# ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
# ... %LOC is stripped from an actual argument
set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
# ... data that is not naturally aligned
set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
# ... declared variables that are never used
# Additional options
# -warn: enables warnings, where
# truncated_source: Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
# (too many warnings because we have comments beyond character 132)
# uncalled: Determines whether warnings occur when a statement function is never called
# all:
# -name as_is: case sensitive Fortran!
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Generate symbolic debugging information in the object file
set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
# Trap uninitalized variables
set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
# Checks at runtime ...
set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
# ... if an array index is too small (<1) or too large!
set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
# ... for the data type of an item being formatted for output.
set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
# ... for the fit of data items within a designated format descriptor field.
set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
# ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
# ... for uninitialized variables.
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
# ... initializes stack local variables to an unusual value to aid error detection
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
# ... capture all floating-point exceptions, sets -ftz automatically
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
# enables warnings ...
set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
# ... warnings are changed to errors
set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
# ... warnings about Fortran standard violations are changed to errors
set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
# generate debug information for parameters
# Additional options
# -heap-arrays: Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
# -check: Checks at runtime, where
# arg_temp_created: will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
# stack:
#------------------------------------------------------------------------------------------------
# precision settings
set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)

25
cmake/Compiler-PGI.cmake Normal file
View File

@ -0,0 +1,25 @@
###################################################################################################
# PGI Compiler
###################################################################################################
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" )
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3")
endif ()
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
# preprocessor
set (STANDARD_CHECK "-Mallocatable=03")
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Includes debugging information in the object module; sets the optimization level to zero unless a -⁠O option is present on the command line

4
env/DAMASK.csh vendored
View File

@ -13,9 +13,7 @@ set BRANCH = `git branch 2>/dev/null| grep -E '^\* ')`
cd - >/dev/null
# if DAMASK_BIN is present
if ( $?DAMASK_BIN) then
set path = ($DAMASK_BIN $path)
endif
set path = ($DAMASK_ROOT/bin $path)
set SOLVER=`which DAMASK_spectral`
set PROCESSING=`which postResults`

3
env/DAMASK.sh vendored
View File

@ -33,8 +33,7 @@ unset -f set
# add BRANCH if DAMASK_ROOT is a git repository
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
# add DAMASK_BIN if present
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
PATH=${DAMASK_ROOT}/bin:$PATH
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER" == "x" ] && SOLVER=$(blink 'Not found!')

2
env/DAMASK.zsh vendored
View File

@ -25,7 +25,7 @@ unset -f set
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
# add DAMASK_BIN if present
[[ "x$DAMASK_BIN" != "x" ]] && PATH=$DAMASK_BIN:$PATH
PATH=${DAMASK_ROOT}/bin:$PATH
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
[[ "x$SOLVER" == "x" ]] && SOLVER=$(blink 'Not found!')

13
examples/SpectralMethod/Polycrystal/material.config
View File

@ -30,11 +30,20 @@ plasticity phenopowerlaw
(output) resistance_slip
(output) shearrate_slip
(output) resolvedstress_slip
(output) totalshear
(output) accumulatedshear_slip
(output) resistance_twin
(output) shearrate_twin
(output) resolvedstress_twin
(output) totalvolfrac
(output) accumulatedshear_twin
# only for HDF5 out
(output) orientation # quaternion
(output) f # deformation gradient tensor; synonyms: "defgrad"
(output) fe # elastic deformation gradient tensor
(output) fp # plastic deformation gradient tensor
(output) p # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola"
(output) lp # plastic velocity gradient tensor
lattice_structure fcc
Nslip 12 # per family

2
installation/mods_Abaqus/abaqus_v6.env
View File

@ -16,7 +16,7 @@ if False:
# use hdf5 compiler wrapper in $PATH
fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
link_sl += fortCmd.split()[1:]
fortCmd +=" -DDAMASKHDF5"
fortCmd +=" -DDAMASK_HDF5"
else:
# Use the version in $PATH
fortCmd = "ifort"

2
installation/mods_Abaqus/abaqus_v6_debug.env
View File

@ -16,7 +16,7 @@ if False:
# use hdf5 compiler wrapper in $PATH
fortCmd = os.popen('h5fc -shlib -show').read().replace('\n','') # complicated way needed to pass in DAMASKVERSION string
link_sl += fortCmd.split()[1:]
fortCmd +=" -DDAMASKHDF5"
fortCmd +=" -DDAMASK_HDF5"
else:
# Use the version in $PATH
fortCmd = "ifort"

2
installation/mods_MarcMentat/2018.1/Marc_tools/include_linux64
View File

@ -102,7 +102,7 @@ fi
if test "$DAMASK_HDF5" = "ON";then
H5FC="$(h5fc -shlib -show)"
HDF5_LIB=${H5FC//ifort/}
FCOMP="$H5FC -DDAMASKHDF5"
FCOMP="$H5FC -DDAMASK_HDF5"
echo $FCOMP
else
FCOMP=ifort

14
installation/mods_MarcMentat/2018/Marc_tools/include_linux64
View File

@ -63,7 +63,6 @@ else
INTEGER_PATH=/$MARC_INTEGER_SIZE
fi
FCOMP=ifort
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
# find the root directory of the compiler installation:
@ -99,6 +98,16 @@ else
FCOMPROOT=
fi
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
if test "$DAMASK_HDF5" = "ON";then
H5FC="$(h5fc -shlib -show)"
HDF5_LIB=${H5FC//ifort/}
FCOMP="$H5FC -DDAMASK_HDF5"
echo $FCOMP
else
FCOMP=ifort
fi
# AEM
if test "$MARCDLLOUTDIR" = ""; then
DLLOUTDIR="$MARC_LIB"
@ -535,6 +544,7 @@ else
DAMASKVERSION="'N/A'"
fi
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018 -DDAMASKVERSION=$DAMASKVERSION \
@ -737,7 +747,7 @@ SECLIBS="-L$MARC_LIB -llapi"
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
$MKLLIB -L$MARC_MKL -liomp5 \
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF5_LIB "
SOLVERLIBS_DLL=${SOLVERLIBS}
if test "$AEM_DLL" -eq 1

5
installation/patch/README.md
View File

@ -12,7 +12,10 @@ patch -p1 < installation/patch/nameOfPatch
## Available patches
* **disable_HDF5** disables all HDF5 output.
HDF5 output is an experimental feature. Also, some routines not present in HDF5 1.8.x are remove to allow compilation of DAMASK with HDF5 < 1.10.x
HDF5 output is an experimental feature. Also, some routines not present in HDF5 1.8.x are removed to allow compilation of DAMASK with HDF5 < 1.10.x
* **disable_old_output** disables all non-HDF5 output.
Saves some memory when using only HDF5 output
## Create patch
commit your changes

178
installation/patch/disable_old_output Normal file
View File

@ -0,0 +1,178 @@
From 6dbd904a4cfc28add3c39bb2a4ec9e2dbb2442b6 Mon Sep 17 00:00:00 2001
From: Martin Diehl <m.diehl@mpie.de>
Date: Thu, 18 Apr 2019 18:25:32 +0200
Subject: [PATCH] to create patch
---
src/DAMASK_grid.f90 | 81 +-----------------------------------------
src/homogenization.f90 | 2 ++
2 files changed, 3 insertions(+), 80 deletions(-)
diff --git a/src/DAMASK_grid.f90 b/src/DAMASK_grid.f90
index f2f52bb2..a7543f4d 100644
--- a/src/DAMASK_grid.f90
+++ b/src/DAMASK_grid.f90
@@ -18,7 +18,6 @@ program DAMASK_spectral
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
- geometryFile, &
getSolverJobName, &
interface_restartInc
use IO, only: &
@@ -49,14 +48,9 @@ program DAMASK_spectral
restartInc
use numerics, only: &
worldrank, &
- worldsize, &
stagItMax, &
maxCutBack, &
continueCalculation
- use homogenization, only: &
- materialpoint_sizeResults, &
- materialpoint_results, &
- materialpoint_postResults
use material, only: &
thermal_type, &
damage_type, &
@@ -131,12 +125,6 @@ program DAMASK_spectral
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
- integer(MPI_OFFSET_KIND) :: fileOffset
- integer(MPI_OFFSET_KIND), dimension(:), allocatable :: outputSize
- integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
- integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
- integer(pLongInt), dimension(2) :: outputIndex
- PetscErrorCode :: ierr
procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init
procedure(grid_mech_spectral_basic_forward), pointer :: &
@@ -384,22 +372,6 @@ program DAMASK_spectral
! write header of output file
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1_pInt) then
- open(newunit=fileUnit,file=trim(getSolverJobName())//&
- '.spectralOut',form='UNFORMATTED',status='REPLACE')
- write(fileUnit) 'load:', trim(loadCaseFile) ! ... and write header
- write(fileUnit) 'workingdir:', 'n/a'
- write(fileUnit) 'geometry:', trim(geometryFile)
- write(fileUnit) 'grid:', grid
- write(fileUnit) 'size:', geomSize
- write(fileUnit) 'materialpoint_sizeResults:', materialpoint_sizeResults
- write(fileUnit) 'loadcases:', size(loadCases)
- write(fileUnit) 'frequencies:', loadCases%outputfrequency ! one entry per LoadCase
- write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
- write(fileUnit) 'logscales:', loadCases%logscale
- write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
- write(fileUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
- write(fileUnit) 'eoh'
- close(fileUnit) ! end of header
open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
@@ -412,39 +384,6 @@ program DAMASK_spectral
endif writeHeader
endif
-!--------------------------------------------------------------------------------------------------
-! prepare MPI parallel out (including opening of file)
- allocate(outputSize(worldsize), source = 0_MPI_OFFSET_KIND)
- outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND)
- call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce')
- call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
- MPI_MODE_WRONLY + MPI_MODE_APPEND, &
- MPI_INFO_NULL, &
- fileUnit, &
- ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_open')
- call MPI_file_get_position(fileUnit,fileOffset,ierr) ! get offset from header
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_get_position')
- fileOffset = fileOffset + sum(outputSize(1:worldrank)) ! offset of my process in file (header + processes before me)
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
-
- writeUndeformed: if (interface_restartInc < 1_pInt) then
- write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
- call CPFEM_results(0_pInt,0.0_pReal)
- do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
- outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)), &
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
- if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
- enddo
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
- endif writeUndeformed
-
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! load case start time
@@ -574,7 +513,6 @@ program DAMASK_spectral
write(6,'(/,a)') ' cutting back '
else ! no more options to continue
call IO_warning(850_pInt)
- call MPI_file_close(fileUnit,ierr)
close(statUnit)
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
endif
@@ -593,24 +531,8 @@ program DAMASK_spectral
' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6)
- if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
- write(6,'(1/,a)') ' ... writing results to file ......................................'
- flush(6)
- call materialpoint_postResults()
- call MPI_file_seek (fileUnit,fileOffset,MPI_SEEK_SET,ierr)
- if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
- do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
- outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
- min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
- call MPI_file_write(fileUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
- [(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- int((outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)),&
- MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
- if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
- enddo
- fileOffset = fileOffset + sum(outputSize) ! forward to current file position
+ if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) & ! at output frequency
call CPFEM_results(totalIncsCounter,time)
- endif
if ( loadCases(currentLoadCase)%restartFrequency > 0_pInt & ! writing of restart info requested ...
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ... and at frequency of writing restart information
restartWrite = .true. ! set restart parameter for FEsolving
@@ -633,7 +555,6 @@ program DAMASK_spectral
real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, ' %) increments converged!'
flush(6)
- call MPI_file_close(fileUnit,ierr)
close(statUnit)
if (notConvergedCounter > 0_pInt) call quit(2_pInt) ! error if some are not converged
diff --git a/src/homogenization.f90 b/src/homogenization.f90
index 06da6ab2..0743d545 100644
--- a/src/homogenization.f90
+++ b/src/homogenization.f90
@@ -269,6 +269,7 @@ subroutine homogenization_init
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
+ constitutive_source_maxSizePostResults)
+ materialpoint_sizeResults = 0
allocate(materialpoint_results(materialpoint_sizeResults,theMesh%elem%nIPs,theMesh%nElems))
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
@@ -682,6 +683,7 @@ subroutine materialpoint_postResults
i, & !< integration point number
e !< element number
+ return
!$OMP PARALLEL DO PRIVATE(myNgrains,myCrystallite,thePos,theSize)
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
--
2.21.0

2
installation/symlink_Processing.py
View File

@ -7,7 +7,7 @@ import damask
damaskEnv = damask.Environment()
baseDir = damaskEnv.relPath('processing/')
binDir = damaskEnv.options['DAMASK_BIN']
binDir = damaskEnv.relPath('bin/')
if not os.path.isdir(binDir):
os.mkdir(binDir)

92
processing/post/DADF5_vtk_cells.py Executable file
View File

@ -0,0 +1,92 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk
import numpy as np
import argparse
import damask
from vtk.util import numpy_support
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = argparse.ArgumentParser()
#ToDo: We need to decide on a way of handling arguments of variable lentght
#https://stackoverflow.com/questions/15459997/passing-integer-lists-to-python
#parser.add_argument('--version', action='version', version='%(prog)s {}'.format(scriptID))
parser.add_argument('filenames', nargs='+',
help='DADF5 files')
options = parser.parse_args()
options.labels = ['Fe','Fp','xi_sl']
# --- loop over input files ------------------------------------------------------------------------
for filename in options.filenames:
results = damask.DADF5(filename)
if results.structured: # for grid solvers use rectilinear grid
rGrid = vtk.vtkRectilinearGrid()
coordArray = [vtk.vtkDoubleArray(),
vtk.vtkDoubleArray(),
vtk.vtkDoubleArray(),
]
rGrid.SetDimensions(*(results.grid+1))
for dim in [0,1,2]:
for c in np.linspace(0,results.size[dim],1+results.grid[dim]):
coordArray[dim].InsertNextValue(c)
rGrid.SetXCoordinates(coordArray[0])
rGrid.SetYCoordinates(coordArray[1])
rGrid.SetZCoordinates(coordArray[2])
for i,inc in enumerate(results.increments):
print('Output step {}/{}'.format(i+1,len(results.increments)))
vtk_data = []
results.active['increments'] = [inc]
for label in options.labels:
for o in results.c_output_types:
results.active['c_output_types'] = [o]
if o != 'generic':
for c in results.constituents:
results.active['constituents'] = [c]
x = results.get_dataset_location(label)
if len(x) == 0:
continue
array = results.read_dataset(x,0)
shape = [array.shape[0],np.product(array.shape[1:])]
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
rGrid.GetCellData().AddArray(vtk_data[-1])
else:
results.active['constituents'] = results.constituents
x = results.get_dataset_location(label)
if len(x) == 0:
continue
array = results.read_dataset(x,0)
shape = [array.shape[0],np.product(array.shape[1:])]
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
vtk_data[-1].SetName('1_'+x[0].split('/')[1]+'/generic/'+label)
rGrid.GetCellData().AddArray(vtk_data[-1])
if results.structured:
writer = vtk.vtkXMLRectilinearGridWriter()
writer.SetCompressorTypeToZLib()
writer.SetDataModeToBinary()
writer.SetFileName(os.path.join(os.path.split(filename)[0],
os.path.splitext(os.path.split(filename)[1])[0] +
'_inc{:04d}'.format(i) + # ToDo: adjust to length of increments
'.' + writer.GetDefaultFileExtension()))
if results.structured:
writer.SetInputData(rGrid)
writer.Write()

7
processing/post/addDisplacement.py
View File

@ -40,9 +40,10 @@ def displacementAvgFFT(F,grid,size,nodal=False,transformed=False):
np.linspace(0,size[0],1+grid[0]),
indexing = 'ij')
else:
x, y, z = np.meshgrid(np.linspace(0,size[2],grid[2],endpoint=False),
np.linspace(0,size[1],grid[1],endpoint=False),
np.linspace(0,size[0],grid[0],endpoint=False),
delta = size/grid*0.5
x, y, z = np.meshgrid(np.linspace(delta[2],size[2]-delta[2],grid[2]),
np.linspace(delta[1],size[1]-delta[1],grid[1]),
np.linspace(delta[0],size[0]-delta[0],grid[0]),
indexing = 'ij')
origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)

2
python/.gitignore vendored Normal file
View File

@ -0,0 +1,2 @@
dist
damask.egg-info

1
python/MANIFEST.in Normal file
View File

@ -0,0 +1 @@
include damask/VERSION

3
python/damask/.gitignore vendored
View File

@ -1,3 +0,0 @@
core.so
corientation.so
*.pyx

1
python/damask/LICENSE Symbolic link
View File

@ -0,0 +1 @@
../../LICENSE

1
python/damask/README Symbolic link
View File

@ -0,0 +1 @@
../../README

1
python/damask/VERSION Symbolic link
View File

@ -0,0 +1 @@
../../VERSION

5
python/damask/__init__.py
View File

@ -3,8 +3,8 @@
"""Main aggregator"""
import os
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
version = f.readline()[:-1]
with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
version = f.readline()[1:-1]
name = 'damask'
@ -14,6 +14,7 @@ from .asciitable import ASCIItable # noqa
from .config import Material # noqa
from .colormaps import Colormap, Color # noqa
from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
from .dadf5 import DADF5 # noqa
#from .block import Block # only one class
from .result import Result # noqa

112
python/damask/dadf5.py Normal file
View File

@ -0,0 +1,112 @@
# -*- coding: UTF-8 no BOM -*-
import h5py
import re
import numpy as np
# ------------------------------------------------------------------
class DADF5():
"""Read and write to DADF5 files"""
# ------------------------------------------------------------------
def __init__(self,
filename,
mode = 'r',
):
if mode not in ['a','r']:
print('Invalid file access mode')
with h5py.File(filename,mode):
pass
with h5py.File(filename,'r') as f:
if f.attrs['DADF5-major'] != 0 or f.attrs['DADF5-minor'] != 1:
raise TypeError('Unsupported DADF5 version {} '.format(f.attrs['DADF5-version']))
self.structured = 'grid' in f['mapping'].attrs.keys()
if self.structured:
self.grid = f['mapping'].attrs['grid']
self.size = f['mapping'].attrs['size']
r=re.compile('inc[0-9]+')
self.increments = [{'inc': int(u[3:]),
'time': round(f[u].attrs['time/s'],12),
} for u in f.keys() if r.match(u)]
self.constituents = np.unique(f['mapping/cellResults/constituent']['Name']).tolist() # ToDo: I am not to happy with the name
self.constituents = [c.decode() for c in self.constituents]
self.materialpoints = np.unique(f['mapping/cellResults/materialpoint']['Name']).tolist() # ToDo: I am not to happy with the name
self.materialpoints = [m.decode() for m in self.materialpoints]
self.Nconstituents = [i for i in range(np.shape(f['mapping/cellResults/constituent'])[1])]
self.Nmaterialpoints = np.shape(f['mapping/cellResults/constituent'])[0]
self.c_output_types = []
for c in self.constituents:
for o in f['inc{:05}/constituent/{}'.format(self.increments[0]['inc'],c)].keys():
self.c_output_types.append(o)
self.c_output_types = list(set(self.c_output_types)) # make unique
self.active= {'increments': self.increments,
'constituents': self.constituents,
'materialpoints': self.materialpoints,
'constituent': self.Nconstituents,
'c_output_types': self.c_output_types}
self.filename = filename
self.mode = mode
def list_data(self):
"""Shows information on all datasets in the file"""
with h5py.File(self.filename,'r') as f:
group_inc = 'inc{:05}'.format(self.active['increments'][0]['inc'])
for c in self.active['constituents']:
print('\n'+c)
group_constituent = group_inc+'/constituent/'+c
for t in self.active['c_output_types']:
print(' {}'.format(t))
group_output_types = group_constituent+'/'+t
try:
for x in f[group_output_types].keys():
print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
except:
pass
def get_dataset_location(self,label):
"""Returns the location of all active datasets with given label"""
path = []
with h5py.File(self.filename,'r') as f:
for i in self.active['increments']:
group_inc = 'inc{:05}'.format(i['inc'])
for c in self.active['constituents']:
group_constituent = group_inc+'/constituent/'+c
for t in self.active['c_output_types']:
try:
f[group_constituent+'/'+t+'/'+label]
path.append(group_constituent+'/'+t+'/'+label)
except:
pass
return path
def read_dataset(self,path,c):
"""
Dataset for all points/cells
If more than one path is given, the dataset is composed of the individual contributions
"""
with h5py.File(self.filename,'r') as f:
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
dataset = np.full(shape,np.nan)
for pa in path:
label = pa.split('/')[2]
p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
u = (f['mapping/cellResults/constituent'][p,c]['Position'])
dataset[p,:] = f[pa][u,:]
return dataset

23
python/damask/environment.py
View File

@ -1,6 +1,6 @@
# -*- coding: UTF-8 no BOM -*-
import os,subprocess,shlex,re
import os,re
class Environment():
__slots__ = [ \
@ -26,24 +26,3 @@ class Environment():
if len(items) == 2:
self.options[items[0].upper()] = \
re.sub('\$\{*DAMASK_ROOT\}*',self.rootDir(),os.path.expandvars(items[1])) # expand all shell variables and DAMASK_ROOT
def isAvailable(self,software,Nneeded =-1):
licensesNeeded = {'abaqus' :5,
'standard':5
}
if Nneeded == -1: Nneeded = licensesNeeded[software]
try:
cmd = """ ssh mulicense2 "/lm-status | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software
process = subprocess.Popen(shlex.split(cmd),stdout = subprocess.PIPE,stderr = subprocess.PIPE)
licenses = list(map(int, process.stdout.readline().split()))
try:
if licenses[0]-licenses[1] >= Nneeded:
return 0
else:
print('%s missing licenses for %s'%(licenses[1] + Nneeded - licenses[0],software))
return licenses[1] + Nneeded - licenses[0]
except IndexError:
print('Could not retrieve license information for %s'%software)
return 127
except:
return 126

28
python/setup.py Normal file
View File

@ -0,0 +1,28 @@
import setuptools
import os
with open(os.path.join(os.path.dirname(__file__),'damask/VERSION')) as f:
version = f.readline()[1:-1]
setuptools.setup(
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",
packages=setuptools.find_packages(),
include_package_data=True,
install_requires = [
"scipy",
"h5py",
"vtk"
],
license = 'GPL3',
classifiers = [
"Programming Language :: Python :: 3",
"License :: OSI Approved :: GPL3",
"Operating System :: OS Independent",
],
)

46
src/CMakeLists.txt
View File

@ -4,43 +4,37 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
endif()
file(GLOB_RECURSE sources *.f90 *.c)
file(GLOB damask-sources *.f90 *.c)
# probably we should have subfolders for abaqus and MSC.Marc
list(FILTER sources EXCLUDE REGEX ".*CPFEM\\.f90")
list(FILTER sources EXCLUDE REGEX ".*DAMASK_marc.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_marc.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_abaqus.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*commercialFEM_fileList.*\\.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_abaqus.*.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
if (PROJECT_NAME STREQUAL "DAMASK_grid")
if (PROJECT_NAME STREQUAL "damask-grid")
# probably we should have subfolders for FEM and spectral
list(FILTER sources EXCLUDE REGEX ".*DAMASK_FEM.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*FEM_utilities.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*FEM_zoo.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_FEM.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*FEM_mech.*\\.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
file(GLOB grid-sources grid/*.f90)
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(DAMASK_spectral ${sources})
add_executable(DAMASK_spectral ${damask-sources} ${grid-sources})
install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin)
else()
add_library(DAMASK_spectral OBJECT ${sources})
add_library(DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
exec_program (mktemp OUTPUT_VARIABLE nothing)
exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
install (PROGRAMS ${nothing} DESTINATION ${black_hole})
endif()
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
elseif (PROJECT_NAME STREQUAL "damask-mesh")
# probably we should have subfolders for FEM and spectral
list(FILTER sources EXCLUDE REGEX ".*DAMASK_grid.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*grid_mech_FEM.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*grid_mech_spectral_basic.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*grid_mech_spectral_polarisation.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*grid_damage_spectral.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*grid_thermal_spectral.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*spectral_utilities.*\\.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_grid.*\\.f90")
list(FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
file(GLOB mesh-sources mesh/*.f90)
add_executable(DAMASK_FEM ${sources})
add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
endif()

10
src/CPFEM.f90
View File

@ -72,6 +72,12 @@ subroutine CPFEM_initAll(el,ip)
mesh_init
use material, only: &
material_init
#ifdef DAMASK_HDF5
use HDF5_utilities, only: &
HDF5_utilities_init
use results, only: &
results_init
#endif
use lattice, only: &
lattice_init
use constitutive, only: &
@ -100,6 +106,10 @@ subroutine CPFEM_initAll(el,ip)
call FE_init
call mesh_init(ip, el)
call lattice_init
#ifdef DAMASK_HDF5
call HDF5_utilities_init
call results_init
#endif
call material_init
call constitutive_init
call crystallite_init

7
src/CPFEM2.f90
View File

@ -72,9 +72,9 @@ subroutine CPFEM_initAll()
call FE_init
call mesh_init
call lattice_init
call material_init
call HDF5_utilities_init
call results_init
call material_init
call constitutive_init
call crystallite_init
call homogenization_init
@ -300,6 +300,8 @@ subroutine CPFEM_results(inc,time)
use HDF5_utilities
use constitutive, only: &
constitutive_results
use crystallite, only: &
crystallite_results
implicit none
integer(pInt), intent(in) :: inc
@ -307,7 +309,8 @@ subroutine CPFEM_results(inc,time)
call results_openJobFile
call results_addIncrement(inc,time)
call constitutive_results()
call constitutive_results
call crystallite_results
call results_removeLink('current') ! ToDo: put this into closeJobFile
call results_closeJobFile

2369
src/HDF5_utilities.f90
View File

File diff suppressed because it is too large Load Diff

2
src/IO.f90
View File

@ -708,6 +708,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'too many systems requested'
case (146_pInt)
msg = 'number of values does not match'
case (147_pInt)
msg = 'not supported anymore'
!--------------------------------------------------------------------------------------------------
! material error messages and related messages in mesh

417
src/MarcInclude/concom2016
View File

@ -1,417 +0,0 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: concom.cmn
!
! MSC.Marc include file
!
integer(pInt) &
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr
dimension :: ideva(60)
integer(pInt) num_concom
parameter(num_concom=245)
common/marc_concom/&
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr
!
! comments of variables:
!
! iacous Control flag for acoustic analysis. Input data.
! iacous=1 modal acoustic analysis.
! iacous=2 harmonic acoustic-structural analysis.
! iasmbl Control flag to indicate that operator matrix should be
! recalculated.
! iautth Control flag for AUTO THERM option.
! ibear Control flag for bearing analysis. Input data.
! icompl Control variable to indicate that a complex analysis is
! being performed. Either a Harmonic analysis with damping,
! or a harmonic electro-magnetic analysis. Input data.
! iconj Flag for EBE conjugate gradient solver (=solver 1, retired)
! Also used for VKI iterative solver.
! icreep Control flag for creep analysis. Input data.
! ideva(60) - debug print out flag
! 1 print element stiffness matrices, mass matrix
! 2 output matrices used in tying
! 3 force the solution of a nonpositive definite matrix
! 4 print info of connections to each node
! 5 info of gap convergence, internal heat generated, contact
! touching and separation
! 6 nodal value array during rezoning
! 7 tying info in CONRAD GAP option, fluid element numbers in
! CHANNEL option
! 8 output incremental displacements in local coord. system
! 9 latent heat output
! 10 stress-strain in local coord. system
! 11 additional info on interlaminar stress
! 12 output right hand side and solution vector
! 13 info of CPU resources used and memory available on NT
! 14 info of mesh adaption process, 2D outline information
! info of penetration checking for remeshing
! save .fem files after afmesh3d meshing
! 15 surface energy balance flag
! 16 print info regarding pyrolysis
! 17 print info of "streamline topology"
! 18 print mesh data changes after remeshing
! 19 print material flow stress data read in from *.mat file
! if unit flag is on, print out flow stress after conversion
! 20 print information on table input
! 21 print out information regarding kinematic boundary conditions
! 22 print out information regarding dist loads, point loads, film
! and foundations
! 23 print out information about automatic domain decomposition
! 24 print out iteration information in SuperForm status report file
! 25 print out information for ablation
! 26 print out information for films - Table input
! 27 print out the tying forces
! 28 print out for CASI solver, convection,
! 29 DDM single file debug printout
! 30 print out cavity debug info
! 31 print out welding related info
! 32 prints categorized DDM memory usage
! 33 print out the cutting info regarding machining feature
! 34 print out the list of quantities which can be defined via a table
! and for each quantity the supported independent variables
! 35 print out detailed coupling region info
! 36 print out solver debug info level 1 (Least Detailed)
! 37 print out solver debug info level 1 (Medium Detailed)
! 38 print out solver debug info level 1 (Very Detailed)
! 39 print detailed memory allocation info
! 40 print out marc-adams debug info
! 41 output rezone mapping post file for debugging
! 42 output post file after calling oprofos() for debugging
! 43 debug printout for vcct
! 44 debug printout for progressive failure
! 45 print out automatically generated midside node coordinates (arecrd)
! 46 print out message about routine and location, where the ibort is raised (ibort_inc)
! 47 print out summary message of element variables on a
! group-basis after all the automatic changes have been
! made (em_ellibp)
! 48 Automatically generate check results based on max and min vals.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the generate_check_results script from /marc/tools
! 49 Automatically generate check results based on the real calculated values
! at the sppecified check result locations.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the update_check_results script from /marc/tools
! 50 generate a file containing the resistance or capacity matrix;
! this file can be used to compare results with a reference file
! 51 print out detailed information for segment-to-segment contact
! 52 print out detailed relative displacement information
! for uniaxial sliding contact
! 53 print out detailed sliding direction information for
! uniaxial sliding contact
! 54 print out detailed information for edges attached to a curve
! 55 print information related to viscoelasticity calculations
! 56 print out detailed information for element coloring for multithreading
! 57 print out extra overheads due to multi-threading.
! These overhead includes (i) time and (ii) memory.
! The memory report will be summed over all the children.
!
!
! 58 debug output for ELSTO usage
!
! idyn Control flag for dynamics. Input data.
! 1 = eigenvalue extraction and / or modal superposition
! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1)
! 3 = Houbolt
! 4 = Central difference
! 5 = Newer central difference
! idynt Copy of idyn at begining of increment
! ielas Control flag for ELASTIC analysis. Input data.
! Set by user or automatically turned on by Fourier option.
! Implies that each load case is treated separately.
! In Adaptive meshing analysis , forces re-analysis until
! convergence obtained.
! Also seriously misused to indicate no convergence.
! = 1 elastic option with fourier analysis
! = 2 elastic option without fourier analysis
! =-1 no convergence in recycles or max # increments reached
! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used,
! or if fourier option is used.
! Then set to 2 if not fourier analysis.
! ielcma Control flag for electromagnetic analysis. Input data.
! ielcma = 1 Harmonic formulation
! ielcma = 2 Transient formulation
! ielect Control flag for electrostatic option. Input data.
! iform Control flag indicating that contact will be performed.
! ifour Control flag for Fourier analysis.
! 0 = Odd and even terms.
! 1 = symmetric (cosine) terms
! 2 = antisymmetric (sine) terms.
! iharm Control flag to indicate that a harmonic analysis will
! be performed. May change between passes.
! ihcps Control flag for coupled thermal - stress analysis.
! iheat Control flag for heat transfer analysis. Input data.
! iheatt Permanent control flag for heat transfer analysis.
! Note in coupled analysis iheatt will remain as one,
! but iheat will be zero in stress pass.
! ihresp Control flag to indicate to perform a harmonic subincrement.
! ijoule Control flag for Joule heating.
! ilem Control flag to determin which vector is to be transformed.
! Control flag to see where one is:
! ilem = 1 - elem.f
! ilem = 2 - initst.f
! ilem = 3 - pressr.f
! ilem = 3 - fstif.f
! ilem = 4 - jflux.f
! ilem = 4 - strass.f
! ilem = 5 - mass.f
! ilem = 5 - osolty.f
! ilnmom Control flag for soil - pore pressure calculation. Input data.
! ilnmom = 0 - perform only pore pressure calculation.
! = 1 - couples pore pressure - displacement analysis
! iloren Control flag for DeLorenzi J-Integral evaluation. Input data.
! inc Increment number.
! incext Control flag indicating that currently working on a
! subincrement.
! Could be due to harmonics , damping component (bearing),
! stiffness component (bearing), auto therm creep or
! old viscoplaticity
! incsub Sub-increment number.
! ipass Control flag for which part of coupled analysis.
! ipass = -1 - reset to base values
! ipass = 0 - do nothing
! ipass = 1 - stress part
! ipass = 2 - heat transfer part
! iplres Flag indicating that either second matrix is stored.
! dynamic analysis - mass matrix
! heat transfer - specific heat matrix
! buckle - initial stress stiffness
! ipois Control flag indicating Poisson type analysis
! ipois = 1 for heat transfer
! = 1 for heat transfer part of coupled
! = 1 for bearing
! = 1 for electrostatic
! = 1 for magnetostatic
! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0
! in stress portion, yet ipoist will still =1.
! irpflo global flag for rigid plastic flow analysis
! = 1 eularian formulation
! = 2 regular formulation; rigid material present in the analysis
! ismall control flag to indicate small displacement analysis. input data.
! ismall = 0 - large disp included.
! ismall = 1 - small displacement.
! the flag is changing between passes.
! ismalt permanent copy of ismall . in heat transfer portion of
! coupled analysis ismall =0 , but ismalt remains the same.
! isoil control flag indicating that soil / pore pressure
! calculation . input data.
! ispect control flag for response spectrum calculation. input data.
! ispnow control flag to indicate to perform a spectrum response
! calculation now.
! istore store stresses flag.
! istore = 0 in elem.f and if first pass of creep
! convergence checking in ogetst.f
! or harmonic analysis or thruc.f if not
! converged.
! iswep control flag for eigenvalue analysis.
! iswep=1 - go do extraction process
! ithcrp control flag for auto therm creep option. input data.
! itherm control flag for either temperature dependent material
! properties and/or thermal loads.
! iupblg control flag for follower force option. input data.
! iupdat control flag for update lagrange option for current element.
! jacflg control flag for lanczos iteration method. input data.
! jel control flag indicating that total load applied in
! increment, ignore previous solution.
! jel = 1 in increment 0
! = 1 if elastic or fourier
! = 1 in subincrements with elastic and adaptive
! jparks control flag for j integral by parks method. input data.
! largst control flag for finite strain plasticity. input data.
! lfond control variable that indicates if doing elastic
! foundation or film calculation. influences whether
! this is volumetric or surface integration.
! loadup control flag that indicates that nonlinearity occurred
! during previous increment.
! loaduq control flag that indicates that nonlinearity occurred.
! lodcor control flag for switching on the residual load correction.
! notice in input stage lodcor=0 means no loadcor,
! after omarc lodcor=1 means no loadcor
! lovl control flag for determining which "overlay" is to
! be called from ellib.
! lovl = 1 omarc
! = 2 oaread
! = 3 opress
! = 4 oasemb
! = 5 osolty
! = 6 ogetst
! = 7 oscinc
! = 8 odynam
! = 9 opmesh
! = 10 omesh2
! = 11 osetz
! = 12 oass
! = 13 oincdt
! = 14 oasmas
! = 15 ofluas
! = 16 ofluso
! = 17 oshtra
! = 18 ocass
! = 19 osoltc
! = 20 orezon
! = 21 otest
! = 22 oeigen
! lsub control variable to determine which part of element
! assembly function is being done.
! lsub = 1 - no longer used
! = 2 - beta*
! = 3 - cons*
! = 4 - ldef*
! = 5 - posw*
! = 6 - theta*
! = 7 - tmarx*
! = 8 - geom*
! magnet control flag for magnetostatic analysis. input data.
! ncycle cycle number. accumulated in osolty.f
! note first time through oasemb.f , ncycle = 0.
! newtnt control flag for permanent copy of newton.
! newton iteration type. input data.
! newton : = 1 full newton raphson
! 2 modified newton raphson
! 3 newton raphson with strain correct.
! 4 direct substitution
! 5 direct substitution followed by n.r.
! 6 direct substitution with line search
! 7 full newton raphson with secant initial stress
! 8 secant method
! 9 full newton raphson with line search
! noshr control flag for calculation interlaminar shears for
! elements 22,45, and 75. input data.
!ees
!
! jactch = 1 or 2 if elements are activated or deactivated
! = 3 if elements are adaptively remeshed or rezoned
! = 0 normally / reset to 0 when assembly is done
! ifricsh = 0 call to fricsh in otest not needed
! = 1 call to fricsh (nodal friction) in otest needed
! iremkin = 0 remove deactivated kinematic boundary conditions
! immediately - only in new input format (this is default)
! = 1 remove deactivated kinematic boundary conditions
! gradually - only in new input format
! iremfor = 0 remove force boundary conditions immediately -
! only in new input format (this is default)
! = 1 remove force boundary conditions gradually -
! only in new input format (this is default)
! ishearp set to 1 if shear panel elements are present in the model
!
! jspf = 0 not in spf loadcase
! > 0 in spf loadcase (jspf=1 during first increment)
! machining = 1 if the metal cutting feature is used, for memory allocation purpose
! = 0 (default) if no metal cutting feature required
!
! jlshell = 1 if there is a shell element in the mesh
! icompsol = 1 if there is a composite solid element in the mesh
! iupblgfo = 1 if follower force for point loads
! jcondir = 1 if contact priority option is used
! nstcrp = 0 (default) steady state creep flag (undocumented feature.
! if not 0, turns off special ncycle = 0 code in radial.f)
! nactive = number of active passes, if =1 then it's not a coupled analysis
! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref
! icheckmpc = value of mpc-check parameter option
! noline = set to 1 in osolty if no line seacrh should be done in ogetst
! icuring = set to 1 if the curing is included for the heat transfer analysis.
! ishrink = set to 1 if shrinkage strain is included for mechancial analysis.
! ioffsflg = 1 for small displacement beam/shell offsets
! = 2 for large displacement beam/shell offsets
! isetoff = 0 - do not apply beam/shell offsets
! = 1 - apply beam/shell offsets
! ioffsetm = min. value of offset flag
! iharmt = 1 global flag if a coupled analysis contains an harmonic pass
! inc_incdat = flag to record increment number of a new loadcase in incdat.f
! iautspc = flag for AutoSPC option
! ibrake = brake squeal in this increment
! icbush = set to 1 if cbush elements present in model
! istream_input = set to 1 for streaming input calling Marc as library
! iprsinp = set to 1 if pressure input, introduced so other variables
! such as h could be a function of pressure
! ivlsinp = set to 1 if velocity input, introduced so other variables
! such as h could be a function of velocity
! ipin_m = # of beam element with PIN flag
! jgnstr_glb = global control over pre or fast integrated composite shells
! imarc_return = Marc return flag for streaming input control
! iqvcimp = if non-zero, then the number of QVECT boundary conditions
! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered
! istpnx = 1 if to stop at end of increment
! imicro1 = 1 if micro1 interface is used
! iaxisymm = set to 1 if axisymmetric analysis
! jbreakglue = set to 1 if breaking glued option is used
! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9)
! jfastasm = 1 do fast assembly using SuperForm code
! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated
! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation
! imixmeth = set=1 then use nonlinear mixture material - allocate memory
! ielcmadyn = flag for magnetodynamics
! 0 - electromagnetics using newmark beta
! 1 - transient magnetics using backward euler
! idinout = flag to control if inside out elements should be deactivated
! igena_meth = 0 - generalized alpha parameters depend on whether or not contact
! is flagged (dynamic,7)
! 10 - generalized alpha parameters are optimized for a contact
! analysis (dynamic,8)
! 11 - generalized alpha parameters are optimized for an analysis
! without contact (dynamic,8)
! magf_meth = - Method to compute force in magnetostatic - structural
! = 1 - Virtual work method based on finite difference for the force computation
! = 2 - Maxwell stress tensor
! = 3 - Virtual work method based on local derivative for the force computation
! non_assumed = 1 no assumed strain formulation (forced)
! iredoboudry set to 1 if contact boundary needs to be recalculated
! ioffsz0 = 1 if composite are used with reference position.ne.0
! icomplt = 1 global flag if a coupled analysis contains an complex pass
! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural
! one for magnetodynamic and the other for the remaining passes
! iactrp = 1 in an analysis with global remeshing, include inactive
! rigid bodies on post file
! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass
!
! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading)
! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb
! iaem = 1 if marc is called from aem (0 - off - default)
! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC)
! inodels = 1 nodal integration elements 239/240/241 present
! nlharm = 0 harmonic subincrements are linear
! = 1 harmonic subincrements are nonlinear
! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default)
! = 1 zero amplitude is initial estimate
! iphasetr = 1 phase transformation material model is used
!
!***********************************************************************
!$omp threadprivate(/marc_concom/)
!!

424
src/MarcInclude/concom2017
View File

@ -1,424 +0,0 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: concom.cmn
!
! MSC.Marc include file
!
integer(pInt) &
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror
dimension :: ideva(60)
integer(pInt) num_concom
parameter(num_concom=249)
common/marc_concom/&
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror
!
! comments of variables:
!
! iacous Control flag for acoustic analysis. Input data.
! iacous=1 modal acoustic analysis.
! iacous=2 harmonic acoustic-structural analysis.
! iasmbl Control flag to indicate that operator matrix should be
! recalculated.
! iautth Control flag for AUTO THERM option.
! ibear Control flag for bearing analysis. Input data.
! icompl Control variable to indicate that a complex analysis is
! being performed. Either a Harmonic analysis with damping,
! or a harmonic electro-magnetic analysis. Input data.
! iconj Flag for EBE conjugate gradient solver (=solver 1, retired)
! Also used for VKI iterative solver.
! icreep Control flag for creep analysis. Input data.
! ideva(60) - debug print out flag
! 1 print element stiffness matrices, mass matrix
! 2 output matrices used in tying
! 3 force the solution of a nonpositive definite matrix
! 4 print info of connections to each node
! 5 info of gap convergence, internal heat generated, contact
! touching and separation
! 6 nodal value array during rezoning
! 7 tying info in CONRAD GAP option, fluid element numbers in
! CHANNEL option
! 8 output incremental displacements in local coord. system
! 9 latent heat output
! 10 stress-strain in local coord. system
! 11 additional info on interlaminar stress
! 12 output right hand side and solution vector
! 13 info of CPU resources used and memory available on NT
! 14 info of mesh adaption process, 2D outline information
! info of penetration checking for remeshing
! save .fem files after afmesh3d meshing
! 15 surface energy balance flag
! 16 print info regarding pyrolysis
! 17 print info of "streamline topology"
! 18 print mesh data changes after remeshing
! 19 print material flow stress data read in from *.mat file
! if unit flag is on, print out flow stress after conversion
! 20 print information on table input
! 21 print out information regarding kinematic boundary conditions
! 22 print out information regarding dist loads, point loads, film
! and foundations
! 23 print out information about automatic domain decomposition
! 24 print out iteration information in SuperForm status report file
! 25 print out information for ablation
! 26 print out information for films - Table input
! 27 print out the tying forces
! 28 print out for CASI solver, convection,
! 29 DDM single file debug printout
! 30 print out cavity debug info
! 31 print out welding related info
! 32 prints categorized DDM memory usage
! 33 print out the cutting info regarding machining feature
! 34 print out the list of quantities which can be defined via a table
! and for each quantity the supported independent variables
! 35 print out detailed coupling region info
! 36 print out solver debug info level 1 (Least Detailed)
! 37 print out solver debug info level 1 (Medium Detailed)
! 38 print out solver debug info level 1 (Very Detailed)
! 39 print detailed memory allocation info
! 40 print out marc-adams debug info
! 41 output rezone mapping post file for debugging
! 42 output post file after calling oprofos() for debugging
! 43 debug printout for vcct
! 44 debug printout for progressive failure
! 45 print out automatically generated midside node coordinates (arecrd)
! 46 print out message about routine and location, where the ibort is raised (ibort_inc)
! 47 print out summary message of element variables on a
! group-basis after all the automatic changes have been
! made (em_ellibp)
! 48 Automatically generate check results based on max and min vals.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the generate_check_results script from /marc/tools
! 49 Automatically generate check results based on the real calculated values
! at the sppecified check result locations.
! These vals are stored in the checkr file, which is inserted
! into the *dat file by the update_check_results script from /marc/tools
! 50 generate a file containing the resistance or capacity matrix;
! this file can be used to compare results with a reference file
! 51 print out detailed information for segment-to-segment contact
! 52 print out detailed relative displacement information
! for uniaxial sliding contact
! 53 print out detailed sliding direction information for
! uniaxial sliding contact
! 54 print out detailed information for edges attached to a curve
! 55 print information related to viscoelasticity calculations
! 56 print out detailed information for element coloring for multithreading
! 57 print out extra overheads due to multi-threading.
! These overhead includes (i) time and (ii) memory.
! The memory report will be summed over all the children.
!
!
! 58 debug output for ELSTO usage
!
! idyn Control flag for dynamics. Input data.
! 1 = eigenvalue extraction and / or modal superposition
! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1)
! 3 = Houbolt
! 4 = Central difference
! 5 = Newer central difference
! idynt Copy of idyn at begining of increment
! ielas Control flag for ELASTIC analysis. Input data.
! Set by user or automatically turned on by Fourier option.
! Implies that each load case is treated separately.
! In Adaptive meshing analysis , forces re-analysis until
! convergence obtained.
! Also seriously misused to indicate no convergence.
! = 1 elastic option with fourier analysis
! = 2 elastic option without fourier analysis
! =-1 no convergence in recycles or max # increments reached
! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used,
! or if fourier option is used.
! Then set to 2 if not fourier analysis.
! ielcma Control flag for electromagnetic analysis. Input data.
! ielcma = 1 Harmonic formulation
! ielcma = 2 Transient formulation
! ielect Control flag for electrostatic option. Input data.
! iform Control flag indicating that contact will be performed.
! ifour Control flag for Fourier analysis.
! 0 = Odd and even terms.
! 1 = symmetric (cosine) terms
! 2 = antisymmetric (sine) terms.
! iharm Control flag to indicate that a harmonic analysis will
! be performed. May change between passes.
! ihcps Control flag for coupled thermal - stress analysis.
! iheat Control flag for heat transfer analysis. Input data.
! iheatt Permanent control flag for heat transfer analysis.
! Note in coupled analysis iheatt will remain as one,
! but iheat will be zero in stress pass.
! ihresp Control flag to indicate to perform a harmonic subincrement.
! ijoule Control flag for Joule heating.
! ilem Control flag to determin which vector is to be transformed.
! Control flag to see where one is:
! ilem = 1 - elem.f
! ilem = 2 - initst.f
! ilem = 3 - pressr.f
! ilem = 3 - fstif.f
! ilem = 4 - jflux.f
! ilem = 4 - strass.f
! ilem = 5 - mass.f
! ilem = 5 - osolty.f
! ilnmom Control flag for soil - pore pressure calculation. Input data.
! ilnmom = 0 - perform only pore pressure calculation.
! = 1 - couples pore pressure - displacement analysis
! iloren Control flag for DeLorenzi J-Integral evaluation. Input data.
! inc Increment number.
! incext Control flag indicating that currently working on a
! subincrement.
! Could be due to harmonics , damping component (bearing),
! stiffness component (bearing), auto therm creep or
! old viscoplaticity
! incsub Sub-increment number.
! ipass Control flag for which part of coupled analysis.
! ipass = -1 - reset to base values
! ipass = 0 - do nothing
! ipass = 1 - stress part
! ipass = 2 - heat transfer part
! iplres Flag indicating that either second matrix is stored.
! dynamic analysis - mass matrix
! heat transfer - specific heat matrix
! buckle - initial stress stiffness
! ipois Control flag indicating Poisson type analysis
! ipois = 1 for heat transfer
! = 1 for heat transfer part of coupled
! = 1 for bearing
! = 1 for electrostatic
! = 1 for magnetostatic
! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0
! in stress portion, yet ipoist will still =1.
! irpflo global flag for rigid plastic flow analysis
! = 1 eularian formulation
! = 2 regular formulation; rigid material present in the analysis
! ismall control flag to indicate small displacement analysis. input data.
! ismall = 0 - large disp included.
! ismall = 1 - small displacement.
! the flag is changing between passes.
! ismalt permanent copy of ismall . in heat transfer portion of
! coupled analysis ismall =0 , but ismalt remains the same.
! isoil control flag indicating that soil / pore pressure
! calculation . input data.
! ispect control flag for response spectrum calculation. input data.
! ispnow control flag to indicate to perform a spectrum response
! calculation now.
! istore store stresses flag.
! istore = 0 in elem.f and if first pass of creep
! convergence checking in ogetst.f
! or harmonic analysis or thruc.f if not
! converged.
! iswep control flag for eigenvalue analysis.
! iswep=1 - go do extraction process
! ithcrp control flag for auto therm creep option. input data.
! itherm control flag for either temperature dependent material
! properties and/or thermal loads.
! iupblg control flag for follower force option. input data.
! iupdat control flag for update lagrange option for current element.
! jacflg control flag for lanczos iteration method. input data.
! jel control flag indicating that total load applied in
! increment, ignore previous solution.
! jel = 1 in increment 0
! = 1 if elastic or fourier
! = 1 in subincrements with elastic and adaptive
! jparks control flag for j integral by parks method. input data.
! largst control flag for finite strain plasticity. input data.
! lfond control variable that indicates if doing elastic
! foundation or film calculation. influences whether
! this is volumetric or surface integration.
! loadup control flag that indicates that nonlinearity occurred
! during previous increment.
! loaduq control flag that indicates that nonlinearity occurred.
! lodcor control flag for switching on the residual load correction.
! notice in input stage lodcor=0 means no loadcor,
! after omarc lodcor=1 means no loadcor
! lovl control flag for determining which "overlay" is to
! be called from ellib.
! lovl = 1 omarc
! = 2 oaread
! = 3 opress
! = 4 oasemb
! = 5 osolty
! = 6 ogetst
! = 7 oscinc
! = 8 odynam
! = 9 opmesh
! = 10 omesh2
! = 11 osetz
! = 12 oass
! = 13 oincdt
! = 14 oasmas
! = 15 ofluas
! = 16 ofluso
! = 17 oshtra
! = 18 ocass
! = 19 osoltc
! = 20 orezon
! = 21 otest
! = 22 oeigen
! lsub control variable to determine which part of element
! assembly function is being done.
! lsub = 1 - no longer used
! = 2 - beta*
! = 3 - cons*
! = 4 - ldef*
! = 5 - posw*
! = 6 - theta*
! = 7 - tmarx*
! = 8 - geom*
! magnet control flag for magnetostatic analysis. input data.
! ncycle cycle number. accumulated in osolty.f
! note first time through oasemb.f , ncycle = 0.
! newtnt control flag for permanent copy of newton.
! newton iteration type. input data.
! newton : = 1 full newton raphson
! 2 modified newton raphson
! 3 newton raphson with strain correct.
! 4 direct substitution
! 5 direct substitution followed by n.r.
! 6 direct substitution with line search
! 7 full newton raphson with secant initial stress
! 8 secant method
! 9 full newton raphson with line search
! noshr control flag for calculation interlaminar shears for
! elements 22,45, and 75. input data.
!ees
!
! jactch = 1 or 2 if elements are activated or deactivated
! = 3 if elements are adaptively remeshed or rezoned
! = 0 normally / reset to 0 when assembly is done
! ifricsh = 0 call to fricsh in otest not needed
! = 1 call to fricsh (nodal friction) in otest needed
! iremkin = 0 remove deactivated kinematic boundary conditions
! immediately - only in new input format (this is default)
! = 1 remove deactivated kinematic boundary conditions
! gradually - only in new input format
! iremfor = 0 remove force boundary conditions immediately -
! only in new input format (this is default)
! = 1 remove force boundary conditions gradually -
! only in new input format (this is default)
! ishearp set to 1 if shear panel elements are present in the model
!
! jspf = 0 not in spf loadcase
! > 0 in spf loadcase (jspf=1 during first increment)
! machining = 1 if the metal cutting feature is used, for memory allocation purpose
! = 0 (default) if no metal cutting feature required
!
! jlshell = 1 if there is a shell element in the mesh
! icompsol = 1 if there is a composite solid element in the mesh
! iupblgfo = 1 if follower force for point loads
! jcondir = 1 if contact priority option is used
! nstcrp = 0 (default) steady state creep flag (undocumented feature.
! if not 0, turns off special ncycle = 0 code in radial.f)
! nactive = number of active passes, if =1 then it's not a coupled analysis
! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref
! icheckmpc = value of mpc-check parameter option
! noline = set to 1 in osolty if no line seacrh should be done in ogetst
! icuring = set to 1 if the curing is included for the heat transfer analysis.
! ishrink = set to 1 if shrinkage strain is included for mechancial analysis.
! ioffsflg = 1 for small displacement beam/shell offsets
! = 2 for large displacement beam/shell offsets
! isetoff = 0 - do not apply beam/shell offsets
! = 1 - apply beam/shell offsets
! ioffsetm = min. value of offset flag
! iharmt = 1 global flag if a coupled analysis contains an harmonic pass
! inc_incdat = flag to record increment number of a new loadcase in incdat.f
! iautspc = flag for AutoSPC option
! ibrake = brake squeal in this increment
! icbush = set to 1 if cbush elements present in model
! istream_input = set to 1 for streaming input calling Marc as library
! iprsinp = set to 1 if pressure input, introduced so other variables
! such as h could be a function of pressure
! ivlsinp = set to 1 if velocity input, introduced so other variables
! such as h could be a function of velocity
! ipin_m = # of beam element with PIN flag
! jgnstr_glb = global control over pre or fast integrated composite shells
! imarc_return = Marc return flag for streaming input control
! iqvcimp = if non-zero, then the number of QVECT boundary conditions
! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered
! istpnx = 1 if to stop at end of increment
! imicro1 = 1 if micro1 interface is used
! iaxisymm = set to 1 if axisymmetric analysis
! jbreakglue = set to 1 if breaking glued option is used
! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9)
! jfastasm = 1 do fast assembly using SuperForm code
! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated
! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation
! imixmeth = set=1 then use nonlinear mixture material - allocate memory
! ielcmadyn = flag for magnetodynamics
! 0 - electromagnetics using newmark beta
! 1 - transient magnetics using backward euler
! idinout = flag to control if inside out elements should be deactivated
! igena_meth = 0 - generalized alpha parameters depend on whether or not contact
! is flagged (dynamic,7)
! 10 - generalized alpha parameters are optimized for a contact
! analysis (dynamic,8)
! 11 - generalized alpha parameters are optimized for an analysis
! without contact (dynamic,8)
! magf_meth = - Method to compute force in magnetostatic - structural
! = 1 - Virtual work method based on finite difference for the force computation
! = 2 - Maxwell stress tensor
! = 3 - Virtual work method based on local derivative for the force computation
! non_assumed = 1 no assumed strain formulation (forced)
! iredoboudry set to 1 if contact boundary needs to be recalculated
! ioffsz0 = 1 if composite are used with reference position.ne.0
! icomplt = 1 global flag if a coupled analysis contains an complex pass
! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural
! one for magnetodynamic and the other for the remaining passes
! iactrp = 1 in an analysis with global remeshing, include inactive
! rigid bodies on post file
! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass
!
! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading)
! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb
! iaem = 1 if marc is called from aem (0 - off - default)
! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC)
! inodels = 1 nodal integration elements 239/240/241 present
! nlharm = 0 harmonic subincrements are linear
! = 1 harmonic subincrements are nonlinear
! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default)
! = 1 zero amplitude is initial estimate
! iphasetr = 1 phase transformation material model is used
! iforminp flag indicating that contact is switched on via the CONTACT
! option in the input file (as opposed to the case that contact
! is switched on internally due to cyclic symmetry or model
! section creation)
! ispecerror = a+10*b (only for spectrum response analysis with missing mass option)
! a=0 or a=1 (modal shape with non-zero shift)
! b=0 or b=1 (recover with new assembly of stiffness matrix)
!
!***********************************************************************
!$omp threadprivate(/marc_concom/)
!!

66
src/MarcInclude/creeps2016
View File

@ -1,66 +0,0 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: creeps.cmn
!
! MSC.Marc include file
!
real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b
integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,&
icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst
real(pReal) fraction_donn,timinc_ol2
!
integer(pInt) num_creepsr,num_creepsi,num_creeps2r
parameter(num_creepsr=7)
parameter(num_creepsi=17)
parameter(num_creeps2r=6)
common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,&
icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2
!
! cptim Total time at begining of increment.
! timinc Incremental time for this step.
! icfte Local copy number of slopes of creep strain rate function
! versus temperature. Is -1 if exponent law used.
! icfst Local copy number of slopes of creep strain rate function
! versus equivalent stress. Is -1 if exponent law used.
! icfeq Local copy number of slopes of creep strain rate function
! versus equivalent strain. Is -1 if exponent law used.
! icftm Local copy number of slopes of creep strain rate function
! versus time. Is -1 if exponent law used.
! icetem Element number that needs to be checked for creep convergence
! or, if negative, the number of elements that need to
! be checked. In the latter case the elements to check
! are stored in ielcp.
! mcreep Maximum nuber of iterations for explicit creep.
! jcreep Counter of number of iterations for explicit creep
! procedure. jcreep must be .le. mcreep
! icpa Pointer to constant in creep strain rate expression.
! icftmp Pointer to temperature dependent creep strain rate data.
! icfstr Pointer to equivalent stress dependent creep strain rate data.
! icfqcp Pointer to equivalent creep strain dependent creep strain
! rate data.
! icfcpm Pointer to equivalent creep strain rate dependent
! creep strain rate data.
! icrppr Permanent copy of icreep
! icrcha Control flag for creep convergence checking , if set to
! 1 then testing on absolute change in stress and creep
! strain, not relative testing. Input data.
! icpb Pointer to storage of material id cross reference numbers.
! iicpmt
! iicpa Pointer to constant in creep strain rate expression
!
! time_beg_lcase time at the beginning of the current load case
! time_beg_inc time at the beginning of the current increment
! fractol fraction of loadcase or increment time when we
! consider it to be finished
! time_beg_pst time corresponding to first increment to be
! read in from thermal post file for auto step
!
! timinc_old Time step of the previous increment
!
!***********************************************************************
!!$omp threadprivate(/marc_creeps/)
!!$omp threadprivate(/marc_creeps2/)
!!

66
src/MarcInclude/creeps2017
View File

@ -1,66 +0,0 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: creeps.cmn
!
! MSC.Marc include file
!
real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b
integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,&
icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst
real(pReal) fraction_donn,timinc_ol2
!
integer(pInt) num_creepsr,num_creepsi,num_creeps2r
parameter(num_creepsr=7)
parameter(num_creepsi=17)
parameter(num_creeps2r=6)
common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,&
icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2
!
! cptim Total time at begining of increment.
! timinc Incremental time for this step.
! icfte Local copy number of slopes of creep strain rate function
! versus temperature. Is -1 if exponent law used.
! icfst Local copy number of slopes of creep strain rate function
! versus equivalent stress. Is -1 if exponent law used.
! icfeq Local copy number of slopes of creep strain rate function
! versus equivalent strain. Is -1 if exponent law used.
! icftm Local copy number of slopes of creep strain rate function
! versus time. Is -1 if exponent law used.
! icetem Element number that needs to be checked for creep convergence
! or, if negative, the number of elements that need to
! be checked. In the latter case the elements to check
! are stored in ielcp.
! mcreep Maximum nuber of iterations for explicit creep.
! jcreep Counter of number of iterations for explicit creep
! procedure. jcreep must be .le. mcreep
! icpa Pointer to constant in creep strain rate expression.
! icftmp Pointer to temperature dependent creep strain rate data.
! icfstr Pointer to equivalent stress dependent creep strain rate data.
! icfqcp Pointer to equivalent creep strain dependent creep strain
! rate data.
! icfcpm Pointer to equivalent creep strain rate dependent
! creep strain rate data.
! icrppr Permanent copy of icreep
! icrcha Control flag for creep convergence checking , if set to
! 1 then testing on absolute change in stress and creep
! strain, not relative testing. Input data.
! icpb Pointer to storage of material id cross reference numbers.
! iicpmt
! iicpa Pointer to constant in creep strain rate expression
!
! time_beg_lcase time at the beginning of the current load case
! time_beg_inc time at the beginning of the current increment
! fractol fraction of loadcase or increment time when we
! consider it to be finished
! time_beg_pst time corresponding to first increment to be
! read in from thermal post file for auto step
!
! timinc_old Time step of the previous increment
!
!***********************************************************************
!!$omp threadprivate(/marc_creeps/)
!!$omp threadprivate(/marc_creeps2/)
!!

8
src/commercialFEM_fileList.f90
View File

@ -9,10 +9,6 @@
#include "list.f90"
#include "future.f90"
#include "config.f90"
#ifdef DAMASKHDF5
#include "HDF5_utilities.f90"
#include "results.f90"
#endif
#include "math.f90"
#include "quaternions.f90"
#include "Lambert.f90"
@ -26,6 +22,10 @@
#ifdef Marc4DAMASK
#include "mesh_marc.f90"
#endif
#ifdef DAMASK_HDF5
#include "HDF5_utilities.f90"
#include "results.f90"
#endif
#include "material.f90"
#include "lattice.f90"
#include "source_thermal_dissipation.f90"

15
src/config.f90
View File

@ -231,15 +231,21 @@ end function read_materialConfig
!--------------------------------------------------------------------------------------------------
subroutine parse_materialConfig(sectionNames,part,line, &
fileContent)
use prec, only: &
pStringLen
use IO, only: &
IO_intOut
implicit none
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
character(len=pStringLen), intent(inout) :: line
character(len=pStringLen), dimension(:), intent(in) :: fileContent
integer, allocatable, dimension(:) :: partPosition ! position of [] tags + last line in section
integer :: i, j
logical :: echo
integer, allocatable, dimension(:) :: partPosition !< position of [] tags + last line in section
integer :: i, j
logical :: echo
character(len=pStringLen) :: section_ID
echo = .false.
@ -263,7 +269,8 @@ subroutine parse_materialConfig(sectionNames,part,line, &
partPosition = [partPosition, i] ! needed when actually storing content
do i = 1, size(partPosition) -1
sectionNames(i) = trim(adjustl(IO_getTag(fileContent(partPosition(i)),'[',']')))
write(section_ID,'('//IO_intOut(size(partPosition))//')') i
sectionNames(i) = trim(section_ID)//'_'//trim(adjustl(IO_getTag(fileContent(partPosition(i)),'[',']')))
do j = partPosition(i) + 1, partPosition(i+1) -1
call part(i)%add(trim(adjustl(fileContent(j))))
enddo

147
src/constitutive.f90
View File

@ -9,7 +9,7 @@ module constitutive
implicit none
private
integer(pInt), public, protected :: &
integer, public, protected :: &
constitutive_plasticity_maxSizePostResults, &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizePostResults, &
@ -37,7 +37,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates arrays pointing to array of the various constitutive modules
!--------------------------------------------------------------------------------------------------
subroutine constitutive_init()
subroutine constitutive_init
use prec, only: &
pReal
use debug, only: &
@ -50,8 +50,7 @@ subroutine constitutive_init()
IO_write_jobFile
use config, only: &
material_Nphase, &
phase_name, &
config_deallocate
phase_name
use material, only: &
material_phase, &
phase_plasticity, &
@ -111,14 +110,14 @@ subroutine constitutive_init()
use kinematics_thermal_expansion
implicit none
integer(pInt), parameter :: FILEUNIT = 204_pInt
integer(pInt) :: &
integer, parameter :: FILEUNIT = 204
integer :: &
o, & !< counter in output loop
ph, & !< counter in phase loop
s, & !< counter in source loop
ins !< instance of plasticity/source
integer(pInt), dimension(:,:), pointer :: thisSize
integer, dimension(:,:), pointer :: thisSize
character(len=64), dimension(:,:), pointer :: thisOutput
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
logical :: knownPlasticity, knownSource, nonlocalConstitutionPresent
@ -149,15 +148,13 @@ subroutine constitutive_init()
if (any(phase_kinematics == KINEMATICS_slipplane_opening_ID)) call kinematics_slipplane_opening_init
if (any(phase_kinematics == KINEMATICS_thermal_expansion_ID)) call kinematics_thermal_expansion_init
call config_deallocate('material.config/phase')
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
mainProcess: if (worldrank == 0) then
!--------------------------------------------------------------------------------------------------
! write description file for constitutive output
call IO_write_jobFile(FILEUNIT,'outputConstitutive')
PhaseLoop: do ph = 1_pInt,material_Nphase
PhaseLoop: do ph = 1,material_Nphase
activePhase: if (any(material_phase == ph)) then
ins = phase_plasticityInstance(ph)
knownPlasticity = .true. ! assume valid
@ -197,14 +194,14 @@ subroutine constitutive_init()
if (knownPlasticity) then
write(FILEUNIT,'(a)') '(plasticity)'//char(9)//trim(outputName)
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then
OutputPlasticityLoop: do o = 1_pInt,size(thisOutput(:,ins))
if(len(trim(thisOutput(o,ins))) > 0_pInt) &
OutputPlasticityLoop: do o = 1,size(thisOutput(:,ins))
if(len(trim(thisOutput(o,ins))) > 0) &
write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
enddo OutputPlasticityLoop
endif
endif
SourceLoop: do s = 1_pInt, phase_Nsources(ph)
SourceLoop: do s = 1, phase_Nsources(ph)
knownSource = .true. ! assume valid
sourceType: select case (phase_source(s,ph))
case (SOURCE_thermal_dissipation_ID) sourceType
@ -242,8 +239,8 @@ subroutine constitutive_init()
end select sourceType
if (knownSource) then
write(FILEUNIT,'(a)') '(source)'//char(9)//trim(outputName)
OutputSourceLoop: do o = 1_pInt,size(thisOutput(:,ins))
if(len(trim(thisOutput(o,ins))) > 0_pInt) &
OutputSourceLoop: do o = 1,size(thisOutput(:,ins))
if(len(trim(thisOutput(o,ins))) > 0) &
write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
enddo OutputSourceLoop
endif
@ -253,17 +250,17 @@ subroutine constitutive_init()
close(FILEUNIT)
endif mainProcess
constitutive_plasticity_maxSizeDotState = 0_pInt
constitutive_plasticity_maxSizePostResults = 0_pInt
constitutive_source_maxSizeDotState = 0_pInt
constitutive_source_maxSizePostResults = 0_pInt
constitutive_plasticity_maxSizeDotState = 0
constitutive_plasticity_maxSizePostResults = 0
constitutive_source_maxSizeDotState = 0
constitutive_source_maxSizePostResults = 0
PhaseLoop2:do ph = 1_pInt,material_Nphase
PhaseLoop2:do ph = 1,material_Nphase
!--------------------------------------------------------------------------------------------------
! partition and inititalize state
plasticState(ph)%partionedState0 = plasticState(ph)%state0
plasticState(ph)%state = plasticState(ph)%partionedState0
forall(s = 1_pInt:phase_Nsources(ph))
forall(s = 1:phase_Nsources(ph))
sourceState(ph)%p(s)%partionedState0 = sourceState(ph)%p(s)%state0
sourceState(ph)%p(s)%state = sourceState(ph)%p(s)%partionedState0
end forall
@ -302,7 +299,7 @@ function constitutive_homogenizedC(ipc,ip,el)
implicit none
real(pReal), dimension(6,6) :: constitutive_homogenizedC
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -341,14 +338,14 @@ subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
plastic_disloUCLA_dependentState
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient
Fp !< plastic deformation gradient
integer(pInt) :: &
integer :: &
ho, & !< homogenization
tme, & !< thermal member position
instance, of
@ -412,7 +409,7 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
plastic_nonlocal_LpAndItsTangent
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -428,10 +425,10 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
dLp_dMp !< derivative of Lp with respect to Mandel stress
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress work conjugate with Lp
integer(pInt) :: &
integer :: &
ho, & !< homogenization
tme !< thermal member position
integer(pInt) :: &
integer :: &
i, j, instance, of
ho = material_homogenizationAt(el)
@ -519,7 +516,7 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
kinematics_thermal_expansion_LiAndItsTangent
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -541,7 +538,7 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
my_dLi_dS
real(pReal) :: &
detFi
integer(pInt) :: &
integer :: &
k, i, j, &
instance, of
@ -562,7 +559,7 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1_pInt, phase_Nkinematics(material_phase(ipc,ip,el))
KinematicsLoop: do k = 1, phase_Nkinematics(material_phase(ipc,ip,el))
kinematicsType: select case (phase_kinematics(k,material_phase(ipc,ip,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ipc, ip, el)
@ -583,7 +580,7 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li)
do i = 1_pInt,3_pInt; do j = 1_pInt,3_pInt
do i = 1,3; do j = 1,3
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
@ -612,22 +609,22 @@ pure function constitutive_initialFi(ipc, ip, el)
kinematics_thermal_expansion_initialStrain
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), dimension(3,3) :: &
constitutive_initialFi !< composite initial intermediate deformation gradient
integer(pInt) :: &
integer :: &
k !< counter in kinematics loop
integer(pInt) :: &
integer :: &
phase, &
homog, offset
constitutive_initialFi = math_I3
phase = material_phase(ipc,ip,el)
KinematicsLoop: do k = 1_pInt, phase_Nkinematics(phase) !< Warning: small initial strain assumption
KinematicsLoop: do k = 1, phase_Nkinematics(phase) !< Warning: small initial strain assumption
kinematicsType: select case (phase_kinematics(k,phase))
case (KINEMATICS_thermal_expansion_ID) kinematicsType
homog = material_homogenizationAt(el)
@ -650,7 +647,7 @@ subroutine constitutive_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, ipc, ip, el)
pReal
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -691,7 +688,7 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
STIFFNESS_DEGRADATION_damage_ID
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -705,19 +702,19 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
real(pReal), dimension(3,3) :: E
real(pReal), dimension(3,3,3,3) :: C
integer(pInt) :: &
integer :: &
ho, & !< homogenization
d !< counter in degradation loop
integer(pInt) :: &
integer :: &
i, j
ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el))
DegradationLoop: do d = 1_pInt, phase_NstiffnessDegradations(material_phase(ipc,ip,el))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phase(ipc,ip,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phase(ipc,ip,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2_pInt
C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2
end select degradationType
enddo DegradationLoop
@ -725,7 +722,7 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
dS_dFe = 0.0_pReal
forall (i=1_pInt:3_pInt, j=1_pInt:3_pInt)
forall (i=1:3, j=1:3)
dS_dFe(i,j,1:3,1:3) = &
matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
@ -790,7 +787,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
source_thermal_externalheat_dotState
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -805,7 +802,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
S !< 2nd Piola Kirchhoff stress (vector notation)
real(pReal), dimension(3,3) :: &
Mp
integer(pInt) :: &
integer :: &
ho, & !< homogenization
tme, & !< thermal member position
i, & !< counter in source loop
@ -848,7 +845,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
subdt,ip,el)
end select plasticityType
SourceLoop: do i = 1_pInt, phase_Nsources(material_phase(ipc,ip,el))
SourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
@ -900,7 +897,7 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
source_damage_isoBrittle_deltaState
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -910,7 +907,7 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
Fi !< intermediate deformation gradient
real(pReal), dimension(3,3) :: &
Mp
integer(pInt) :: &
integer :: &
i, &
instance, of
@ -928,7 +925,7 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
end select plasticityType
sourceLoop: do i = 1_pInt, phase_Nsources(material_phase(ipc,ip,el))
sourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
@ -994,7 +991,7 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
source_damage_anisoDuctile_postResults
implicit none
integer(pInt), intent(in) :: &
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
@ -1007,9 +1004,9 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
S !< 2nd Piola Kirchhoff stress
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress
integer(pInt) :: &
integer :: &
startPos, endPos
integer(pInt) :: &
integer :: &
ho, & !< homogenization
tme, & !< thermal member position
i, of, instance !< counter in source loop
@ -1021,7 +1018,7 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el)
startPos = 1_pInt
startPos = 1
endPos = plasticState(material_phase(ipc,ip,el))%sizePostResults
of = phasememberAt(ipc,ip,el)
@ -1054,8 +1051,8 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
end select plasticityType
SourceLoop: do i = 1_pInt, phase_Nsources(material_phase(ipc,ip,el))
startPos = endPos + 1_pInt
SourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
startPos = endPos + 1
endPos = endPos + sourceState(material_phase(ipc,ip,el))%p(i)%sizePostResults
of = phasememberAt(ipc,ip,el)
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
@ -1077,7 +1074,7 @@ end function constitutive_postResults
!--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine constitutive_results()
subroutine constitutive_results
use material, only: &
PLASTICITY_ISOTROPIC_ID, &
PLASTICITY_PHENOPOWERLAW_ID, &
@ -1085,7 +1082,7 @@ subroutine constitutive_results()
PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOUCLA_ID, &
PLASTICITY_NONLOCAL_ID
#if defined(PETSc) || defined(DAMASKHDF5)
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
use HDF5_utilities
use config, only: &
@ -1108,36 +1105,38 @@ subroutine constitutive_results()
use plastic_nonlocal, only: &
plastic_nonlocal_results
implicit none
integer :: p
call HDF5_closeGroup(results_addGroup('current/phase'))
do p=1,size(config_name_phase)
call HDF5_closeGroup(results_addGroup('current/phase/'//trim(config_name_phase(p))))
integer :: p
character(len=256) :: group
do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call HDF5_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic'
call HDF5_closeGroup(results_addGroup(group))
select case(material_phase_plasticity_type(p))
case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
call plastic_isotropic_results(phase_plasticityInstance(p),group)
case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
call plastic_phenopowerlaw_results(phase_plasticityInstance(p),group)
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOUCLA_ID)
call plastic_disloUCLA_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
case(PLASTICITY_DISLOUCLA_ID)
call plastic_disloUCLA_results(phase_plasticityInstance(p),group)
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),'current/phase/'//trim(config_name_phase(p)))
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),group)
end select
enddo
enddo
#endif

177
src/crystallite.f90
View File

@ -10,7 +10,8 @@
module crystallite
use prec, only: &
pReal
pReal, &
pStringLen
use rotations, only: &
rotation
use FEsolving, only: &
@ -103,6 +104,13 @@ module crystallite
end enum
integer(kind(undefined_ID)),dimension(:,:), allocatable, private :: &
crystallite_outputID !< ID of each post result output
type, private :: tOutput !< new requested output (per phase)
character(len=65536), allocatable, dimension(:) :: &
label
end type tOutput
type(tOutput), allocatable, dimension(:), private :: output_constituent
procedure(), pointer :: integrateState
public :: &
@ -111,7 +119,8 @@ module crystallite
crystallite_stressTangent, &
crystallite_orientations, &
crystallite_push33ToRef, &
crystallite_postResults
crystallite_postResults, &
crystallite_results
private :: &
integrateStress, &
integrateState, &
@ -156,6 +165,7 @@ subroutine crystallite_init
use config, only: &
config_deallocate, &
config_crystallite, &
config_phase, &
crystallite_name
use constitutive, only: &
constitutive_initialFi, &
@ -296,6 +306,18 @@ subroutine crystallite_init
end select outputName
enddo
enddo
allocate(output_constituent(size(config_phase)))
do c = 1, size(config_phase)
#if defined(__GFORTRAN__)
allocate(output_constituent(c)%label(1))
output_constituent(c)%label(1)= 'GfortranBug86277'
output_constituent(c)%label = config_phase(c)%getStrings('(output)',defaultVal=output_constituent(c)%label )
if (output_constituent(c)%label (1) == 'GfortranBug86277') output_constituent(c)%label = [character(len=pStringLen)::]
#else
output_constituent(c)%label = config_phase(c)%getStrings('(output)',defaultVal=[character(len=pStringLen)::])
#endif
enddo
do r = 1,size(config_crystallite)
@ -340,6 +362,7 @@ subroutine crystallite_init
close(FILEUNIT)
endif
call config_deallocate('material.config/phase')
call config_deallocate('material.config/crystallite')
!--------------------------------------------------------------------------------------------------
@ -1053,6 +1076,156 @@ function crystallite_postResults(ipc, ip, el)
end function crystallite_postResults
!--------------------------------------------------------------------------------------------------
!> @brief writes crystallite results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine crystallite_results
#if defined(PETSc) || defined(DAMASK_HDF5)
use lattice
use results
use HDF5_utilities
use rotations
use config, only: &
config_name_phase => phase_name ! anticipate logical name
use material, only: &
material_phase_plasticity_type => phase_plasticity
implicit none
integer :: p,o
real(pReal), allocatable, dimension(:,:,:) :: selected_tensors
type(rotation), allocatable, dimension(:) :: selected_rotations
character(len=256) :: group,lattice_label
do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))//'/generic'
call HDF5_closeGroup(results_addGroup(group))
do o = 1, size(output_constituent(p)%label)
select case (output_constituent(p)%label(o))
case('f')
selected_tensors = select_tensors(crystallite_partionedF,p)
call results_writeDataset(group,selected_tensors,'F',&
'deformation gradient','1')
case('fe')
selected_tensors = select_tensors(crystallite_Fe,p)
call results_writeDataset(group,selected_tensors,'Fe',&
'elastic deformation gradient','1')
case('fp')
selected_tensors = select_tensors(crystallite_Fp,p)
call results_writeDataset(group,selected_tensors,'Fp',&
'plastic deformation gradient','1')
case('fi')
selected_tensors = select_tensors(crystallite_Fi,p)
call results_writeDataset(group,selected_tensors,'Fi',&
'inelastic deformation gradient','1')
case('lp')
selected_tensors = select_tensors(crystallite_Lp,p)
call results_writeDataset(group,selected_tensors,'Lp',&
'plastic velocity gradient','1/s')
case('li')
selected_tensors = select_tensors(crystallite_Li,p)
call results_writeDataset(group,selected_tensors,'Li',&
'inelastic velocity gradient','1/s')
case('p')
selected_tensors = select_tensors(crystallite_P,p)
call results_writeDataset(group,selected_tensors,'P',&
'1st Piola-Kirchoff stress','Pa')
case('s')
selected_tensors = select_tensors(crystallite_S,p)
call results_writeDataset(group,selected_tensors,'S',&
'2nd Piola-Kirchoff stress','Pa')
case('orientation')
select case(lattice_structure(p))
case(LATTICE_iso_ID)
lattice_label = 'iso'
case(LATTICE_fcc_ID)
lattice_label = 'fcc'
case(LATTICE_bcc_ID)
lattice_label = 'bcc'
case(LATTICE_bct_ID)
lattice_label = 'bct'
case(LATTICE_hex_ID)
lattice_label = 'hex'
case(LATTICE_ort_ID)
lattice_label = 'ort'
end select
selected_rotations = select_rotations(crystallite_orientation,p)
call results_writeDataset(group,selected_rotations,'orientation',&
'crystal orientation as quaternion',lattice_label)
end select
enddo
enddo
contains
!--------------------------------------------------------------------------------------------------
!> @brief select tensors for output
!--------------------------------------------------------------------------------------------------
function select_tensors(dataset,instance)
use material, only: &
homogenization_maxNgrains, &
material_phaseAt
integer, intent(in) :: instance
real(pReal), dimension(:,:,:,:,:), intent(in) :: dataset
real(pReal), allocatable, dimension(:,:,:) :: select_tensors
integer :: e,i,c,j
allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains))
j=0
do e = 1, size(material_phaseAt,2)
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
do c = 1, size(material_phaseAt,1)
if (material_phaseAt(c,e) == instance) then
j = j + 1
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
endif
enddo
enddo
enddo
end function select_tensors
!--------------------------------------------------------------------------------------------------
!> @brief select rotations for output
!--------------------------------------------------------------------------------------------------
function select_rotations(dataset,instance)
use material, only: &
homogenization_maxNgrains, &
material_phaseAt
integer, intent(in) :: instance
type(rotation), dimension(:,:,:), intent(in) :: dataset
type(rotation), allocatable, dimension(:) :: select_rotations
integer :: e,i,c,j
allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains))
j=0
do e = 1, size(material_phaseAt,2)
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
do c = 1, size(material_phaseAt,1)
if (material_phaseAt(c,e) == instance) then
j = j + 1
select_rotations(j) = dataset(c,i,e)
endif
enddo
enddo
enddo
end function select_rotations
#endif
end subroutine crystallite_results
!--------------------------------------------------------------------------------------------------
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
!> intermediate acceleration of the Newton-Raphson correction

5
src/DAMASK_grid.f90 → src/grid/DAMASK_grid.f90
View File

@ -358,6 +358,11 @@ program DAMASK_spectral
enddo
close(fileUnit)
call results_openJobFile
call results_addAttribute('grid',grid,'mapping')
call results_addAttribute('size',geomSize,'mapping')
call results_closeJobFile
!--------------------------------------------------------------------------------------------------
! doing initialization depending on active solvers
call Utilities_init()

0
src/grid_damage_spectral.f90 → src/grid/grid_damage_spectral.f90
View File

0
src/grid_mech_FEM.f90 → src/grid/grid_mech_FEM.f90
View File

0
src/grid_mech_spectral_basic.f90 → src/grid/grid_mech_spectral_basic.f90
View File

0
src/grid_mech_spectral_polarisation.f90 → src/grid/grid_mech_spectral_polarisation.f90
View File

0
src/grid_thermal_spectral.f90 → src/grid/grid_thermal_spectral.f90
View File

0
src/spectral_utilities.f90 → src/grid/spectral_utilities.f90
View File

4555
src/lattice.f90
View File

File diff suppressed because it is too large Load Diff

172
src/material.f90
View File

@ -147,16 +147,14 @@ module material
damage_initialPhi !< initial damage per each homogenization
! NEW MAPPINGS
integer(pInt), dimension(:), allocatable, public, protected :: &
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
material_homogenizationMemberAt, & !< position of the element within its homogenization instance
material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT
material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT
integer(pInt), dimension(:,:), allocatable, public, protected :: &
material_phaseAt, & !< phase ID of each element
material_phaseMemberAt, & !< position of the element within its phase instance
material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT
material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT
integer, dimension(:), allocatable, public, protected :: & ! (elem)
material_homogenizationAt !< homogenization ID of each element (copy of mesh_homogenizationAt)
integer, dimension(:,:), allocatable, public, protected :: & ! (ip,elem)
material_homogenizationMemberAt !< position of the element within its homogenization instance
integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem)
material_phaseAt !< phase ID of each element
integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,ip,elem)
material_phaseMemberAt !< position of the element within its phase instance
! END NEW MAPPINGS
! DEPRECATED: use material_phaseAt
@ -275,7 +273,10 @@ contains
!> @details figures out if solverJobName.materialConfig is present, if not looks for
!> material.config
!--------------------------------------------------------------------------------------------------
subroutine material_init()
subroutine material_init
#if defined(PETSc) || defined(DAMASK_HDF5)
use results
#endif
use IO, only: &
IO_error
use debug, only: &
@ -382,21 +383,57 @@ subroutine material_init()
endif debugOut
call material_populateGrains
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! new mappings
allocate(material_homogenizationAt,source=theMesh%homogenizationAt)
allocate(material_homogenizationMemberAt(theMesh%elem%nIPs,theMesh%Nelems),source=0)
allocate(CounterHomogenization(size(config_homogenization)),source=0)
do e = 1, theMesh%Nelems
do i = 1, theMesh%elem%nIPs
CounterHomogenization(material_homogenizationAt(e)) = &
CounterHomogenization(material_homogenizationAt(e)) + 1
material_homogenizationMemberAt(i,e) = CounterHomogenization(material_homogenizationAt(e))
enddo
enddo
allocate(material_phaseAt(homogenization_maxNgrains,theMesh%Nelems), source=material_phase(:,1,:))
allocate(material_phaseMemberAt(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0)
allocate(CounterPhase(size(config_phase)),source=0)
do e = 1, theMesh%Nelems
do i = 1, theMesh%elem%nIPs
do c = 1, homogenization_maxNgrains
CounterPhase(material_phaseAt(c,e)) = &
CounterPhase(material_phaseAt(c,e)) + 1
material_phaseMemberAt(c,i,e) = CounterPhase(material_phaseAt(c,e))
enddo
enddo
enddo
#if defined(PETSc) || defined(DAMASK_HDF5)
call results_openJobFile
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,phase_name)
call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,homogenization_name)
call results_closeJobFile
#endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! BEGIN DEPRECATED
allocate(phaseAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenization (2, theMesh%elem%nIPs,theMesh%Nelems),source=0_pInt)
allocate(mappingHomogenizationConst( theMesh%elem%nIPs,theMesh%Nelems),source=1_pInt)
! END DEPRECATED
allocate(material_homogenizationAt,source=theMesh%homogenizationAt)
allocate(material_AggregateAt, source=theMesh%homogenizationAt)
allocate(CounterPhase (size(config_phase)), source=0_pInt)
allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt)
CounterHomogenization=0
CounterPhase =0
! BEGIN DEPRECATED
do e = 1_pInt,theMesh%Nelems
myHomog = theMesh%homogenizationAt(e)
do i = 1_pInt, theMesh%elem%nIPs
@ -819,34 +856,9 @@ subroutine material_parseTexture
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
endif
if (config_texture(t)%keyExists('symmetry')) then
select case (config_texture(t)%getString('symmetry'))
case('orthotropic')
texture_symmetry(t) = 4_pInt
case('monoclinic')
texture_symmetry(t) = 2_pInt
case default
texture_symmetry(t) = 1_pInt
end select
endif
if (config_texture(t)%keyExists('(random)')) then
strings = config_texture(t)%getStrings('(random)',raw=.true.)
do i = 1_pInt, size(strings)
gauss = gauss + 1_pInt
texture_Gauss(1:3,gauss,t) = math_sampleRandomOri()
chunkPos = IO_stringPos(strings(i))
do j = 1_pInt,3_pInt,2_pInt
select case (IO_stringValue(strings(i),chunkPos,j))
case('scatter')
texture_Gauss(4,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('fraction')
texture_Gauss(5,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)
end select
enddo
enddo
endif
if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
if (config_texture(t)%keyExists('(gauss)')) then
gauss = gauss + 1_pInt
@ -869,31 +881,6 @@ subroutine material_parseTexture
enddo
enddo
endif
if (config_texture(t)%keyExists('(fiber)')) then
fiber = fiber + 1_pInt
strings = config_texture(t)%getStrings('(fiber)',raw= .true.)
do i = 1_pInt, size(strings)
chunkPos = IO_stringPos(strings(i))
do j = 1_pInt,11_pInt,2_pInt
select case (IO_stringValue(strings(i),chunkPos,j))
case('alpha1')
texture_Fiber(1,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('alpha2')
texture_Fiber(2,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('beta1')
texture_Fiber(3,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('beta2')
texture_Fiber(4,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('scatter')
texture_Fiber(5,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('fraction')
texture_Fiber(6,fiber,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)
end select
enddo
enddo
endif
enddo
call config_deallocate('material.config/texture')
@ -1003,11 +990,7 @@ subroutine material_populateGrains
math_RtoEuler, &
math_EulerToR, &
math_mul33x33, &
math_range, &
math_sampleRandomOri, &
math_sampleGaussOri, &
math_sampleFiberOri, &
math_symmetricEulers
math_range
use mesh, only: &
theMesh, &
mesh_ipVolume
@ -1189,28 +1172,12 @@ subroutine material_populateGrains
! has texture components
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
texture_Gauss( 4,t,textureID))
orientationOfGrain(:,grain+constituentGrain+g) = texture_Gauss(1:3,t,textureID)
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
enddo gauss
fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
texture_Fiber(3:4,t,textureID),&
texture_Fiber( 5,t,textureID))
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent
enddo fiber
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
enddo random
!--------------------------------------------------------------------------------------------------
! ...texture transformation
@ -1224,25 +1191,6 @@ subroutine material_populateGrains
)
enddo
!--------------------------------------------------------------------------------------------------
! ...sample symmetry
symExtension = texture_symmetry(textureID) - 1_pInt
if (symExtension > 0_pInt) then ! sample symmetry (number of additional equivalent orientations)
constituentGrain = myNorientations ! start right after "real" orientations
do j = 1_pInt,myNorientations ! loop over each "real" orientation
symOrientation = math_symmetricEulers(texture_symmetry(textureID), &
orientationOfGrain(1:3,grain+j)) ! get symmetric equivalents
e = min(symExtension,NgrainsOfConstituent(i)-constituentGrain) ! do not overshoot end of constituent grain array
if (e > 0_pInt) then
orientationOfGrain(1:3,grain+constituentGrain+1: &
grain+constituentGrain+e) = &
symOrientation(1:3,1:e)
constituentGrain = constituentGrain + e ! remainder shrinks by e
endif
enddo
endif
!--------------------------------------------------------------------------------------------------
! shuffle grains within current constituent

0
src/DAMASK_FEM.f90 → src/mesh/DAMASK_FEM.f90
View File

0
src/FEM_mech.f90 → src/mesh/FEM_mech.f90
View File

0
src/FEM_utilities.f90 → src/mesh/FEM_utilities.f90
View File

0
src/FEM_zoo.f90 → src/mesh/FEM_zoo.f90
View File

2
src/numerics.f90
View File

@ -21,7 +21,7 @@ module numerics
pert_method = 1_pInt, & !< method used in perturbation technique for tangent
randomSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
worldsize = 0_pInt, & !< MPI worldsize (/=0 for MPI simulations only)
worldsize = 1_pInt, & !< MPI worldsize (/=1 for MPI simulations only)
numerics_integrator = 1_pInt !< method used for state integration Default 1: fix-point iteration
integer(4), protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive

43
src/plastic_disloUCLA.f90
View File

@ -134,7 +134,6 @@ subroutine plastic_disloUCLA_init()
config_phase
use lattice
implicit none
integer :: &
Ninstance, &
p, i, &
@ -208,9 +207,9 @@ subroutine plastic_disloUCLA_init()
prm%nonSchmid_neg = prm%Schmid
endif
prm%h_sl_sl = transpose(lattice_interaction_SlipBySlip(prm%N_sl, &
prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
@ -361,7 +360,6 @@ end subroutine plastic_disloUCLA_init
!--------------------------------------------------------------------------------------------------
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -411,7 +409,6 @@ subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
PI, &
math_clip
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -472,7 +469,6 @@ end subroutine plastic_disloUCLA_dotState
!--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dependentState(instance,of)
implicit none
integer, intent(in) :: &
instance, &
of
@ -507,7 +503,6 @@ function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
PI, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -560,23 +555,40 @@ end function plastic_disloUCLA_postResults
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer, intent(in) :: instance
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (rho_mob_ID)
call results_writeDataset(group,stt%rho_mob,'rho_mob',&
'mobile dislocation density','1/m²')
case (rho_dip_ID)
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
'dislocation dipole density''1/m²')
case (dot_gamma_sl_ID)
call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
'plastic shear','1')
case (Lambda_sl_ID)
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
'mean free path for slip','m')
case (thresholdstress_ID)
call results_writeDataset(group,dst%threshold_stress,'threshold_stress',&
'threshold stress for slip','Pa')
end select
enddo outputsLoop
end associate
#else
integer, intent(in) :: instance
character(len=*) :: group
integer, intent(in) :: instance
character(len=*), intent(in) :: group
#endif
end subroutine plastic_disloUCLA_results
@ -598,7 +610,6 @@ pure subroutine kinetics(Mp,T,instance,of, &
PI, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &

101
src/plastic_dislotwin.f90
View File

@ -148,7 +148,7 @@ module plastic_dislotwin
type(tDislotwinState), allocatable, dimension(:), private :: &
dotState, &
state
type(tDislotwinMicrostructure), allocatable, dimension(:), private :: microstructure
type(tDislotwinMicrostructure), allocatable, dimension(:), private :: dependentState
public :: &
plastic_dislotwin_init, &
@ -198,7 +198,6 @@ subroutine plastic_dislotwin_init
config_phase
use lattice
implicit none
integer :: &
Ninstance, &
p, i, &
@ -241,14 +240,14 @@ subroutine plastic_dislotwin_init
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(microstructure(Ninstance))
allocate(dependentState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
dst => microstructure(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
prm%aTol_rho = config%getFloat('atol_rho', defaultVal=0.0_pReal)
@ -268,9 +267,9 @@ subroutine plastic_dislotwin_init
slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = transpose(lattice_interaction_SlipBySlip(prm%N_sl, &
prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
@ -332,9 +331,9 @@ subroutine plastic_dislotwin_init
if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_tw_tw = transpose(lattice_interaction_TwinByTwin(prm%N_tw,&
prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,&
config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw))
prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw))
@ -374,15 +373,15 @@ subroutine plastic_dislotwin_init
prm%b_tr = config%getFloats('transburgers')
prm%b_tr = math_expand(prm%b_tr,prm%N_tr)
prm%h = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%gamma_fcc_hex = config%getFloat('deltag')
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = config%getFloat('l0_trans')
prm%h = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%gamma_fcc_hex = config%getFloat('deltag')
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = config%getFloat('l0_trans')
prm%h_tr_tr = transpose(lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure')))
prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure'))
prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, &
config%getString('trans_lattice_structure'), &
@ -390,7 +389,7 @@ subroutine plastic_dislotwin_init
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr, &
prm%P_tr = lattice_SchmidMatrix_trans(prm%N_tr, &
config%getString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
@ -416,16 +415,16 @@ subroutine plastic_dislotwin_init
endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h_sl_tw = transpose(lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,&
prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%sum_N_tw > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6]
endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then
prm%h_sl_tr = transpose(lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,&
prm%h_sl_tr = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,&
config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6]
endif
@ -605,7 +604,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
phase_plasticityInstance, &
phasememberAt
implicit none
real(pReal), dimension(6,6) :: &
homogenizedC
integer, intent(in) :: &
@ -653,7 +651,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
math_symmetric33, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(in) :: Mp
@ -776,7 +773,6 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
math_mul33xx33, &
PI
implicit none
real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -801,7 +797,7 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
dot_gamma_tr
associate(prm => param(instance), stt => state(instance), &
dot => dotstate(instance), dst => microstructure(instance))
dot => dotstate(instance), dst => dependentState(instance))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
@ -869,7 +865,6 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
use math, only: &
PI
implicit none
integer, intent(in) :: &
instance, &
of
@ -897,7 +892,7 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
associate(prm => param(instance),&
stt => state(instance),&
dst => microstructure(instance))
dst => dependentState(instance))
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of))
@ -987,7 +982,6 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
PI, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3),intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
@ -1002,7 +996,7 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
integer :: &
o,c,j
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
c = 0
@ -1063,20 +1057,52 @@ end function plastic_dislotwin_postResults
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (rho_mob_ID)
call results_writeDataset(group,stt%rho_mob,'rho_mob',&
'mobile dislocation density','1/m²')
case (rho_dip_ID)
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
'dislocation dipole density''1/m²')
case (dot_gamma_sl_ID)
call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
'plastic shear','1')
case (Lambda_sl_ID)
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
'mean free path for slip','m')
case (threshold_stress_slip_ID)
call results_writeDataset(group,dst%tau_pass,'tau_pass',&
'passing stress for slip','Pa')
case (f_tw_ID)
call results_writeDataset(group,stt%f_tw,'f_tw',&
'twinned volume fraction','m³/m³')
case (Lambda_tw_ID)
call results_writeDataset(group,dst%Lambda_tw,'Lambda_tw',&
'mean free path for twinning','m')
case (tau_hat_tw_ID)
call results_writeDataset(group,dst%tau_hat_tw,'tau_hat_tw',&
'threshold stress for twinning','Pa')
case (f_tr_ID)
call results_writeDataset(group,stt%f_tr,'f_tr',&
'martensite volume fraction','m³/m³')
end select
enddo outputsLoop
end associate
#else
integer, intent(in) :: instance
character(len=*) :: group
@ -1100,7 +1126,6 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -1130,7 +1155,7 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
tau_eff !< effective resolved stress
integer :: i
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do i = 1, prm%sum_N_sl
tau(i) = math_mul33xx33(Mp,prm%P_sl(1:3,1:3,i))
@ -1179,7 +1204,6 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -1203,7 +1227,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do i = 1, prm%sum_N_tw
tau(i) = math_mul33xx33(Mp,prm%P_tw(1:3,1:3,i))
@ -1251,7 +1275,6 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -1275,7 +1298,7 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => microstructure(instance))
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do i = 1, prm%sum_N_tr
tau(i) = math_mul33xx33(Mp,prm%P_tr(1:3,1:3,i))

28
src/plastic_isotropic.f90
View File

@ -108,7 +108,6 @@ subroutine plastic_isotropic_init
config_phase
use lattice
implicit none
integer :: &
Ninstance, &
p, i, &
@ -259,7 +258,6 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
math_deviatoric33, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -326,7 +324,6 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar,Tstar,instance,of)
math_spherical33, &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -383,7 +380,6 @@ subroutine plastic_isotropic_dotState(Mp,instance,of)
math_mul33xx33, &
math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -410,8 +406,7 @@ subroutine plastic_isotropic_dotState(Mp,instance,of)
xi_inf_star = prm%xi_inf
else
xi_inf_star = prm%xi_inf &
+ asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2) &
)**(1.0_pReal / prm%c_3) &
+ asinh( (dot_gamma / prm%c_1)**(1.0_pReal / prm%c_2))**(1.0_pReal / prm%c_3) &
/ prm%c_4 * (dot_gamma / prm%dot_gamma_0)**(1.0_pReal / prm%n)
endif
dot%xi(of) = dot_gamma &
@ -437,7 +432,6 @@ function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
math_mul33xx33, &
math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -470,7 +464,7 @@ function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
c = c + 1
case (dot_gamma_ID)
postResults(c+1) = prm%dot_gamma_0 &
* (sqrt(1.5_pReal) * norm_Mp /(prm%M * stt%xi(of)))**prm%n
* (sqrt(1.5_pReal) * norm_Mp /(prm%M * stt%xi(of)))**prm%n
c = c + 1
end select
@ -485,23 +479,27 @@ end function plastic_isotropic_postResults
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer, intent(in) :: instance
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (xi_ID)
call results_writeDataset(group,stt%xi,'xi','resistance against plastic flow','Pa')
end select
enddo outputsLoop
end associate
#else
integer, intent(in) :: instance
character(len=*) :: group
integer, intent(in) :: instance
character(len=*), intent(in) :: group
#endif
end subroutine plastic_isotropic_results

37
src/plastic_kinematichardening.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_kinehardening_init
config_phase
use lattice
implicit none
integer :: &
Ninstance, &
p, i, o, &
@ -204,9 +203,9 @@ subroutine plastic_kinehardening_init
prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid
endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, &
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip))
prm%tau1 = config%getFloats('tau1', requiredSize=size(prm%Nslip))
@ -347,7 +346,6 @@ end subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
pure subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -390,7 +388,6 @@ end subroutine plastic_kinehardening_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -443,7 +440,6 @@ subroutine plastic_kinehardening_deltaState(Mp,instance,of)
debug_levelSelective
#endif
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -494,7 +490,6 @@ function plastic_kinehardening_postResults(Mp,instance,of) result(postResults)
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -551,10 +546,10 @@ end function plastic_kinehardening_postResults
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer :: o
@ -562,6 +557,27 @@ subroutine plastic_kinehardening_results(instance,group)
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (crss_ID)
call results_writeDataset(group,stt%crss,'xi_sl', &
'resistance against plastic slip','Pa')
case(crss_back_ID)
call results_writeDataset(group,stt%crss_back,'tau_back', &
'back stress against plastic slip','Pa')
case (sense_ID)
call results_writeDataset(group,stt%sense,'sense_of_shear','tbd','1')
case (chi0_ID)
call results_writeDataset(group,stt%chi0,'chi0','tbd','Pa')
case (gamma0_ID)
call results_writeDataset(group,stt%gamma0,'gamma0','tbd','1')
case (accshear_ID)
call results_writeDataset(group,stt%accshear,'gamma_sl', &
'plastic shear','1')
end select
enddo outputsLoop
end associate
@ -586,7 +602,6 @@ pure subroutine kinetics(Mp,instance,of, &
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &

3
src/plastic_none.f90
View File

@ -31,7 +31,6 @@ subroutine plastic_none_init
material_phase, &
plasticState
implicit none
integer :: &
Ninstance, &
p, &
@ -46,8 +45,6 @@ subroutine plastic_none_init
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_NONE_ID) cycle
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
call material_allocatePlasticState(p,NipcMyPhase,0,0,0, &
0,0,0)

51
src/plastic_nonlocal.f90
View File

@ -260,7 +260,6 @@ subroutine plastic_nonlocal_init
use config
use lattice
implicit none
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
integer, dimension(0), parameter :: emptyIntArray = [integer::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
@ -751,7 +750,6 @@ subroutine plastic_nonlocal_init
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
integer,intent(in) ::&
phase, &
@ -867,7 +865,6 @@ subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el)
LATTICE_fcc_ID, &
lattice_structure
implicit none
integer, intent(in) :: &
ip, &
el
@ -1090,7 +1087,6 @@ end subroutine plastic_nonlocal_dependentState
!--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, &
tauThreshold, c, Temperature, instance, of)
implicit none
integer, intent(in) :: &
c, & !< dislocation character (1:edge, 2:screw)
instance, of
@ -1239,7 +1235,6 @@ subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
phaseAt, phasememberAt, &
phase_plasticityInstance
implicit none
integer, intent(in) :: &
ip, & !< current integration point
el !< current element number
@ -1392,7 +1387,6 @@ subroutine plastic_nonlocal_deltaState(Mp,ip,el)
phaseAt, phasememberAt, &
phase_plasticityInstance
implicit none
integer, intent(in) :: &
ip, &
el
@ -1553,7 +1547,6 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
LATTICE_bcc_ID, &
LATTICE_fcc_ID
implicit none
integer, intent(in) :: &
ip, & !< current integration point
el !< current element number
@ -2027,7 +2020,6 @@ subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
use lattice, only: &
lattice_qDisorientation
implicit none
integer, intent(in) :: &
i, &
e
@ -2175,7 +2167,6 @@ function plastic_nonlocal_postResults(ph,instance,of) result(postResults)
use material, only: &
plasticState
implicit none
integer, intent(in) :: &
ph, &
instance, &
@ -2316,7 +2307,7 @@ outputsLoop: do o = 1,size(param(instance)%outputID)
case (rho_dot_ann_ath_ID)
postResults(cs+1:cs+ns) = results(instance)%rhoDotAthermalAnnihilation(1:ns,1,of) &
+ results(instance)%rhoDotAthermalAnnihilation(1:ns,2,of)
+ results(instance)%rhoDotAthermalAnnihilation(1:ns,2,of)
cs = cs + ns
case (rho_dot_ann_the_edge_ID)
@ -2378,7 +2369,6 @@ end function plastic_nonlocal_postResults
function getRho(instance,of,ip,el)
use mesh
implicit none
integer, intent(in) :: instance, of,ip,el
real(pReal), dimension(param(instance)%totalNslip,10) :: getRho
@ -2402,10 +2392,10 @@ end function getRho
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer :: o
@ -2413,6 +2403,39 @@ subroutine plastic_nonlocal_results(instance,group)
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (rho_sgl_mob_edg_pos_ID)
call results_writeDataset(group,stt%rho_sgl_mob_edg_pos, 'rho_sgl_mob_edg_pos', &
'positive mobile edge density','1/m²')
case (rho_sgl_imm_edg_pos_ID)
call results_writeDataset(group,stt%rho_sgl_imm_edg_pos, 'rho_sgl_imm_edg_pos',&
'positive immobile edge density','1/m²')
case (rho_sgl_mob_edg_neg_ID)
call results_writeDataset(group,stt%rho_sgl_mob_edg_neg, 'rho_sgl_mob_edg_neg',&
'negative mobile edge density','1/m²')
case (rho_sgl_imm_edg_neg_ID)
call results_writeDataset(group,stt%rho_sgl_imm_edg_neg, 'rho_sgl_imm_edg_neg',&
'negative immobile edge density','1/m²')
case (rho_dip_edg_ID)
call results_writeDataset(group,stt%rho_dip_edg, 'rho_dip_edg',&
'edge dipole density','1/m²')
case (rho_sgl_mob_scr_pos_ID)
call results_writeDataset(group,stt%rho_sgl_mob_scr_pos, 'rho_sgl_mob_scr_pos',&
'positive mobile screw density','1/m²')
case (rho_sgl_imm_scr_pos_ID)
call results_writeDataset(group,stt%rho_sgl_imm_scr_pos, 'rho_sgl_imm_scr_pos',&
'positive immobile screw density','1/m²')
case (rho_sgl_mob_scr_neg_ID)
call results_writeDataset(group,stt%rho_sgl_mob_scr_neg, 'rho_sgl_mob_scr_neg',&
'negative mobile screw density','1/m²')
case (rho_sgl_imm_scr_neg_ID)
call results_writeDataset(group,stt%rho_sgl_imm_scr_neg, 'rho_sgl_imm_scr_neg',&
'negative immobile screw density','1/m²')
case (rho_dip_scr_ID)
call results_writeDataset(group,stt%rho_dip_scr, 'rho_dip_scr',&
'screw dipole density','1/m²')
case (rho_forest_ID)
call results_writeDataset(group,stt%rho_forest, 'rho_forest',&
'forest density','1/m²')
end select
enddo outputsLoop
end associate

72
src/plastic_phenopowerlaw.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_phenopowerlaw_init
config_phase
use lattice
implicit none
integer :: &
Ninstance, &
p, i, &
@ -203,9 +202,9 @@ subroutine plastic_phenopowerlaw_init
prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip
endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, &
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip))
prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip))
@ -240,9 +239,9 @@ subroutine plastic_phenopowerlaw_init
twinActive: if (prm%totalNtwin > 0) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = transpose(lattice_interaction_TwinByTwin(prm%Ntwin,&
prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,&
config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a'))
@ -268,12 +267,12 @@ subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! slip-twin related parameters
slipAndTwinActive: if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then
prm%interaction_SlipTwin = transpose(lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,&
prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure')))
prm%interaction_TwinSlip = transpose(lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
config%getString('lattice_structure'))
prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
config%getFloats('interaction_twinslip'), &
config%getString('lattice_structure')))
config%getString('lattice_structure'))
else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%TotalNslip,prm%TotalNtwin)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%TotalNtwin,prm%TotalNslip)) ! at least one dimension is 0
@ -387,7 +386,6 @@ end subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -439,7 +437,6 @@ end subroutine plastic_phenopowerlaw_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -498,7 +495,6 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -563,28 +559,42 @@ end function plastic_phenopowerlaw_postResults
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_results(instance,group)
#if defined(PETSc) || defined(DAMASKHDF5)
use results
#if defined(PETSc) || defined(DAMASK_HDF5)
use results, only: &
results_writeDataset
implicit none
integer, intent(in) :: instance
character(len=*) :: group
integer :: o
integer, intent(in) :: instance
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (resistance_slip_ID)
call results_writeVectorDataset(group,stt%xi_slip,'xi_slip','Pa')
case (accumulatedshear_slip_ID)
call results_writeVectorDataset(group,stt%gamma_slip,'gamma_slip','-')
end select
enddo outputsLoop
end associate
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (resistance_slip_ID)
call results_writeDataset(group,stt%xi_slip, 'xi_sl', &
'resistance against plastic slip','Pa')
case (accumulatedshear_slip_ID)
call results_writeDataset(group,stt%gamma_slip,'gamma_sl', &
'plastic shear','1')
case (resistance_twin_ID)
call results_writeDataset(group,stt%xi_twin, 'xi_tw', &
'resistance against twinning','Pa')
case (accumulatedshear_twin_ID)
call results_writeDataset(group,stt%gamma_twin,'gamma_tw', &
'twinning shear','1')
end select
enddo outputsLoop
end associate
#else
integer, intent(in) :: instance
character(len=*) :: group
integer, intent(in) :: instance
character(len=*), intent(in) :: group
#endif
end subroutine plastic_phenopowerlaw_results
@ -601,7 +611,6 @@ pure subroutine kinetics_slip(Mp,instance,of, &
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
@ -678,7 +687,6 @@ pure subroutine kinetics_twin(Mp,instance,of,&
use math, only: &
math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &

31
src/quaternions.f90
View File

@ -77,11 +77,11 @@ module quaternions
procedure, private :: pow_scal__
generic, public :: operator(**) => pow_quat__, pow_scal__
procedure, private :: abs__
procedure, private :: dot_product__
procedure, private :: conjg__
procedure, private :: exp__
procedure, private :: log__
procedure, public :: abs__
procedure, public :: dot_product__
procedure, public :: conjg__
procedure, public :: exp__
procedure, public :: log__
procedure, public :: homomorphed => quat_homomorphed
@ -124,7 +124,6 @@ contains
!---------------------------------------------------------------------------------------------------
type(quaternion) pure function init__(array)
implicit none
real(pReal), intent(in), dimension(4) :: array
init__%w=array(1)
@ -140,7 +139,6 @@ end function init__
!---------------------------------------------------------------------------------------------------
elemental subroutine assign_quat__(self,other)
implicit none
type(quaternion), intent(out) :: self
type(quaternion), intent(in) :: other
@ -157,7 +155,6 @@ end subroutine assign_quat__
!---------------------------------------------------------------------------------------------------
pure subroutine assign_vec__(self,other)
implicit none
type(quaternion), intent(out) :: self
real(pReal), intent(in), dimension(4) :: other
@ -174,7 +171,6 @@ end subroutine assign_vec__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function add__(self,other)
implicit none
class(quaternion), intent(in) :: self,other
add__%w = self%w + other%w
@ -190,7 +186,6 @@ end function add__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function pos__(self)
implicit none
class(quaternion), intent(in) :: self
pos__%w = self%w
@ -206,7 +201,6 @@ end function pos__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function sub__(self,other)
implicit none
class(quaternion), intent(in) :: self,other
sub__%w = self%w - other%w
@ -222,7 +216,6 @@ end function sub__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function neg__(self)
implicit none
class(quaternion), intent(in) :: self
neg__%w = -self%w
@ -238,7 +231,6 @@ end function neg__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function mul_quat__(self,other)
implicit none
class(quaternion), intent(in) :: self, other
mul_quat__%w = self%w*other%w - self%x*other%x - self%y*other%y - self%z*other%z
@ -254,7 +246,6 @@ end function mul_quat__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function mul_scal__(self,scal)
implicit none
class(quaternion), intent(in) :: self
real(pReal), intent(in) :: scal
@ -271,7 +262,6 @@ end function mul_scal__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function div_quat__(self,other)
implicit none
class(quaternion), intent(in) :: self, other
div_quat__ = self * (conjg(other)/(abs(other)**2.0_pReal))
@ -284,7 +274,6 @@ end function div_quat__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function div_scal__(self,scal)
implicit none
class(quaternion), intent(in) :: self
real(pReal), intent(in) :: scal
@ -300,7 +289,6 @@ logical elemental function eq__(self,other)
use prec, only: &
dEq
implicit none
class(quaternion), intent(in) :: self,other
eq__ = all(dEq([ self%w, self%x, self%y, self%z], &
@ -314,7 +302,6 @@ end function eq__
!---------------------------------------------------------------------------------------------------
logical elemental function neq__(self,other)
implicit none
class(quaternion), intent(in) :: self,other
neq__ = .not. self%eq__(other)
@ -327,7 +314,6 @@ end function neq__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function pow_scal__(self,expon)
implicit none
class(quaternion), intent(in) :: self
real(pReal), intent(in) :: expon
@ -341,7 +327,6 @@ end function pow_scal__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function pow_quat__(self,expon)
implicit none
class(quaternion), intent(in) :: self
type(quaternion), intent(in) :: expon
@ -356,7 +341,6 @@ end function pow_quat__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function exp__(self)
implicit none
class(quaternion), intent(in) :: self
real(pReal) :: absImag
@ -376,7 +360,6 @@ end function exp__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function log__(self)
implicit none
class(quaternion), intent(in) :: self
real(pReal) :: absImag
@ -395,7 +378,6 @@ end function log__
!---------------------------------------------------------------------------------------------------
real(pReal) elemental function abs__(a)
implicit none
class(quaternion), intent(in) :: a
abs__ = norm2([a%w,a%x,a%y,a%z])
@ -408,7 +390,6 @@ end function abs__
!---------------------------------------------------------------------------------------------------
real(pReal) elemental function dot_product__(a,b)
implicit none
class(quaternion), intent(in) :: a,b
dot_product__ = a%w*b%w + a%x*b%x + a%y*b%y + a%z*b%z
@ -421,7 +402,6 @@ end function dot_product__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function conjg__(a)
implicit none
class(quaternion), intent(in) :: a
conjg__ = quaternion([a%w, -a%x, -a%y, -a%z])
@ -434,7 +414,6 @@ end function conjg__
!---------------------------------------------------------------------------------------------------
type(quaternion) elemental function quat_homomorphed(a)
implicit none
class(quaternion), intent(in) :: a
quat_homomorphed = quaternion(-[a%w,a%x,a%y,a%z])

1612
src/results.f90
View File

File diff suppressed because it is too large Load Diff

6
src/rotations.f90
View File

@ -777,12 +777,12 @@ pure function qu2ax(qu) result(ax)
real(pReal) :: omega, s
omega = 2.0 * acos(math_clip(qu%w,-1.0_pReal,1.0_pReal))
! if the angle equals zero, then we return the rotation axis as [001]
if (dEq0(omega)) then
ax = [ 0.0, 0.0, 1.0, 0.0 ]
if (dEq0(sqrt(qu%x**2+qu%y**2+qu%z**2))) then
ax = [ 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal ]
elseif (dNeq0(qu%w)) then
s = sign(1.0_pReal,qu%w)/sqrt(qu%x**2+qu%y**2+qu%z**2)
omega = 2.0_pReal * acos(math_clip(qu%w,-1.0_pReal,1.0_pReal))
ax = [ qu%x*s, qu%y*s, qu%z*s, omega ]
else
ax = [ qu%x, qu%y, qu%z, PI ]