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DAMASK_EICMD
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Merge branch 'development' into improve-Lp-guessing

This commit is contained in:
Martin Diehl 2019-04-30 10:43:47 +02:00
parent d8b310e78b b72b6b660e
commit 4eef54f4d2
60 changed files with 3372 additions and 4012 deletions
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3
.gitignore vendored
View File

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

9
.gitlab-ci.yml
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@ -382,13 +382,6 @@ Phenopowerlaw_singleSlip:
- master - master
- release - release
TextureComponents:
stage: grid
script: TextureComponents/test.py
except:
- master
- release
################################################################################################### ###################################################################################################
Marc_compileIfort2018_1: Marc_compileIfort2018_1:
@ -505,7 +498,7 @@ Processing:
- rm abq_addUserOutput.py marc_addUserOutput.py - rm abq_addUserOutput.py marc_addUserOutput.py
- $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py - $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
- cd $DAMASKROOT/processing/post - 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 - $DAMASKROOT/PRIVATE/documenting/scriptHelpToWiki.py --debug *.py
except: except:
- master - master

321
CMakeLists.txt
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@ -105,12 +105,13 @@ set (CMAKE_C_COMPILER "${PETSC_MPICC}")
# Now start to care about DAMASK # Now start to care about DAMASK
# DAMASK solver defines project to build # DAMASK solver defines project to build
if (DAMASK_SOLVER STREQUAL "GRID") string(TOLOWER ${DAMASK_SOLVER} DAMASK_SOLVER)
project (DAMASK_grid Fortran C) if (DAMASK_SOLVER STREQUAL "grid")
project (damask-grid Fortran C)
add_definitions (-DGrid) add_definitions (-DGrid)
message ("Building Grid Solver\n") message ("Building Grid Solver\n")
elseif (DAMASK_SOLVER STREQUAL "FEM") elseif (DAMASK_SOLVER STREQUAL "fem" OR DAMASK_SOLVER STREQUAL "mesh")
project (DAMASK_FEM Fortran C) project (damask-mesh Fortran C)
add_definitions (-DFEM) add_definitions (-DFEM)
message ("Building FEM Solver\n") message ("Building FEM Solver\n")
else () else ()
@ -138,14 +139,14 @@ elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")
endif () endif ()
# $OPTIMIZATION takes precedence over $BUILD_TYPE defaults # $OPTIMIZATION takes precedence over $BUILD_TYPE defaults
if (OPTIMIZATION STREQUAL "") if (OPTIMIZATION STREQUAL "" OR NOT DEFINED OPTIMIZATION)
set (OPTIMIZATION "${OPTI}") set (OPTIMIZATION "${OPTI}")
else () else ()
set (OPTIMIZATION "${OPTIMIZATION}") set (OPTIMIZATION "${OPTIMIZATION}")
endif () endif ()
# $OPENMP takes precedence over $BUILD_TYPE defaults # $OPENMP takes precedence over $BUILD_TYPE defaults
if (OPENMP STREQUAL "") if (OPENMP STREQUAL "" OR NOT DEFINED OPENMP)
set (OPENMP "${PARALLEL}") set (OPENMP "${PARALLEL}")
else () else ()
set(OPENMP "${OPENMP}") set(OPENMP "${OPENMP}")
@ -156,22 +157,6 @@ if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only") set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only")
endif () endif ()
# Parse DAMASK_BIN from CONFIG file
file (READ "CONFIG" CONFIGFILE)
string (REGEX REPLACE ";" "\\\\;" CONFIGFILE "${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 # Parse DAMASK version from VERSION file
find_program (CAT_EXECUTABLE NAMES cat) find_program (CAT_EXECUTABLE NAMES cat)
execute_process (COMMAND ${CAT_EXECUTABLE} ${PROJECT_SOURCE_DIR}/VERSION execute_process (COMMAND ${CAT_EXECUTABLE} ${PROJECT_SOURCE_DIR}/VERSION
@ -184,283 +169,14 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
add_definitions (-DPETSc) add_definitions (-DPETSc)
set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}") set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
###################################################################################################
# Intel Compiler
###################################################################################################
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
include(Compiler-Intel)
if (OPENMP)
set (OPENMP_FLAGS "-qopenmp -parallel")
endif ()
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0 -no-ip")
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
set (STANDARD_CHECK "-stand f15 -standard-semantics -assume nostd_mod_proc_name")
set (LINKER_FLAGS "${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
###################################################################################################
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-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
###################################################################################################
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
include(Compiler-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
else () else ()
message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized") message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
endif () endif ()
@ -483,18 +199,3 @@ message ("Fortran Linker Command:\n${CMAKE_Fortran_LINK_EXECUTABLE}\n")
# location of code # location of code
add_subdirectory (src) 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
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@ -1,8 +1,6 @@
# "set"-syntax needed only for tcsh (but works with bash and zsh) # "set"-syntax needed only for tcsh (but works with bash and zsh)
# DAMASK_ROOT will be expanded # DAMASK_ROOT will be expanded
set DAMASK_BIN = ${DAMASK_ROOT}/bin
set DAMASK_NUM_THREADS = 4 set DAMASK_NUM_THREADS = 4
set MSC_ROOT = /opt/msc set MSC_ROOT = /opt/msc

25
Makefile
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@ -2,30 +2,31 @@ SHELL = /bin/sh
######################################################################################## ########################################################################################
# Makefile for the installation of DAMASK # Makefile for the installation of DAMASK
######################################################################################## ########################################################################################
DAMASK_ROOT = $(shell python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser('$(pwd)'))))")
.PHONY: all .PHONY: all
all: grid FEM processing all: grid mesh processing
.PHONY: grid .PHONY: grid
grid: build/grid grid: build/grid
@(cd build/grid;make -j4 --no-print-directory -ws all install;) @(cd build/grid;make -j4 all install;)
.PHONY: spectral .PHONY: spectral
spectral: build/grid spectral: grid
@(cd build/grid;make -j4 --no-print-directory -ws all install;)
.PHONY: mesh
mesh: build/mesh
@(cd build/mesh; make -j4 all install;)
.PHONY: FEM .PHONY: FEM
FEM: build/FEM FEM: mesh
@(cd build/FEM; make -j4 --no-print-directory -ws all install;)
.PHONY: build/grid .PHONY: build/grid
build/grid: build/grid:
@mkdir -p 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=${OPENMP} ../../;)
.PHONY: build/FEM .PHONY: build/mesh
build/FEM: build/mesh:
@mkdir -p build/FEM @mkdir -p build/mesh
@(cd build/FEM; cmake -Wno-dev -DDAMASK_SOLVER=FEM -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP} ../../;) @(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 .PHONY: clean
clean: clean:

2
PRIVATE

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

2
VERSION
View File

@ -1 +1 @@
v2.0.3-130-gda034f97 v2.0.3-152-gd74599d3

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 cd - >/dev/null
# if DAMASK_BIN is present # if DAMASK_BIN is present
if ( $?DAMASK_BIN) then set path = ($DAMASK_ROOT/bin $path)
set path = ($DAMASK_BIN $path)
endif
set SOLVER=`which DAMASK_spectral` set SOLVER=`which DAMASK_spectral`
set PROCESSING=`which postResults` 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 # 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 cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
# add DAMASK_BIN if present PATH=${DAMASK_ROOT}/bin:$PATH
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null) SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER" == "x" ] && SOLVER=$(blink 'Not found!') [ "x$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 cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
# add DAMASK_BIN if present # 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) SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
[[ "x$SOLVER" == "x" ]] && SOLVER=$(blink 'Not found!') [[ "x$SOLVER" == "x" ]] && SOLVER=$(blink 'Not found!')

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

@ -30,11 +30,20 @@ plasticity phenopowerlaw
(output) resistance_slip (output) resistance_slip
(output) shearrate_slip (output) shearrate_slip
(output) resolvedstress_slip (output) resolvedstress_slip
(output) totalshear (output) accumulatedshear_slip
(output) resistance_twin (output) resistance_twin
(output) shearrate_twin (output) shearrate_twin
(output) resolvedstress_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 lattice_structure fcc
Nslip 12 # per family Nslip 12 # per family

5
installation/patch/README.md
View File

@ -12,7 +12,10 @@ patch -p1 < installation/patch/nameOfPatch
## Available patches ## Available patches
* **disable_HDF5** disables all HDF5 output. * **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 ## Create patch
commit your changes 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() damaskEnv = damask.Environment()
baseDir = damaskEnv.relPath('processing/') baseDir = damaskEnv.relPath('processing/')
binDir = damaskEnv.options['DAMASK_BIN'] binDir = damaskEnv.relPath('bin/')
if not os.path.isdir(binDir): if not os.path.isdir(binDir):
os.mkdir(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]), np.linspace(0,size[0],1+grid[0]),
indexing = 'ij') indexing = 'ij')
else: else:
x, y, z = np.meshgrid(np.linspace(0,size[2],grid[2],endpoint=False), delta = size/grid*0.5
np.linspace(0,size[1],grid[1],endpoint=False), x, y, z = np.meshgrid(np.linspace(delta[2],size[2]-delta[2],grid[2]),
np.linspace(0,size[0],grid[0],endpoint=False), np.linspace(delta[1],size[1]-delta[1],grid[1]),
np.linspace(delta[0],size[0]-delta[0],grid[0]),
indexing = 'ij') indexing = 'ij')
origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3) origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)

2
python/.gitignore vendored Normal file
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@ -0,0 +1,2 @@
dist
damask.egg-info

1
python/MANIFEST.in Normal file
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@ -0,0 +1 @@
include damask/VERSION

3
python/damask/.gitignore vendored
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@ -1,3 +0,0 @@
core.so
corientation.so
*.pyx

1
python/damask/LICENSE Symbolic link
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@ -0,0 +1 @@
../../LICENSE

1
python/damask/README Symbolic link
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@ -0,0 +1 @@
../../README

1
python/damask/VERSION Symbolic link
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@ -0,0 +1 @@
../../VERSION

5
python/damask/__init__.py
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@ -3,8 +3,8 @@
"""Main aggregator""" """Main aggregator"""
import os import os
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f: with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
version = f.readline()[:-1] version = f.readline()[1:-1]
name = 'damask' name = 'damask'
@ -14,6 +14,7 @@ from .asciitable import ASCIItable # noqa
from .config import Material # noqa from .config import Material # noqa
from .colormaps import Colormap, Color # noqa from .colormaps import Colormap, Color # noqa
from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
from .dadf5 import DADF5 # noqa
#from .block import Block # only one class #from .block import Block # only one class
from .result import Result # noqa from .result import Result # noqa

112
python/damask/dadf5.py Normal file
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@ -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 -*- # -*- coding: UTF-8 no BOM -*-
import os,subprocess,shlex,re import os,re
class Environment(): class Environment():
__slots__ = [ \ __slots__ = [ \
@ -26,24 +26,3 @@ class Environment():
if len(items) == 2: if len(items) == 2:
self.options[items[0].upper()] = \ self.options[items[0].upper()] = \
re.sub('\$\{*DAMASK_ROOT\}*',self.rootDir(),os.path.expandvars(items[1])) # expand all shell variables and DAMASK_ROOT 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
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@ -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") SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
endif() endif()
file(GLOB_RECURSE sources *.f90 *.c) file(GLOB damask-sources *.f90 *.c)
# probably we should have subfolders for abaqus and MSC.Marc # probably we should have subfolders for abaqus and MSC.Marc
list(FILTER sources EXCLUDE REGEX ".*CPFEM\\.f90") list(FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90")
list(FILTER sources EXCLUDE REGEX ".*DAMASK_marc.*\\.f90") list(FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_marc.*\\.f90") list(FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90")
list(FILTER sources EXCLUDE REGEX ".*mesh_abaqus.*\\.f90") list(FILTER damask-sources EXCLUDE REGEX ".*mesh_abaqus.*.f90")
list(FILTER sources EXCLUDE REGEX ".*commercialFEM_fileList.*\\.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 damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
list(FILTER sources EXCLUDE REGEX ".*DAMASK_FEM.*\\.f90") file(GLOB grid-sources grid/*.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")
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") 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() 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() endif()
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM") elseif (PROJECT_NAME STREQUAL "damask-mesh")
# probably we should have subfolders for FEM and spectral list(FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
list(FILTER sources EXCLUDE REGEX ".*DAMASK_grid.*\\.f90") file(GLOB mesh-sources mesh/*.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")
add_executable(DAMASK_FEM ${sources}) add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources})
install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
endif() endif()

146
src/HDF5_utilities.f90
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@ -70,6 +70,8 @@ module HDF5_utilities
module procedure HDF5_addAttribute_str module procedure HDF5_addAttribute_str
module procedure HDF5_addAttribute_int module procedure HDF5_addAttribute_int
module procedure HDF5_addAttribute_real module procedure HDF5_addAttribute_real
module procedure HDF5_addAttribute_int_array
module procedure HDF5_addAttribute_real_array
end interface HDF5_addAttribute end interface HDF5_addAttribute
@ -270,6 +272,7 @@ logical function HDF5_objectExists(loc_id,path)
integer(HID_T), intent(in) :: loc_id integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer :: hdferr integer :: hdferr
character(len=256) :: p character(len=256) :: p
@ -298,6 +301,7 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
integer(HID_T), intent(in) :: loc_id integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in) :: attrLabel, attrValue character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer :: hdferr integer :: hdferr
integer(HID_T) :: attr_id, space_id, type_id integer(HID_T) :: attr_id, space_id, type_id
logical :: attrExists logical :: attrExists
@ -344,8 +348,9 @@ subroutine HDF5_addAttribute_int(loc_id,attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
integer(pInt), intent(in) :: attrValue integer(pInt), intent(in) :: attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer :: hdferr integer :: hdferr
integer(HID_T) :: attr_id, space_id, type_id integer(HID_T) :: attr_id, space_id
logical :: attrExists logical :: attrExists
character(len=256) :: p character(len=256) :: p
@ -356,27 +361,21 @@ subroutine HDF5_addAttribute_int(loc_id,attrLabel,attrValue,path)
endif endif
call h5screate_f(H5S_SCALAR_F,space_id,hdferr) call h5screate_f(H5S_SCALAR_F,space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5screate_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5screate_f')
call h5tcopy_f(H5T_NATIVE_INTEGER, type_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5tcopy_f')
call h5tset_size_f(type_id, 1_HSIZE_T, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5tset_size_f')
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr) call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5aexists_by_name_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5aexists_by_name_f')
if (attrExists) then if (attrExists) then
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5adelete_by_name_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5adelete_by_name_f')
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),type_id,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5acreate_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5acreate_f')
call h5awrite_f(attr_id, type_id, attrValue, int([1],HSIZE_T), hdferr) call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, int([1],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5awrite_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5awrite_f')
call h5aclose_f(attr_id,hdferr) call h5aclose_f(attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5aclose_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5tclose_f')
call h5tclose_f(type_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5tclose_f')
call h5sclose_f(space_id,hdferr) call h5sclose_f(space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pInt: h5sclose_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int: h5sclose_f')
end subroutine HDF5_addAttribute_int end subroutine HDF5_addAttribute_int
@ -390,8 +389,9 @@ subroutine HDF5_addAttribute_real(loc_id,attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
real(pReal), intent(in) :: attrValue real(pReal), intent(in) :: attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer :: hdferr integer :: hdferr
integer(HID_T) :: attr_id, space_id, type_id integer(HID_T) :: attr_id, space_id
logical :: attrExists logical :: attrExists
character(len=256) :: p character(len=256) :: p
@ -402,31 +402,113 @@ subroutine HDF5_addAttribute_real(loc_id,attrLabel,attrValue,path)
endif endif
call h5screate_f(H5S_SCALAR_F,space_id,hdferr) call h5screate_f(H5S_SCALAR_F,space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5screate_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5screate_f')
call h5tcopy_f(H5T_NATIVE_DOUBLE, type_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5tcopy_f')
call h5tset_size_f(type_id, 8_HSIZE_T, hdferr) ! ToDo
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5tset_size_f')
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr) call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5aexists_by_name_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5aexists_by_name_f')
if (attrExists) then if (attrExists) then
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5adelete_by_name_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5adelete_by_name_f')
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),type_id,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5acreate_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5acreate_f')
call h5awrite_f(attr_id, type_id, attrValue, int([1],HSIZE_T), hdferr) call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, int([1],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5awrite_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5awrite_f')
call h5aclose_f(attr_id,hdferr) call h5aclose_f(attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5aclose_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5tclose_f')
call h5tclose_f(type_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5tclose_f')
call h5sclose_f(space_id,hdferr) call h5sclose_f(space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_pReal: h5sclose_f') if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_real: h5sclose_f')
end subroutine HDF5_addAttribute_real end subroutine HDF5_addAttribute_real
!--------------------------------------------------------------------------------------------------
!> @brief adds a integer attribute to the path given relative to the location
!--------------------------------------------------------------------------------------------------
subroutine HDF5_addAttribute_int_array(loc_id,attrLabel,attrValue,path)
integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in) :: attrLabel
integer(pInt), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
integer(HSIZE_T),dimension(1) :: array_size
logical :: attrExists
character(len=256) :: p
if (present(path)) then
p = trim(path)
else
p = '.'
endif
array_size = size(attrValue,kind=HSIZE_T)
call h5screate_simple_f(1, array_size, space_id, hdferr, array_size)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5screate_f')
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5aexists_by_name_f')
if (attrExists) then
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5adelete_by_name_f')
endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5acreate_f')
call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, array_size, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5awrite_f')
call h5aclose_f(attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5tclose_f')
call h5sclose_f(space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5sclose_f')
end subroutine HDF5_addAttribute_int_array
!--------------------------------------------------------------------------------------------------
!> @brief adds a real attribute to the path given relative to the location
!--------------------------------------------------------------------------------------------------
subroutine HDF5_addAttribute_real_array(loc_id,attrLabel,attrValue,path)
integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in) :: attrLabel
real(pReal), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
integer(HSIZE_T),dimension(1) :: array_size
logical :: attrExists
character(len=256) :: p
if (present(path)) then
p = trim(path)
else
p = '.'
endif
array_size = size(attrValue,kind=HSIZE_T)
call h5screate_simple_f(1, array_size, space_id, hdferr, array_size)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5screate_f')
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5aexists_by_name_f')
if (attrExists) then
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5adelete_by_name_f')
endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5acreate_f')
call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, array_size, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5awrite_f')
call h5aclose_f(attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5tclose_f')
call h5sclose_f(space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addAttribute_int_array: h5sclose_f')
end subroutine HDF5_addAttribute_real_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief set link to object in results file !> @brief set link to object in results file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

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' msg = 'too many systems requested'
case (146_pInt) case (146_pInt)
msg = 'number of values does not match' msg = 'number of values does not match'
case (147_pInt)
msg = 'not supported anymore'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! material error messages and related messages in mesh ! 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/)
!!

6
src/constitutive.f90
View File

@ -1108,13 +1108,11 @@ subroutine constitutive_results
integer :: p integer :: p
character(len=256) :: group character(len=256) :: group
call HDF5_closeGroup(results_addGroup('current/constitutive'))
do p=1,size(config_name_phase) do p=1,size(config_name_phase)
group = trim('current/constitutive')//'/'//trim(config_name_phase(p)) group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call HDF5_closeGroup(results_addGroup(group)) call HDF5_closeGroup(results_addGroup(group))
group = trim(group)//'/'//'plastic' group = trim(group)//'/plastic'
call HDF5_closeGroup(results_addGroup(group)) call HDF5_closeGroup(results_addGroup(group))
select case(material_phase_plasticity_type(p)) select case(material_phase_plasticity_type(p))

18
src/crystallite.f90
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@ -1116,7 +1116,7 @@ end function crystallite_postResults
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file !> @brief writes crystallite results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_results subroutine crystallite_results
#if defined(PETSc) || defined(DAMASK_HDF5) #if defined(PETSc) || defined(DAMASK_HDF5)
@ -1135,11 +1135,11 @@ subroutine crystallite_results
type(rotation), allocatable, dimension(:) :: selected_rotations type(rotation), allocatable, dimension(:) :: selected_rotations
character(len=256) :: group,lattice_label character(len=256) :: group,lattice_label
call HDF5_closeGroup(results_addGroup('current/constituent'))
do p=1,size(config_name_phase) do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p)) group = trim('current/constituent')//'/'//trim(config_name_phase(p))//'/generic'
call HDF5_closeGroup(results_addGroup(group)) call HDF5_closeGroup(results_addGroup(group))
do o = 1, size(output_constituent(p)%label) do o = 1, size(output_constituent(p)%label)
select case (output_constituent(p)%label(o)) select case (output_constituent(p)%label(o))
case('f') case('f')
@ -1214,19 +1214,18 @@ subroutine crystallite_results
allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains)) allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains))
j=1 j=0
do e = 1, size(material_phaseAt,2) do e = 1, size(material_phaseAt,2)
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
do c = 1, size(material_phaseAt,1) do c = 1, size(material_phaseAt,1)
if (material_phaseAt(c,e) == instance) then if (material_phaseAt(c,e) == instance) then
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
j = j + 1 j = j + 1
select_tensors(1:3,1:3,j) = dataset(1:3,1:3,c,i,e)
endif endif
enddo enddo
enddo enddo
enddo enddo
end function select_tensors end function select_tensors
@ -1246,19 +1245,18 @@ subroutine crystallite_results
allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains)) allocate(select_rotations(count(material_phaseAt==instance)*homogenization_maxNgrains))
j=1 j=0
do e = 1, size(material_phaseAt,2) do e = 1, size(material_phaseAt,2)
do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains do i = 1, homogenization_maxNgrains !ToDo: this needs to be changed for varying Ngrains
do c = 1, size(material_phaseAt,1) do c = 1, size(material_phaseAt,1)
if (material_phaseAt(c,e) == instance) then if (material_phaseAt(c,e) == instance) then
select_rotations(j) = dataset(c,i,e)
j = j + 1 j = j + 1
select_rotations(j) = dataset(c,i,e)
endif endif
enddo enddo
enddo enddo
enddo enddo
end function select_rotations end function select_rotations
#endif #endif

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

@ -358,6 +358,11 @@ program DAMASK_spectral
enddo enddo
close(fileUnit) 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 ! doing initialization depending on active solvers
call Utilities_init() call Utilities_init()

0
src/grid_damage_spectral.f90 → src/grid/grid_damage_spectral.f90
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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
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0
src/spectral_utilities.f90 → src/grid/spectral_utilities.f90
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195
src/lattice.f90
View File

@ -456,7 +456,7 @@ module lattice
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, & LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
LATTICE_hex_Ncleavage, & LATTICE_hex_Ncleavage, &
LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage)
!END DEPRECATED ! END DEPRECATED
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66 lattice_C66
@ -535,7 +535,7 @@ module lattice
lattice_slip_transverse lattice_slip_transverse
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Module initialization !> @brief Module initialization
@ -546,7 +546,6 @@ subroutine lattice_init
use config, only: & use config, only: &
config_phase config_phase
implicit none
integer :: Nphases integer :: Nphases
character(len=65536) :: & character(len=65536) :: &
tag = '' tag = ''
@ -664,7 +663,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, intent(in) :: myPhase integer, intent(in) :: myPhase
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
CoverA CoverA
@ -756,7 +754,6 @@ end subroutine lattice_initializeStructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66(struct,C66) pure function lattice_symmetrizeC66(struct,C66)
implicit none
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(6,6), intent(in) :: C66 real(pReal), dimension(6,6), intent(in) :: C66
real(pReal), dimension(6,6) :: lattice_symmetrizeC66 real(pReal), dimension(6,6) :: lattice_symmetrizeC66
@ -820,7 +817,7 @@ pure function lattice_symmetrizeC66(struct,C66)
lattice_symmetrizeC66 = C66 lattice_symmetrizeC66 = C66
end select end select
end function lattice_symmetrizeC66 end function lattice_symmetrizeC66
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -828,7 +825,6 @@ pure function lattice_symmetrizeC66(struct,C66)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize33(struct,T33) pure function lattice_symmetrize33(struct,T33)
implicit none
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(3,3), intent(in) :: T33 real(pReal), dimension(3,3), intent(in) :: T33
real(pReal), dimension(3,3) :: lattice_symmetrize33 real(pReal), dimension(3,3) :: lattice_symmetrize33
@ -851,7 +847,7 @@ pure function lattice_symmetrize33(struct,T33)
lattice_symmetrize33 = T33 lattice_symmetrize33 = T33
end select end select
end function lattice_symmetrize33 end function lattice_symmetrize33
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -863,7 +859,6 @@ logical pure function lattice_qInSST(Q, struct)
use math, only: & use math, only: &
math_qToRodrig math_qToRodrig
implicit none
real(pReal), dimension(4), intent(in) :: Q ! orientation real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure
real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q
@ -899,12 +894,11 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
math_qMul, & math_qMul, &
math_qConj math_qConj
implicit none
real(pReal), dimension(4) :: lattice_qDisorientation real(pReal), dimension(4) :: lattice_qDisorientation
real(pReal), dimension(4), intent(in) :: & real(pReal), dimension(4), intent(in) :: &
Q1, & ! 1st orientation Q1, & !< 1st orientation
Q2 ! 2nd orientation Q2 !< 2nd orientation
integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & ! if given, symmetries between the two orientation will be considered integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & !< if given, symmetries between the two orientation will be considered
struct struct
real(pReal), dimension(4) :: dQ,dQsymA,mis real(pReal), dimension(4) :: dQ,dQsymA,mis
@ -914,7 +908,7 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
integer, dimension(2), parameter :: & integer, dimension(2), parameter :: &
NsymOperations = [24,12] NsymOperations = [24,12]
real(pReal), dimension(4,36), parameter :: & real(pReal), dimension(4,36), parameter :: &
symOperations = reshape([& symOperations = reshape([&
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations
0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), & ! 2-fold symmetry 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), & ! 2-fold symmetry
@ -940,7 +934,7 @@ real(pReal), dimension(4,36), parameter :: &
1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), & 1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, & 0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, &
-1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), & -1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), &
! !
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry 0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, & 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
@ -1007,7 +1001,6 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -1093,7 +1086,6 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
math_66toSym3333, & math_66toSym3333, &
math_rotate_forward3333 math_rotate_forward3333
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
@ -1145,7 +1137,6 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
math_66toSym3333, & math_66toSym3333, &
math_rotate_forward3333 math_rotate_forward3333
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
character(len=*), intent(in) :: structure_target !< lattice structure character(len=*), intent(in) :: structure_target !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C_parent66 real(pReal), dimension(6,6), intent(in) :: C_parent66
@ -1162,8 +1153,8 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
!ToDo: add checks for CoverA_trans,a_fcc,a_bcc !ToDo: add checks for CoverA_trans,a_fcc,a_bcc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! elasticity matrix of the target phase in cube orientation ! elasticity matrix of the target phase in cube orientation
if (structure_target(1:3) == 'hex') then if (structure_target(1:3) == 'hex') then
C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal
C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal
@ -1196,7 +1187,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
do i = 1, sum(Ntrans) do i = 1, sum(Ntrans)
lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i))) lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i)))
enddo enddo
end function lattice_C66_trans end function lattice_C66_trans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1212,7 +1203,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
math_outer, & math_outer, &
math_cross, & math_cross, &
math_axisAngleToR math_axisAngleToR
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
integer, intent(in) :: sense !< sense (-1,+1) integer, intent(in) :: sense !< sense (-1,+1)
@ -1258,7 +1249,6 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1269,11 +1259,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPSLIP = reshape( [& FCC_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & 1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! -----> acting
2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & 2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & 2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! |
4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & 4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v
6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & 6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & ! reacting
5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, & 5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, &
3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, & 3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, &
5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, & 5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, &
@ -1304,11 +1294,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPSLIP = reshape( [& BCC_INTERACTIONSLIPSLIP = reshape( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & 1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! -----> acting
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & 2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & 6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & 6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & ! v
5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, & 5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, & ! reacting
4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, & 4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, &
4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, & 4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, &
3,4,4,5,6,6,2,1,4,3,4,5, 6,4,6,3,3,6,4,6,6,3,6,4, & 3,4,4,5,6,6,2,1,4,3,4,5, 6,4,6,3,3,6,4,6,6,3,6,4, &
@ -1339,11 +1329,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPSLIP = reshape( [& HEX_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & 1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! -----> acting
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & 2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & 2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
! ! ! v
6, 6, 6, 4, 5, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & 6, 6, 6, 4, 5, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & ! reacting
6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & 6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
6, 6, 6, 5, 5, 4, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & 6, 6, 6, 5, 5, 4, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
! !
@ -1381,11 +1371,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: & integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: &
BCT_INTERACTIONSLIPSLIP = reshape( [& BCT_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & 1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! -----> acting
2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & 2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! |
! ! |
6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & 6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! v
6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & 6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! reacting
! !
12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, & 12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, & 12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
@ -1481,7 +1471,6 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1492,11 +1481,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINTWIN = reshape( [& FCC_INTERACTIONTWINTWIN = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, & 2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, & 2,2,2,2,2,2,1,1,1,2,2,2, &
@ -1508,11 +1497,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINTWIN = reshape( [& BCC_INTERACTIONTWINTWIN = reshape( [&
1,3,3,3,3,3,3,2,3,3,2,3, & 1,3,3,3,3,3,3,2,3,3,2,3, & ! -----> acting
3,1,3,3,3,3,2,3,3,3,3,2, & 3,1,3,3,3,3,2,3,3,3,3,2, & ! |
3,3,1,3,3,2,3,3,2,3,3,3, & 3,3,1,3,3,2,3,3,2,3,3,3, & ! |
3,3,3,1,2,3,3,3,3,2,3,3, & 3,3,3,1,2,3,3,3,3,2,3,3, & ! v
3,3,3,2,1,3,3,3,3,2,3,3, & 3,3,3,2,1,3,3,3,3,2,3,3, & ! reacting
3,3,2,3,3,1,3,3,2,3,3,3, & 3,3,2,3,3,1,3,3,2,3,3,3, &
3,2,3,3,3,3,1,3,3,3,3,2, & 3,2,3,3,3,3,1,3,3,3,3,2, &
2,3,3,3,3,3,3,1,3,3,2,3, & 2,3,3,3,3,3,3,1,3,3,2,3, &
@ -1526,11 +1515,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINTWIN = reshape( [& HEX_INTERACTIONTWINTWIN = reshape( [&
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! -----> acting
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v
2, 2, 2, 2, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 2, 2, 2, 2, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! reacting
2, 2, 2, 2, 2, 1, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & 2, 2, 2, 2, 2, 1, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
! !
6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, & 6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
@ -1585,7 +1574,6 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal) character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
@ -1596,11 +1584,11 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: & integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: &
FCC_INTERACTIONTRANSTRANS = reshape( [& FCC_INTERACTIONTRANSTRANS = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, & 2,2,2,2,2,2,1,1,1,2,2,2, &
2,2,2,2,2,2,1,1,1,2,2,2, & 2,2,2,2,2,2,1,1,1,2,2,2, &
@ -1633,12 +1621,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntwin !< number of active twin systems per family Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
integer, dimension(:), allocatable :: NslipMax, & integer, dimension(:), allocatable :: NslipMax, &
NtwinMax NtwinMax
@ -1646,11 +1633,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTWIN = reshape( [& FCC_INTERACTIONSLIPTWIN = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin 1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! | 1,1,1,2,2,2,3,3,3,3,3,3, & ! |
3,3,3,1,1,1,3,3,3,2,2,2, & ! v slip 3,3,3,1,1,1,3,3,3,2,2,2, & ! v
3,3,3,1,1,1,2,2,2,3,3,3, & 3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, & 2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, & 2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, & 3,3,3,2,2,2,1,1,1,3,3,3, &
@ -1671,11 +1658,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPTWIN = reshape( [& BCC_INTERACTIONSLIPTWIN = reshape( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin 3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin (acting)
3,3,2,3,3,2,3,3,2,3,3,3, & ! | 3,3,2,3,3,2,3,3,2,3,3,3, & ! |
3,2,3,3,3,3,2,3,3,3,3,2, & ! | 3,2,3,3,3,3,2,3,3,3,3,2, & ! |
2,3,3,3,3,3,3,2,3,3,2,3, & ! v slip 2,3,3,3,3,3,3,2,3,3,2,3, & ! v
2,3,3,3,3,3,3,2,3,3,2,3, & 2,3,3,3,3,3,3,2,3,3,2,3, & ! slip (reacting)
3,3,2,3,3,2,3,3,2,3,3,3, & 3,3,2,3,3,2,3,3,2,3,3,3, &
3,2,3,3,3,3,2,3,3,3,3,2, & 3,2,3,3,3,3,2,3,3,3,3,2, &
3,3,3,2,2,3,3,3,3,2,3,3, & 3,3,3,2,2,3,3,3,3,2,3,3, &
@ -1702,11 +1689,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPTWIN = reshape( [& HEX_INTERACTIONSLIPTWIN = reshape( [&
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! ----> twin 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! ----> twin (acting)
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
! v ! v
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip (reacting)
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
! !
@ -1763,7 +1750,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
end function lattice_interaction_SlipByTwin end function lattice_interaction_SlipByTwin
@ -1776,12 +1763,11 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntrans !< number of active trans systems per family Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal) character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
real(pReal), dimension(sum(Ntrans),sum(Nslip)) :: interactionMatrix real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
integer, dimension(:), allocatable :: NslipMax, & integer, dimension(:), allocatable :: NslipMax, &
NtransMax NtransMax
@ -1789,11 +1775,11 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTRANS = reshape( [& FCC_INTERACTIONSLIPTRANS = reshape( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans 1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! | 1,1,1,2,2,2,3,3,3,3,3,3, & ! |
3,3,3,1,1,1,3,3,3,2,2,2, & ! v slip 3,3,3,1,1,1,3,3,3,2,2,2, & ! v
3,3,3,1,1,1,2,2,2,3,3,3, & 3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, & 2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, & 2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, & 3,3,3,2,2,2,1,1,1,3,3,3, &
@ -1822,9 +1808,9 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Ntrans,Nslip,NtransMax,NslipMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
end function lattice_interaction_SlipByTrans end function lattice_interaction_SlipByTrans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1835,30 +1821,29 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
Nslip !< number of active slip systems per family Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
integer, dimension(:), allocatable :: NtwinMax, & integer, dimension(:), allocatable :: NtwinMax, &
NslipMax NslipMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINSLIP = 1 !< Twin-Slip interaction types for fcc FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINSLIP = reshape( [& HEX_INTERACTIONTWINSLIP = reshape( [&
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! ----> slip 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! ----> slip (acting)
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! | 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! | 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! twin 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! twin (reacting)
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, &
! !
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, & 2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
@ -1881,7 +1866,7 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-twin interaction types for hex ],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hex
if (len_trim(structure) /= 3) & if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
@ -1903,7 +1888,7 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
end function lattice_interaction_TwinBySlip end function lattice_interaction_TwinBySlip
@ -1921,7 +1906,6 @@ function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
math_trace33, & math_trace33, &
math_outer math_outer
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA real(pReal), intent(in) :: cOverA
@ -1981,7 +1965,6 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
math_trace33, & math_trace33, &
math_outer math_outer
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2022,7 +2005,7 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for twin') call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for twin')
enddo enddo
end function lattice_SchmidMatrix_twin end function lattice_SchmidMatrix_twin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -2033,7 +2016,6 @@ function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
character(len=*), intent(in) :: structure_target !< lattice structure character(len=*), intent(in) :: structure_target !< lattice structure
@ -2051,7 +2033,7 @@ function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc)
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA,a_fcc,a_bcc) call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA,a_fcc,a_bcc)
end function lattice_SchmidMatrix_trans end function lattice_SchmidMatrix_trans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -2064,7 +2046,6 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2119,7 +2100,6 @@ end function lattice_SchmidMatrix_cleavage
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_direction(Nslip,structure,cOverA) result(d) function lattice_slip_direction(Nslip,structure,cOverA) result(d)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2138,7 +2118,6 @@ end function lattice_slip_direction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_normal(Nslip,structure,cOverA) result(n) function lattice_slip_normal(Nslip,structure,cOverA) result(n)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2151,12 +2130,12 @@ function lattice_slip_normal(Nslip,structure,cOverA) result(n)
end function lattice_slip_normal end function lattice_slip_normal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Transverse direction of slip systems ( || t = b x n) !> @brief Transverse direction of slip systems ( || t = b x n)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_transverse(Nslip,structure,cOverA) result(t) function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2178,7 +2157,6 @@ function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
math_inner math_inner
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2204,7 +2182,6 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
math_inner math_inner
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2230,7 +2207,6 @@ function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2272,19 +2248,18 @@ end function coordinateSystem_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Populates reduced interaction matrix !> @brief Populates reduced interaction matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function buildInteraction(acting_used,reacting_used,acting_max,reacting_max,values,matrix) function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
acting_used, & !< # of acting systems per family as specified in material.config
reacting_used, & !< # of reacting systems per family as specified in material.config reacting_used, & !< # of reacting systems per family as specified in material.config
acting_max, & !< max # of acting systems per family for given lattice acting_used, & !< # of acting systems per family as specified in material.config
reacting_max !< max # of reacting systems per family for given lattice reacting_max, & !< max # of reacting systems per family for given lattice
acting_max !< max # of acting systems per family for given lattice
real(pReal), dimension(:), intent(in) :: values !< interaction values real(pReal), dimension(:), intent(in) :: values !< interaction values
integer, dimension(:,:), intent(in) :: matrix !< interaction types integer, dimension(:,:), intent(in) :: matrix !< interaction types
real(pReal), dimension(sum(acting_used),sum(reacting_used)) :: buildInteraction real(pReal), dimension(sum(reacting_used),sum(acting_used)) :: buildInteraction
integer :: & integer :: &
acting_family_index, acting_family, acting_system, & acting_family_index, acting_family, acting_system, &
@ -2307,7 +2282,7 @@ function buildInteraction(acting_used,reacting_used,acting_max,reacting_max,valu
if (matrix(i,j) > size(values)) call IO_error(138,ext_msg='buildInteraction') if (matrix(i,j) > size(values)) call IO_error(138,ext_msg='buildInteraction')
buildInteraction(k,l) = values(matrix(i,j)) buildInteraction(l,k) = values(matrix(i,j))
enddo; enddo enddo; enddo
enddo; enddo enddo; enddo
@ -2325,7 +2300,6 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
use math, only: & use math, only: &
math_cross math_cross
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
active, & active, &
complete complete
@ -2407,7 +2381,6 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
Ntrans Ntrans
real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: & real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: &

99
src/material.f90
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@ -856,34 +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) if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
endif endif
if (config_texture(t)%keyExists('symmetry')) then if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
select case (config_texture(t)%getString('symmetry')) if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
case('orthotropic') if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
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('(gauss)')) then if (config_texture(t)%keyExists('(gauss)')) then
gauss = gauss + 1_pInt gauss = gauss + 1_pInt
@ -906,31 +881,6 @@ subroutine material_parseTexture
enddo enddo
enddo enddo
endif 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 enddo
call config_deallocate('material.config/texture') call config_deallocate('material.config/texture')
@ -1040,11 +990,7 @@ subroutine material_populateGrains
math_RtoEuler, & math_RtoEuler, &
math_EulerToR, & math_EulerToR, &
math_mul33x33, & math_mul33x33, &
math_range, & math_range
math_sampleRandomOri, &
math_sampleGaussOri, &
math_sampleFiberOri, &
math_symmetricEulers
use mesh, only: & use mesh, only: &
theMesh, & theMesh, &
mesh_ipVolume mesh_ipVolume
@ -1226,28 +1172,12 @@ subroutine material_populateGrains
! has texture components ! has texture components
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss 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 do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = & orientationOfGrain(:,grain+constituentGrain+g) = texture_Gauss(1:3,t,textureID)
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
texture_Gauss( 4,t,textureID))
enddo enddo
constituentGrain = & constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
enddo gauss 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 ! ...texture transformation
@ -1261,25 +1191,6 @@ subroutine material_populateGrains
) )
enddo 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 ! shuffle grains within current constituent

0
src/DAMASK_FEM.f90 → src/mesh/DAMASK_FEM.f90
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0
src/FEM_mech.f90 → src/mesh/FEM_mech.f90
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0
src/FEM_utilities.f90 → src/mesh/FEM_utilities.f90
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0
src/FEM_zoo.f90 → src/mesh/FEM_zoo.f90
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11
src/plastic_disloUCLA.f90
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@ -134,7 +134,6 @@ subroutine plastic_disloUCLA_init()
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -208,9 +207,9 @@ subroutine plastic_disloUCLA_init()
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif 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%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),& prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) 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, & pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of) Mp,T,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -411,7 +409,6 @@ subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
PI, & PI, &
math_clip math_clip
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -472,7 +469,6 @@ end subroutine plastic_disloUCLA_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dependentState(instance,of) subroutine plastic_disloUCLA_dependentState(instance,of)
implicit none
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
@ -507,7 +503,6 @@ function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -564,7 +559,6 @@ subroutine plastic_disloUCLA_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -616,7 +610,6 @@ pure subroutine kinetics(Mp,T,instance,of, &
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &

30
src/plastic_dislotwin.f90
View File

@ -198,7 +198,6 @@ subroutine plastic_dislotwin_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -268,9 +267,9 @@ subroutine plastic_dislotwin_init
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) 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%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),& prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
@ -332,9 +331,9 @@ subroutine plastic_dislotwin_init
if (prm%sum_N_tw > 0) then if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) 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%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw))
prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw))
@ -380,9 +379,9 @@ subroutine plastic_dislotwin_init
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = config%getFloat('l0_trans') prm%L_tr = config%getFloat('l0_trans')
prm%h_tr_tr = transpose(lattice_interaction_TransByTrans(prm%N_tr,& prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), & config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, & prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
@ -416,16 +415,16 @@ subroutine plastic_dislotwin_init
endif endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then 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%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] 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 endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then 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%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] 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 endif
@ -605,7 +604,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
phase_plasticityInstance, & phase_plasticityInstance, &
phasememberAt phasememberAt
implicit none
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
homogenizedC homogenizedC
integer, intent(in) :: & integer, intent(in) :: &
@ -653,7 +651,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
math_symmetric33, & math_symmetric33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(in) :: Mp real(pReal), dimension(3,3), intent(in) :: Mp
@ -776,7 +773,6 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
math_mul33xx33, & math_mul33xx33, &
PI PI
implicit none
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -869,7 +865,6 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
use math, only: & use math, only: &
PI PI
implicit none
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
@ -987,7 +982,6 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3),intent(in) :: & real(pReal), dimension(3,3),intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1067,7 +1061,6 @@ subroutine plastic_dislotwin_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*) :: group
integer :: o integer :: o
@ -1133,7 +1126,6 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1212,7 +1204,6 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1284,7 +1275,6 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &

6
src/plastic_isotropic.f90
View File

@ -108,7 +108,6 @@ subroutine plastic_isotropic_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -259,7 +258,6 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
math_deviatoric33, & math_deviatoric33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & 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_spherical33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -383,7 +380,6 @@ subroutine plastic_isotropic_dotState(Mp,instance,of)
math_mul33xx33, & math_mul33xx33, &
math_deviatoric33 math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -436,7 +432,6 @@ function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
math_mul33xx33, & math_mul33xx33, &
math_deviatoric33 math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -488,7 +483,6 @@ subroutine plastic_isotropic_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group

11
src/plastic_kinematichardening.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_kinehardening_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, o, & p, i, o, &
@ -204,9 +203,9 @@ subroutine plastic_kinehardening_init
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip)) prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip))
prm%tau1 = config%getFloats('tau1', 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) pure subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & 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) subroutine plastic_kinehardening_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -443,7 +440,6 @@ subroutine plastic_kinehardening_deltaState(Mp,instance,of)
debug_levelSelective debug_levelSelective
#endif #endif
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -494,7 +490,6 @@ function plastic_kinehardening_postResults(Mp,instance,of) result(postResults)
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -555,7 +550,6 @@ subroutine plastic_kinehardening_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*) :: group
integer :: o integer :: o
@ -608,7 +602,6 @@ pure subroutine kinetics(Mp,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &

1
src/plastic_none.f90
View File

@ -31,7 +31,6 @@ subroutine plastic_none_init
material_phase, & material_phase, &
plasticState plasticState
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, & p, &

11
src/plastic_nonlocal.f90
View File

@ -260,7 +260,6 @@ subroutine plastic_nonlocal_init
use config use config
use lattice use lattice
implicit none
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
integer, dimension(0), parameter :: emptyIntArray = [integer::] integer, dimension(0), parameter :: emptyIntArray = [integer::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
@ -751,7 +750,6 @@ subroutine plastic_nonlocal_init
material_phase, & material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
phasememberAt phasememberAt
implicit none
integer,intent(in) ::& integer,intent(in) ::&
phase, & phase, &
@ -867,7 +865,6 @@ subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el)
LATTICE_fcc_ID, & LATTICE_fcc_ID, &
lattice_structure lattice_structure
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
el el
@ -1090,7 +1087,6 @@ end subroutine plastic_nonlocal_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, & subroutine plastic_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, &
tauThreshold, c, Temperature, instance, of) tauThreshold, c, Temperature, instance, of)
implicit none
integer, intent(in) :: & integer, intent(in) :: &
c, & !< dislocation character (1:edge, 2:screw) c, & !< dislocation character (1:edge, 2:screw)
instance, of instance, of
@ -1239,7 +1235,6 @@ subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
phase_plasticityInstance phase_plasticityInstance
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< current integration point ip, & !< current integration point
el !< current element number el !< current element number
@ -1392,7 +1387,6 @@ subroutine plastic_nonlocal_deltaState(Mp,ip,el)
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
phase_plasticityInstance phase_plasticityInstance
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
el el
@ -1553,7 +1547,6 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
LATTICE_bcc_ID, & LATTICE_bcc_ID, &
LATTICE_fcc_ID LATTICE_fcc_ID
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< current integration point ip, & !< current integration point
el !< current element number el !< current element number
@ -2027,7 +2020,6 @@ subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
use lattice, only: & use lattice, only: &
lattice_qDisorientation lattice_qDisorientation
implicit none
integer, intent(in) :: & integer, intent(in) :: &
i, & i, &
e e
@ -2175,7 +2167,6 @@ function plastic_nonlocal_postResults(ph,instance,of) result(postResults)
use material, only: & use material, only: &
plasticState plasticState
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
instance, & instance, &
@ -2378,7 +2369,6 @@ end function plastic_nonlocal_postResults
function getRho(instance,of,ip,el) function getRho(instance,of,ip,el)
use mesh use mesh
implicit none
integer, intent(in) :: instance, of,ip,el integer, intent(in) :: instance, of,ip,el
real(pReal), dimension(param(instance)%totalNslip,10) :: getRho real(pReal), dimension(param(instance)%totalNslip,10) :: getRho
@ -2406,7 +2396,6 @@ subroutine plastic_nonlocal_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*) :: group character(len=*) :: group
integer :: o integer :: o

23
src/plastic_phenopowerlaw.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_phenopowerlaw_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -203,9 +202,9 @@ subroutine plastic_phenopowerlaw_init
prm%nonSchmid_pos = prm%Schmid_slip prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip prm%nonSchmid_neg = prm%Schmid_slip
endif endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & 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_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip))
prm%xi_slip_sat = config%getFloats('tausat_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 twinActive: if (prm%totalNtwin > 0) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),& prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) 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%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),& prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a')) config%getFloat('c/a'))
@ -268,12 +267,12 @@ subroutine plastic_phenopowerlaw_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip-twin related parameters ! slip-twin related parameters
slipAndTwinActive: if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then 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%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%interaction_TwinSlip = transpose(lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,& prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
config%getFloats('interaction_twinslip'), & config%getFloats('interaction_twinslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
else slipAndTwinActive else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%TotalNslip,prm%TotalNtwin)) ! at least one dimension is 0 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 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) pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & 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) subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -498,7 +495,6 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -567,7 +563,6 @@ subroutine plastic_phenopowerlaw_results(instance,group)
use results, only: & use results, only: &
results_writeDataset results_writeDataset
implicit none
integer, intent(in) :: instance integer, intent(in) :: instance
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -616,7 +611,6 @@ pure subroutine kinetics_slip(Mp,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -693,7 +687,6 @@ pure subroutine kinetics_twin(Mp,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &

31
src/quaternions.f90
View File

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

90
src/results.f90
View File

@ -28,6 +28,17 @@ module results
end interface results_writeDataset end interface results_writeDataset
interface results_addAttribute
module procedure results_addAttribute_real
module procedure results_addAttribute_int
module procedure results_addAttribute_str
module procedure results_addAttribute_int_array
module procedure results_addAttribute_real_array
end interface results_addAttribute
public :: & public :: &
results_init, & results_init, &
results_openJobFile, & results_openJobFile, &
@ -105,6 +116,9 @@ subroutine results_addIncrement(inc,time)
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current') call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar)))) call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar))))
call HDF5_closeGroup(results_addGroup('current/constituent'))
call HDF5_closeGroup(results_addGroup('current/materialpoint'))
end subroutine results_addIncrement end subroutine results_addIncrement
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -144,15 +158,67 @@ end subroutine results_setLink
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds an attribute to an object !> @brief adds a string attribute to an object in the results file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute(attrLabel,attrValue,path) subroutine results_addAttribute_str(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue, path character(len=*), intent(in) :: attrLabel, attrValue, path
call HDF5_addAttribute_str(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
end subroutine results_addAttribute end subroutine results_addAttribute_str
!--------------------------------------------------------------------------------------------------
!> @brief adds an integer attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path
integer, intent(in) :: attrValue
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
end subroutine results_addAttribute_int
!--------------------------------------------------------------------------------------------------
!> @brief adds a real attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path
real(pReal), intent(in) :: attrValue
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
end subroutine results_addAttribute_real
!--------------------------------------------------------------------------------------------------
!> @brief adds an integer array attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path
integer, intent(in), dimension(:) :: attrValue
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
end subroutine results_addAttribute_int_array
!--------------------------------------------------------------------------------------------------
!> @brief adds a real array attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, path
real(pReal), intent(in), dimension(:) :: attrValue
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
end subroutine results_addAttribute_real_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -190,6 +256,8 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label) call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real end subroutine results_writeScalarDataset_real
@ -215,6 +283,8 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label) call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real end subroutine results_writeVectorDataset_real
@ -241,6 +311,8 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label) call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_real end subroutine results_writeTensorDataset_real
@ -267,6 +339,8 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label) call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int end subroutine results_writeVectorDataset_int
@ -293,6 +367,8 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label) call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int end subroutine results_writeTensorDataset_int
@ -321,6 +397,8 @@ subroutine results_writeScalarDataset_rotation(group,dataset,label,description,l
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) & if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) &
call HDF5_addAttribute(groupHandle,'Lattice',lattice_structure,label) call HDF5_addAttribute(groupHandle,'Lattice',lattice_structure,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_rotation end subroutine results_writeScalarDataset_rotation
@ -432,7 +510,7 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
where(phaseAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) where(phaseAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -570,7 +648,7 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
where(homogenizationAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) where(homogenizationAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------