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DAMASK_EICMD
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Merge branch 'development' into 30_parsePhasePartOnce

This commit is contained in:
Martin Diehl 2018-06-16 14:49:57 +02:00
parent 0e4379f7ec 7e0e6ac51c
commit 32d481020f
10 changed files with 134 additions and 317 deletions
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12
.gitlab-ci.yml
View File

@ -52,23 +52,23 @@ variables:
IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016" IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016"
IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017" IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017"
IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018" IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018"
GNUCompiler5_3: "Compiler/GNU/5.3" GNUCompiler7_3: "Compiler/GNU/7.3"
# ------------ Defaults ---------------------------------------------- # ------------ Defaults ----------------------------------------------
IntelCompiler: "$IntelCompiler18_1" IntelCompiler: "$IntelCompiler18_1"
GNUCompiler: "$GNUCompiler5_3" GNUCompiler: "$GNUCompiler7_3"
# ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2" MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2"
MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1" MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1"
MPICH3_2GNU5_3: "MPI/GNU/5.3/MPICH/3.2.1" MPICH3_2GNU7_3: "MPI/GNU/7.3/MPICH/3.2.1"
# ------------ Defaults ---------------------------------------------- # ------------ Defaults ----------------------------------------------
MPICH_GNU: "$MPICH3_2GNU5_3" MPICH_GNU: "$MPICH3_2GNU7_3"
MPICH_Intel: "$MPICH3_2Intel18_1" MPICH_Intel: "$MPICH3_2Intel18_1"
# ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
PETSc3_9_1MPICH3_2Intel18_1: "Libraries/PETSc/3.9.1/Intel-18.1-MPICH-3.2.1" PETSc3_9_1MPICH3_2Intel18_1: "Libraries/PETSc/3.9.1/Intel-18.1-MPICH-3.2.1"
PETSc3_9_1MPICH3_2GNU5_3: "Libraries/PETSc/3.9.1/GNU-5.3-MPICH-3.2.1" PETSc3_9_1MPICH3_2GNU7_3: "Libraries/PETSc/3.9.1/GNU-7.3-MPICH-3.2.1"
# ------------ Defaults ---------------------------------------------- # ------------ Defaults ----------------------------------------------
PETSc_MPICH_Intel: "$PETSc3_9_1MPICH3_2Intel18_1" PETSc_MPICH_Intel: "$PETSc3_9_1MPICH3_2Intel18_1"
PETSc_MPICH_GNU: "$PETSc3_9_1MPICH3_2GNU5_3" PETSc_MPICH_GNU: "$PETSc3_9_1MPICH3_2GNU7_3"
# ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++ # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
Abaqus2016: "FEM/Abaqus/2016" Abaqus2016: "FEM/Abaqus/2016"
Abaqus2017: "FEM/Abaqus/2017" Abaqus2017: "FEM/Abaqus/2017"

65
CMakeLists.txt
View File

@ -5,8 +5,8 @@ cmake_minimum_required (VERSION 2.8.8 FATAL_ERROR)
#--------------------------------------------------------------------------------------- #---------------------------------------------------------------------------------------
# Find PETSc from system environment # Find PETSc from system environment
set(PETSC_DIR $ENV{PETSC_DIR}) set(PETSC_DIR $ENV{PETSC_DIR})
if ("${PETSC_DIR}" STREQUAL "") if (PETSC_DIR STREQUAL "")
message (FATAL_ERROR "PETSC_DIR is not defined") message (FATAL_ERROR "PETSc location (PETSC_DIR) is not defined")
endif () endif ()
set (petsc_conf_variables "${PETSC_DIR}/lib/petsc/conf/variables") set (petsc_conf_variables "${PETSC_DIR}/lib/petsc/conf/variables")
@ -105,52 +105,54 @@ 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 "SPECTRAL") if (DAMASK_SOLVER STREQUAL "SPECTRAL")
project (DAMASK_spectral Fortran C) project (DAMASK_spectral Fortran C)
add_definitions (-DSpectral) add_definitions (-DSpectral)
message ("Building Spectral Solver\n") message ("Building Spectral Solver\n")
elseif ("${DAMASK_SOLVER}" STREQUAL "FEM") elseif (DAMASK_SOLVER STREQUAL "FEM")
project (DAMASK_FEM Fortran C) project (DAMASK_FEM Fortran C)
add_definitions (-DFEM) add_definitions (-DFEM)
message ("Building FEM Solver\n") message ("Building FEM Solver\n")
else ()
message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined")
endif () endif ()
# set linker commands (needs to be done after defining the project) # set linker commands (needs to be done after defining the project)
set (CMAKE_LINKER "${PETSC_LINKER}") set (CMAKE_LINKER "${PETSC_LINKER}")
if ("${CMAKE_BUILD_TYPE}" STREQUAL "") if (CMAKE_BUILD_TYPE STREQUAL "")
set (CMAKE_BUILD_TYPE "RELEASE") set (CMAKE_BUILD_TYPE "RELEASE")
endif () endif ()
# Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE # Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
if ("${CMAKE_BUILD_TYPE}" STREQUAL "DEBUG" OR "${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY" ) if (CMAKE_BUILD_TYPE STREQUAL "DEBUG" OR CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG") set (DEBUG_FLAGS "${DEBUG_FLAGS} -DDEBUG")
set (PARALLEL "OFF") set (PARALLEL "OFF")
set (OPTI "OFF") set (OPTI "OFF")
elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "RELEASE") elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE")
set (PARALLEL "ON") set (PARALLEL "ON")
set (OPTI "DEFENSIVE") set (OPTI "DEFENSIVE")
elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "PERFORMANCE") elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE")
set (PARALLEL "ON") set (PARALLEL "ON")
set (OPTI "AGGRESSIVE") set (OPTI "AGGRESSIVE")
endif () endif ()
# $OPTIMIZATION takes precedence over $BUILD_TYPE defaults # $OPTIMIZATION takes precedence over $BUILD_TYPE defaults
if ("${OPTIMIZATION}" STREQUAL "") if (OPTIMIZATION STREQUAL "")
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 "")
set (OPENMP "${PARALLEL}") set (OPENMP "${PARALLEL}")
else () else ()
set(OPENMP "${OPENMP}") set(OPENMP "${OPENMP}")
endif () endif ()
# syntax check only (mainly for pre-receive hook, works only with gfortran) # syntax check only (mainly for pre-receive hook, works only with gfortran)
if ("${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY" ) if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only") set (BUILDCMD_POST "${BUILDCMD_POST} -fsyntax-only")
endif () endif ()
@ -188,19 +190,19 @@ set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}")
################################################################################################### ###################################################################################################
# Intel Compiler # Intel Compiler
################################################################################################### ###################################################################################################
if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel") if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
if (OPENMP) if (OPENMP)
set (OPENMP_FLAGS "-qopenmp -parallel") set (OPENMP_FLAGS "-qopenmp -parallel")
endif () endif ()
if ("${OPTIMIZATION}" STREQUAL "OFF") if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0 -no-ip") set (OPTIMIZATION_FLAGS "-O0 -no-ip")
elseif ("${OPTIMIZATION}" STREQUAL "DEFENSIVE") elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2") set (OPTIMIZATION_FLAGS "-O2")
elseif ("${OPTIMIZATION}" STREQUAL "AGGRESSIVE") elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost") set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost" # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
endif () endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules # -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
@ -308,18 +310,18 @@ if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel")
################################################################################################### ###################################################################################################
# GNU Compiler # GNU Compiler
################################################################################################### ###################################################################################################
elseif(${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
if (OPENMP) if (OPENMP)
set (OPENMP_FLAGS "-fopenmp") set (OPENMP_FLAGS "-fopenmp")
endif () endif ()
if ("${OPTIMIZATION}" STREQUAL "OFF") if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" ) set (OPTIMIZATION_FLAGS "-O0" )
elseif ("${OPTIMIZATION}" STREQUAL "DEFENSIVE") elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2") set (OPTIMIZATION_FLAGS "-O2")
elseif ("${OPTIMIZATION}" STREQUAL "AGGRESSIVE") elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize") set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize")
endif () endif ()
set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" ) set (STANDARD_CHECK "-std=f2008ts -pedantic-errors" )
@ -443,12 +445,15 @@ elseif(${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU")
# Additional options # Additional options
# -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4) # -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4)
else ()
message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
endif () endif ()
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${STANDARD_CHECK} ${OPTIMIZATION_FLAGS} ${COMPILE_FLAGS} ${PRECISION_FLAGS}")
set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}") set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${CMAKE_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
if ("${CMAKE_BUILD_TYPE}" STREQUAL "DEBUG") if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}") set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
endif () endif ()
@ -464,15 +469,15 @@ message ("Fortran Linker Command:\n${CMAKE_Fortran_LINK_EXECUTABLE}\n")
add_subdirectory (src) add_subdirectory (src)
# INSTALL BUILT BINARIES # INSTALL BUILT BINARIES
if ("${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY") if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
exec_program (mktemp ARGS -d OUTPUT_VARIABLE BLACK_HOLE) exec_program (mktemp ARGS -d OUTPUT_VARIABLE BLACK_HOLE)
install (PROGRAMS ${PROJECT_BINARY_DIR}/src/prec.mod install (PROGRAMS ${PROJECT_BINARY_DIR}/src/prec.mod
DESTINATION ${BLACK_HOLE}) DESTINATION ${BLACK_HOLE})
else () else ()
if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") if (PROJECT_NAME STREQUAL "DAMASK_spectral")
install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_spectral install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_spectral
DESTINATION ${CMAKE_INSTALL_PREFIX}) DESTINATION ${CMAKE_INSTALL_PREFIX})
elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_FEM install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_FEM
DESTINATION ${CMAKE_INSTALL_PREFIX}) DESTINATION ${CMAKE_INSTALL_PREFIX})
endif () endif ()

1
Makefile
View File

@ -25,7 +25,6 @@ build/FEM:
.PHONY: marc .PHONY: marc
marc: marc:
@./installation/symLink_Code.sh
@./installation/mods_MarcMentat/apply_DAMASK_modifications.sh ${MAKEFLAGS} @./installation/mods_MarcMentat/apply_DAMASK_modifications.sh ${MAKEFLAGS}
.PHONY: clean .PHONY: clean

2
VERSION
View File

@ -1 +1 @@
v2.0.2-22-g60e30e4 v2.0.2-48-gaebb06e

56
examples/SpectralMethod/Polycrystal/orientation.seeds
View File

@ -1,56 +0,0 @@
5 header
seeds_fromRandom v2.0.1-1138-gfcac08c -N 50 -g 128 128 128
grid a 128 b 128 c 128
microstructures 50
randomSeed 3336946323
1_pos 2_pos 3_pos 1_euler 2_euler 3_euler microstructure
0.54457843603947365 0.84911587396210719 0.34846714169395199 146.18027121829002 137.38970467457548 64.889274068548971 1.0
0.30082506347847232 0.98313838966599176 0.44557226838658942 277.4997516434205 39.360506400353323 71.246613676352894 2.0
0.40772634005027159 0.9616152434202665 0.058204060548736787 357.09763745092783 25.490253793203657 268.023521027068 3.0
0.58904198203278091 0.72270060278093695 0.31942765324679046 350.68488850223423 130.4171465853421 250.42731366202318 4.0
0.51285660590703486 0.96889097226822973 0.65275467737350745 23.745542919457275 118.98401463018114 322.60963659419878 5.0
0.78608003485028433 0.83273743685098622 0.46591785719509976 124.52498788960992 100.66865249263579 43.350904777210218 6.0
0.65676045955005913 0.90612854270261067 0.46812684725311626 206.73481508655914 108.36640892186001 80.109515277983789 7.0
0.41091744799856139 0.019203430085754657 0.87577849258950335 294.38492822136715 146.40525644850072 307.47368257125362 8.0
0.2895339668620191 0.44890615451191845 0.98331278676555256 155.95129760119522 47.149690499466338 129.03566717283138 9.0
0.19961281156351873 0.52634383062850942 0.65188451822931848 147.12314868626314 111.70076966247582 118.18572187802707 10.0
0.86414247862963223 0.1358065510164656 0.66025345324864337 164.3847245485006 106.948282223783 169.81246394416348 11.0
0.22971651291623074 0.092972318577821886 0.29406405983067813 152.69170803150587 154.25570085621541 12.482717398044327 12.0
0.26338815658881415 0.34338560362947429 0.55845211616339796 34.576603888911734 112.1396081205236 231.97898012368159 13.0
0.75109304237913643 0.32426372309630619 0.24464858180476037 287.27773986438422 132.7748719439447 29.566044111233396 14.0
0.011464166371603362 0.038504815611266896 0.31848008962612995 3.6027692030412783 128.19004192002171 318.21386202740894 15.0
0.40531294455896061 0.89392258706810201 0.47360685251709117 224.94453046189483 91.073774858498993 174.6238603309032 16.0
0.53642882463725594 0.12961813440684475 0.33670742966203715 275.10050328051165 143.71902154901966 46.372591362351443 17.0
0.025264257063423813 0.86284946730733791 0.67853751997904233 286.09297442950589 84.366012495567063 168.12310601585438 18.0
0.46082042086486502 0.79920741984567956 0.84550103531963372 338.58981410067844 115.61172937509538 33.588172611417498 19.0
0.22570807057805362 0.074166418124772107 0.35703686595525042 123.22376691705952 84.092264279947017 358.5702863996658 20.0
0.05386086781200651 0.33174190751238741 0.22207351758975458 347.73707141532731 68.522081814108546 343.42676588519805 21.0
0.843158604433492 0.92955496315098074 0.64647123931005734 11.343815482295781 80.300931773797004 9.6393328996438079 22.0
0.38975306778625629 0.24157610260940071 0.71161594028191588 321.39703457206355 30.680985581522023 310.97284763119887 23.0
0.29080297238998321 0.7438587097696947 0.27827316089105131 318.66484094014749 129.93793511237541 136.82657482859585 24.0
0.39382389364070247 0.28978401907200979 0.25701142568390795 322.47065731551987 13.846167927307052 301.54027053054892 25.0
0.61050322346481545 0.13737535992809438 0.36661645869662263 352.54143971537871 57.8511858353625 133.84653788992898 26.0
0.79736663927764695 0.20513299822009629 0.79699332479250651 290.58637400802854 44.449209602954802 275.77563923277597 27.0
0.75235587126626513 0.11041486201059918 0.8131872750127791 70.389885527768058 106.61781772242031 249.0896396040977 28.0
0.47139010668774128 0.12192484253468709 0.21955576044612418 82.523861430871293 130.07642048077489 161.94830004765717 29.0
0.58577411200822327 0.55808726366080907 0.68861538513192688 4.5456602316904782 68.430488072013802 279.06105056042912 30.0
0.078221348390348527 0.38485150106633381 0.70002412594863284 44.840105036355524 52.915732353957182 321.10892793267385 31.0
0.67648574989589816 0.36189363050547918 0.1744438641736718 56.290857666353922 79.852422734452261 218.87802771695559 32.0
0.66993786328789628 0.24839196429109262 0.22913111586511459 90.545592617209479 111.73679898243722 50.777738624812869 33.0
0.97253038612350284 0.5008359837170796 0.22908814679929382 258.2784447839781 81.324197699117292 308.75839223966972 34.0
0.57267221923324418 0.57812183688041852 0.27747089968489891 44.241276881211661 104.39672542923724 263.41942696808212 35.0
0.20684173793886379 0.43993013267805814 0.65735383309297513 343.60408990114365 51.644327943351122 302.98734797140071 36.0
0.74510273339709676 0.73117975286639059 0.88155543772031653 318.38483613589898 93.903589849536274 302.06468871599935 37.0
0.96140945332061889 0.16540946028864878 0.40824265860818898 97.086714635901274 130.50888029759304 221.78895191070089 38.0
0.76663076605317781 0.85911002545479809 0.11281299879667539 163.06393615448818 43.363447677950042 338.05013375241901 39.0
0.41268673658765898 0.24787882796675886 0.57686480644197569 200.12920794363012 45.222523931505947 280.23271113977307 40.0
0.77256877568016891 0.88174830744168597 0.85149237688892054 116.81358850313981 71.413890894473454 115.54962789790765 41.0
0.26725724981852333 0.2962688497890511 0.89524301333622525 254.14781916777747 83.176346219908254 33.979304092964192 42.0
0.58047025880020098 0.57494408407976194 0.61595960318628096 334.70268656247265 42.480438737564974 177.92796756121371 43.0
0.52102440567302477 0.7145666401672387 0.21858506378351775 178.43052543384653 153.21174542887405 324.42119289220273 44.0
0.77321583279723483 0.96647383074249249 0.5062943967878929 230.42797261926012 99.507340620849902 169.75007570059978 45.0
0.3364367026326 0.45790436703027437 0.27197669375839439 218.70321774431869 60.819721511735267 217.80859716828817 46.0
0.41823530342173082 0.077759964416919514 0.66113722050248613 189.26108507623661 50.425749120256064 78.019878648192815 47.0
0.8754300454839713 0.094969845269609401 0.42632522145904467 250.899467172654 33.14582034295529 150.05888748377424 48.0
0.1950290416819265 0.59474264558516909 0.93298429220138601 232.236367110732 47.258083025548189 34.83912199551915 49.0
0.91993054481220637 0.48586729788450678 0.10933899155043697 246.05124283375034 131.539860458254 249.58739755697601 50.0

18
src/CMakeLists.txt
View File

@ -1,5 +1,5 @@
# special flags for some files # special flags for some files
if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU") if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
SET_SOURCE_FILES_PROPERTIES( "lattice.f90" PROPERTIES SET_SOURCE_FILES_PROPERTIES( "lattice.f90" PROPERTIES
COMPILE_FLAGS "-ffree-line-length-240") COMPILE_FLAGS "-ffree-line-length-240")
# long lines for interaction matrix # long lines for interaction matrix
@ -17,10 +17,12 @@ list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
add_library(PREC OBJECT "prec.f90") add_library(PREC OBJECT "prec.f90")
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(DAMASK_INTERFACE OBJECT "spectral_interface.f90") add_library(DAMASK_INTERFACE OBJECT "spectral_interface.f90")
elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(DAMASK_INTERFACE OBJECT "FEM_interface.f90") add_library(DAMASK_INTERFACE OBJECT "FEM_interface.f90")
else ()
message (FATAL_ERROR "Build target (PROJECT_NAME) is not defined")
endif() endif()
add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES) add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>)
@ -54,11 +56,11 @@ add_dependencies(DAMASK_MATH FEsolving)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_MATH>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_MATH>)
# SPECTRAL solver and FEM solver use different mesh files # SPECTRAL solver and FEM solver use different mesh files
if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(MESH OBJECT "mesh.f90") add_library(MESH OBJECT "mesh.f90")
add_dependencies(MESH DAMASK_MATH) add_dependencies(MESH DAMASK_MATH)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:MESH>)
elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(FEZoo OBJECT "FEZoo.f90") add_library(FEZoo OBJECT "FEZoo.f90")
add_dependencies(FEZoo DAMASK_MATH) add_dependencies(FEZoo DAMASK_MATH)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEZoo>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEZoo>)
@ -165,7 +167,7 @@ add_library(DAMASK_CPFE OBJECT "CPFEM2.f90")
add_dependencies(DAMASK_CPFE DAMASK_ENGINE) add_dependencies(DAMASK_CPFE DAMASK_ENGINE)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_CPFE>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_CPFE>)
if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(SPECTRAL_UTILITIES OBJECT "spectral_utilities.f90") add_library(SPECTRAL_UTILITIES OBJECT "spectral_utilities.f90")
add_dependencies(SPECTRAL_UTILITIES DAMASK_CPFE) add_dependencies(SPECTRAL_UTILITIES DAMASK_CPFE)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_UTILITIES>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_UTILITIES>)
@ -177,13 +179,13 @@ if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral")
"spectral_mech_Basic.f90") "spectral_mech_Basic.f90")
add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES) add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_SOLVER>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:SPECTRAL_SOLVER>)
if(NOT "${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY") if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES}) add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES})
else() else()
add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90") add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90")
endif() endif()
add_dependencies(DAMASK_spectral SPECTRAL_SOLVER) add_dependencies(DAMASK_spectral SPECTRAL_SOLVER)
elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90") add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90")
add_dependencies(FEM_UTILITIES DAMASK_CPFE) add_dependencies(FEM_UTILITIES DAMASK_CPFE)

12
src/DAMASK_spectral.f90
View File

@ -355,8 +355,8 @@ program DAMASK_spectral
select case (loadCases(1)%ID(field)) select case (loadCases(1)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasic_label)
call basicPETSc_init call basic_init
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
@ -513,8 +513,8 @@ program DAMASK_spectral
select case(loadCases(currentLoadCase)%ID(field)) select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasic_label)
call BasicPETSc_forward (& call Basic_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
@ -542,8 +542,8 @@ program DAMASK_spectral
select case(loadCases(currentLoadCase)%ID(field)) select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasic_label)
solres(field) = BasicPETSC_solution (& solres(field) = Basic_solution (&
incInfo,timeinc,timeIncOld, & incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)

133
src/math.f90
View File

@ -1819,6 +1819,8 @@ function math_sampleFiberOri(alpha,beta,FWHM)
integer(pInt):: j,& !< index of smallest component integer(pInt):: j,& !< index of smallest component
i i
allocate(a(0))
allocate(idx(0))
fInC = [sin(alpha(1))*cos(alpha(2)), sin(alpha(1))*sin(alpha(2)), cos(alpha(1))] fInC = [sin(alpha(1))*cos(alpha(2)), sin(alpha(1))*sin(alpha(2)), cos(alpha(1))]
fInS = [sin(beta(1))*cos(beta(2)), sin(beta(1))*sin(beta(2)), cos(beta(1))] fInS = [sin(beta(1))*cos(beta(2)), sin(beta(1))*sin(beta(2)), cos(beta(1))]
@ -2631,135 +2633,4 @@ real(pReal) pure function math_limit(a, left, right)
end function math_limit end function math_limit
!--------------------------------------------------------------------------------------------------
!> @brief Modified Bessel I function of order 0
!> @author John Burkardt
!> @details original version available on https://people.sc.fsu.edu/~jburkardt/f_src/toms715/toms715.html
!--------------------------------------------------------------------------------------------------
real(pReal) function bessel_i0 (x)
use, intrinsic :: IEEE_ARITHMETIC
implicit none
real(pReal), intent(in) :: x
integer(pInt) :: i
real(pReal) :: sump_p, sump_q, xAbs, xx
real(pReal), parameter, dimension(15) :: p_small = real( &
[-5.2487866627945699800e-18, -1.5982226675653184646e-14, -2.6843448573468483278e-11, &
-3.0517226450451067446e-08, -2.5172644670688975051e-05, -1.5453977791786851041e-02, &
-7.0935347449210549190e+00, -2.4125195876041896775e+03, -5.9545626019847898221e+05, &
-1.0313066708737980747e+08, -1.1912746104985237192e+10, -8.4925101247114157499e+11, &
-3.2940087627407749166e+13, -5.5050369673018427753e+14, -2.2335582639474375249e+15], pReal)
real(pReal), parameter, dimension(5) :: q_small = real( &
[-3.7277560179962773046e+03, 6.5158506418655165707e+06, -6.5626560740833869295e+09, &
3.7604188704092954661e+12, -9.7087946179594019126e+14], pReal)
real(pReal), parameter, dimension(8) :: p_large = real( &
[-3.9843750000000000000e-01, 2.9205384596336793945e+00, -2.4708469169133954315e+00, &
4.7914889422856814203e-01, -3.7384991926068969150e-03, -2.6801520353328635310e-03, &
9.9168777670983678974e-05, -2.1877128189032726730e-06], pReal)
real(pReal), parameter, dimension(7) :: q_large = real( &
[-3.1446690275135491500e+01, 8.5539563258012929600e+01, -6.0228002066743340583e+01, &
1.3982595353892851542e+01, -1.1151759188741312645e+00, 3.2547697594819615062e-02, &
-5.5194330231005480228e-04], pReal)
xAbs = abs(x)
argRange: if (xAbs < 5.55e-17_pReal) then
bessel_i0 = 1.0_pReal
else if (xAbs < 15.0_pReal) then argRange
xx = xAbs**2.0_pReal
sump_p = p_small(1)
do i = 2, 15
sump_p = sump_p * xx + p_small(i)
end do
xx = xx - 225.0_pReal
sump_q = ((((xx+q_small(1))*xx+q_small(2))*xx+q_small(3))*xx+q_small(4))*xx+q_small(5)
bessel_i0 = sump_p / sump_q
else if (xAbs <= 713.986_pReal) then argRange
xx = 1.0_pReal / xAbs - 2.0_pReal/30.0_pReal
sump_p = ((((((p_large(1)*xx+p_large(2))*xx+p_large(3))*xx+p_large(4))*xx+ &
p_large(5))*xx+p_large(6))*xx+p_large(7))*xx+p_large(8)
sump_q = ((((((xx+q_large(1))*xx+q_large(2))*xx+q_large(3))*xx+ &
q_large(4))*xx+q_large(5))*xx+q_large(6))*xx+q_large(7)
bessel_i0 = sump_p / sump_q
avoidOverflow: if (xAbs > 698.986_pReal) then
bessel_i0 = ((bessel_i0*exp(xAbs-40.0_pReal)-p_large(1)*exp(xAbs-40.0_pReal))/sqrt(xAbs))*exp(40.0)
else avoidOverflow
bessel_i0 = ((bessel_i0*exp(xAbs)-p_large(1)*exp(xAbs))/sqrt(xAbs))
endif avoidOverflow
else argRange
bessel_i0 = IEEE_value(bessel_i0,IEEE_positive_inf)
end if argRange
end function bessel_i0
!--------------------------------------------------------------------------------------------------
!> @brief Modified Bessel I function of order 1
!> @author John Burkardt
!> @details original version available on https://people.sc.fsu.edu/~jburkardt/f_src/toms715/toms715.html
!--------------------------------------------------------------------------------------------------
real(pReal) function bessel_i1 (x)
use, intrinsic :: IEEE_ARITHMETIC
implicit none
real(pReal), intent(in) :: x
integer(pInt) :: i
real(pReal) :: sump_p, sump_q, xAbs, xx
real(pReal), dimension(15), parameter :: p_small = real( &
[-1.9705291802535139930e-19, -6.5245515583151902910e-16, -1.1928788903603238754e-12, &
-1.4831904935994647675e-09, -1.3466829827635152875e-06, -9.1746443287817501309e-04, &
-4.7207090827310162436e-01, -1.8225946631657315931e+02, -5.1894091982308017540e+04, &
-1.0588550724769347106e+07, -1.4828267606612366099e+09, -1.3357437682275493024e+11, &
-6.9876779648010090070e+12, -1.7732037840791591320e+14, -1.4577180278143463643e+15], pReal)
real(pReal), dimension(5), parameter :: q_small = real( &
[-4.0076864679904189921e+03, 7.4810580356655069138e+06, -8.0059518998619764991e+09, &
4.8544714258273622913e+12, -1.3218168307321442305e+15], pReal)
real(pReal), dimension(8), parameter :: p_large = real( &
[-6.0437159056137600000e-02, 4.5748122901933459000e-01, -4.2843766903304806403e-01, &
9.7356000150886612134e-02, -3.2457723974465568321e-03, -3.6395264712121795296e-04, &
1.6258661867440836395e-05, -3.6347578404608223492e-07], pReal)
real(pReal), dimension(6), parameter :: q_large = real( &
[-3.8806586721556593450e+00, 3.2593714889036996297e+00, -8.5017476463217924408e-01, &
7.4212010813186530069e-02, -2.2835624489492512649e-03, 3.7510433111922824643e-05], pReal)
real(pReal), parameter :: pbar = 3.98437500e-01
xAbs = abs(x)
argRange: if (xAbs < 5.55e-17_pReal) then
bessel_i1 = 0.5_pReal * xAbs
else if (xAbs < 15.0_pReal) then argRange
xx = xAbs**2.0_pReal
sump_p = p_small(1)
do i = 2, 15
sump_p = sump_p * xx + p_small(i)
end do
xx = xx - 225.0_pReal
sump_q = ((((xx+q_small(1))*xx+q_small(2))*xx+q_small(3))*xx+q_small(4)) * xx + q_small(5)
bessel_i1 = (sump_p / sump_q) * xAbs
else if (xAbs <= 713.986_pReal) then argRange
xx = 1.0_pReal / xAbs - 2.0_pReal/30.0_pReal
sump_p = ((((((p_large(1)*xx+p_large(2))*xx+p_large(3))*xx+p_large(4))*xx+&
p_large(5))*xx+p_large(6))*xx+p_large(7))*xx+p_large(8)
sump_q = (((((xx+q_large(1))*xx+q_large(2))*xx+q_large(3))*xx+ q_large(4))*xx+q_large(5))*xx+q_large(6)
bessel_i1 = sump_p / sump_q
avoidOverflow: if (xAbs > 698.986_pReal) then
bessel_i1 = ((bessel_i1 * exp(xAbs-40.0_pReal) + pbar * exp(xAbs-40.0_pReal)) / sqrt(xAbs)) * exp(40.0_pReal)
else avoidOverflow
bessel_i1 = ((bessel_i1 * exp(xAbs) + pbar * exp(xAbs)) / sqrt(xAbs))
endif avoidOverflow
else argRange
bessel_i1 = IEEE_value(bessel_i1,IEEE_positive_inf)
end if argRange
if (x < 0.0_pReal) bessel_i1 = -bessel_i1
end function bessel_i1
end module math end module math

106
src/plastic_kinematichardening.f90
View File

@ -12,32 +12,32 @@ module plastic_kinehardening
implicit none implicit none
private private
integer(pInt), dimension(:), allocatable, public, protected :: & integer(pInt), dimension(:), allocatable, public, protected :: &
plastic_kinehardening_sizePostResults !< cumulative size of post results plastic_kinehardening_sizePostResults !< cumulative size of post results
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
plastic_kinehardening_sizePostResult !< size of each post result output plastic_kinehardening_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_kinehardening_output !< name of each post result output plastic_kinehardening_output !< name of each post result output
integer(pInt), dimension(:), allocatable, target, public :: & integer(pInt), dimension(:), allocatable, target, public :: &
plastic_kinehardening_Noutput !< number of outputs per instance plastic_kinehardening_Noutput !< number of outputs per instance
integer(pInt), dimension(:), allocatable, public, protected :: & integer(pInt), dimension(:), allocatable, public, protected :: &
plastic_kinehardening_totalNslip !< no. of slip system used in simulation plastic_kinehardening_totalNslip !< no. of slip system used in simulation
integer(pInt), dimension(:,:), allocatable, private :: & integer(pInt), dimension(:,:), allocatable, private :: &
plastic_kinehardening_Nslip !< active number of slip systems per family (input parameter, per family) plastic_kinehardening_Nslip !< active number of slip systems per family (input parameter, per family)
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
crss_ID, & !< critical resolved stress crss_ID, & !< critical resolved stress
crss_back_ID, & !< critical resolved back stress crss_back_ID, & !< critical resolved back stress
sense_ID, & !< sense of acting shear stress (-1 or +1) sense_ID, & !< sense of acting shear stress (-1 or +1)
chi0_ID, & !< backstress at last switch of stress sense (positive?) chi0_ID, & !< backstress at last switch of stress sense (positive?)
gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?) gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?)
accshear_ID, & accshear_ID, &
sumGamma_ID, & sumGamma_ID, &
shearrate_ID, & shearrate_ID, &
@ -46,26 +46,26 @@ module plastic_kinehardening
end enum end enum
type, private :: tParameters !< container type for internal constitutive parameters type, private :: tParameters !< container type for internal constitutive parameters
integer(kind(undefined_ID)), dimension(:), allocatable, private :: & integer(kind(undefined_ID)), dimension(:), allocatable, private :: &
outputID !< ID of each post result output outputID !< ID of each post result output
real(pReal) :: & real(pReal) :: &
gdot0, & !< reference shear strain rate for slip (input parameter) gdot0, & !< reference shear strain rate for slip (input parameter)
n_slip, & !< stress exponent for slip (input parameter) n_slip, & !< stress exponent for slip (input parameter)
aTolResistance, & aTolResistance, &
aTolShear aTolShear
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
crss0, & !< initial critical shear stress for slip (input parameter, per family) crss0, & !< initial critical shear stress for slip (input parameter, per family)
theta0, & !< initial hardening rate of forward stress for each slip theta0, & !< initial hardening rate of forward stress for each slip
theta1, & !< asymptotic hardening rate of forward stress for each slip > theta1, & !< asymptotic hardening rate of forward stress for each slip >
theta0_b, & !< initial hardening rate of back stress for each slip > theta0_b, & !< initial hardening rate of back stress for each slip >
theta1_b, & !< asymptotic hardening rate of back stress for each slip > theta1_b, & !< asymptotic hardening rate of back stress for each slip >
tau1, & tau1, &
tau1_b, & tau1_b, &
interaction_slipslip, & !< latent hardening matrix interaction_slipslip, & !< latent hardening matrix
nonSchmidCoeff nonSchmidCoeff
real(pReal), dimension(:,:), allocatable, private :: & real(pReal), dimension(:,:), allocatable, private :: &
@ -73,20 +73,20 @@ module plastic_kinehardening
end type end type
type, private :: tKinehardeningState type, private :: tKinehardeningState
real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance
crss, & !< critical resolved stress crss, & !< critical resolved stress
crss_back, & !< critical resolved back stress crss_back, & !< critical resolved back stress
sense, & !< sense of acting shear stress (-1 or +1) sense, & !< sense of acting shear stress (-1 or +1)
chi0, & !< backstress at last switch of stress sense chi0, & !< backstress at last switch of stress sense
gamma0, & !< accumulated shear at last switch of stress sense gamma0, & !< accumulated shear at last switch of stress sense
accshear !< accumulated (absolute) shear accshear !< accumulated (absolute) shear
real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance
sumGamma !< accumulated shear across all systems sumGamma !< accumulated shear across all systems
end type end type
type(tParameters), dimension(:), allocatable, private :: & type(tParameters), dimension(:), allocatable, private :: &
param !< containers of constitutive parameters (len Ninstance) param !< containers of constitutive parameters (len Ninstance)
type(tKinehardeningState), allocatable, dimension(:), private :: & type(tKinehardeningState), allocatable, dimension(:), private :: &
dotState, & dotState, &
@ -156,9 +156,10 @@ subroutine plastic_kinehardening_init(fileUnit)
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt), allocatable, dimension(:) :: chunkPos
integer(kind(undefined_ID)) :: &
output_ID
integer(pInt) :: & integer(pInt) :: &
o, j, k, f, & o, j, k, f, &
output_ID, &
phase, & phase, &
instance, & instance, &
maxNinstance, & maxNinstance, &
@ -178,8 +179,6 @@ subroutine plastic_kinehardening_init(fileUnit)
tag = '', & tag = '', &
line = '', & line = '', &
extmsg = '' extmsg = ''
character(len=64) :: &
outputtag = ''
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_KINEHARDENING_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_KINEHARDENING_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
@ -221,7 +220,6 @@ subroutine plastic_kinehardening_init(fileUnit)
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) ! maximum number of slip families according to lattice type of current phase Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) ! maximum number of slip families according to lattice type of current phase
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
Nchunks_nonSchmid = lattice_NnonSchmid(phase) Nchunks_nonSchmid = lattice_NnonSchmid(phase)
allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID) ! allocate space for IDs of every requested output
allocate(param(instance)%crss0 (Nchunks_SlipFamilies), source=0.0_pReal) allocate(param(instance)%crss0 (Nchunks_SlipFamilies), source=0.0_pReal)
allocate(param(instance)%tau1 (Nchunks_SlipFamilies), source=0.0_pReal) allocate(param(instance)%tau1 (Nchunks_SlipFamilies), source=0.0_pReal)
allocate(param(instance)%tau1_b (Nchunks_SlipFamilies), source=0.0_pReal) allocate(param(instance)%tau1_b (Nchunks_SlipFamilies), source=0.0_pReal)
@ -237,39 +235,48 @@ subroutine plastic_kinehardening_init(fileUnit)
cycle ! skip to next line cycle ! skip to next line
endif endif
if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('(output)') case ('(output)')
outputtag = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
output_ID = undefined_ID output_ID = undefined_ID
select case(outputtag) select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt)))
case ('resistance') case ('resistance')
output_ID = crss_ID output_ID = crss_ID
case ('backstress') case ('backstress')
output_ID = crss_back_ID output_ID = crss_back_ID
case ('sense') case ('sense')
output_ID = sense_ID output_ID = sense_ID
case ('chi0') case ('chi0')
output_ID = chi0_ID output_ID = chi0_ID
case ('gamma0') case ('gamma0')
output_ID = gamma0_ID output_ID = gamma0_ID
case ('accumulatedshear') case ('accumulatedshear')
output_ID = accshear_ID output_ID = accshear_ID
case ('totalshear') case ('totalshear')
output_ID = sumGamma_ID output_ID = sumGamma_ID
case ('shearrate') case ('shearrate')
output_ID = shearrate_ID output_ID = shearrate_ID
case ('resolvedstress') case ('resolvedstress')
output_ID = resolvedstress_ID output_ID = resolvedstress_ID
end select end select
if (output_ID /= undefined_ID) then if (output_ID /= undefined_ID) then
plastic_kinehardening_Noutput(instance) = plastic_kinehardening_Noutput(instance) + 1_pInt plastic_kinehardening_Noutput(instance) = plastic_kinehardening_Noutput(instance) + 1_pInt
plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = outputtag plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = &
param(instance)%outputID (plastic_kinehardening_Noutput(instance)) = output_ID IO_lc(IO_stringValue(line,chunkPos,2_pInt))
param(instance)%outputID = [param(instance)%outputID, output_ID]
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! parameters depending on number of slip families ! parameters depending on number of slip families
case ('nslip') case ('nslip')
@ -620,7 +627,6 @@ subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dTstar99, &
math_transpose33 math_transpose33
use lattice, only: & use lattice, only: &
lattice_Sslip, & !< schmid matrix lattice_Sslip, & !< schmid matrix
lattice_Sslip_v, &
lattice_maxNslipFamily, & lattice_maxNslipFamily, &
lattice_NslipSystem, & lattice_NslipSystem, &
lattice_NnonSchmid lattice_NnonSchmid
@ -740,8 +746,6 @@ subroutine plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el)
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
el !< element el !< element
real(pReal), dimension(6) :: &
Tstar_dev_v !< deviatoric 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: & real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: &
gdot_pos,gdot_neg, & gdot_pos,gdot_neg, &
tau_pos,tau_neg, & tau_pos,tau_neg, &
@ -800,14 +804,10 @@ end subroutine plastic_kinehardening_deltaState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el) subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el)
use lattice, only: & use lattice, only: &
lattice_Sslip_v, & lattice_maxNslipFamily
lattice_maxNslipFamily, &
lattice_NslipSystem, &
lattice_NnonSchmid
use material, only: & use material, only: &
material_phase, & material_phase, &
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
plasticState, &
phase_plasticityInstance phase_plasticityInstance
implicit none implicit none
@ -820,10 +820,8 @@ subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el)
integer(pInt) :: & integer(pInt) :: &
instance,ph, & instance,ph, &
f,i,j,k, & f,i,j, &
index_myFamily,index_otherFamily, &
nSlip, & nSlip, &
offset_accshear, &
of of
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
@ -874,14 +872,12 @@ end subroutine plastic_kinehardening_dotState
function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el) function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el)
use material, only: & use material, only: &
material_phase, & material_phase, &
plasticState, &
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: & use lattice, only: &
lattice_Sslip_v, & lattice_Sslip_v, &
lattice_maxNslipFamily, & lattice_maxNslipFamily, &
lattice_NslipSystem, & lattice_NslipSystem
lattice_NnonSchmid
implicit none implicit none
real(pReal), dimension(6), intent(in) :: & real(pReal), dimension(6), intent(in) :: &
@ -897,7 +893,7 @@ function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el)
integer(pInt) :: & integer(pInt) :: &
instance,ph, of, & instance,ph, of, &
nSlip,& nSlip,&
o,f,i,c,j,k, & o,f,i,c,j,&
index_myFamily index_myFamily
real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &

46
src/spectral_mech_Basic.f90
View File

@ -2,7 +2,7 @@
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Basic scheme PETSc solver !> @brief Basic scheme solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module spectral_mech_basic module spectral_mech_basic
#include <petsc/finclude/petscsnes.h> #include <petsc/finclude/petscsnes.h>
@ -22,7 +22,7 @@ module spectral_mech_basic
private private
character (len=*), parameter, public :: & character (len=*), parameter, public :: &
DAMASK_spectral_SolverBasicPETSC_label = 'basic' DAMASK_spectral_SolverBasic_label = 'basic'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! derived types ! derived types
@ -65,9 +65,9 @@ module spectral_mech_basic
real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal
public :: & public :: &
basicPETSc_init, & basic_init, &
basicPETSc_solution, & basic_solution, &
BasicPETSc_forward basic_forward
external :: & external :: &
PETScErrorF ! is called in the CHKERRQ macro PETScErrorF ! is called in the CHKERRQ macro
@ -76,7 +76,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info !> @brief allocates all necessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine basicPETSc_init subroutine basic_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: & use, intrinsic :: iso_fortran_env, only: &
compiler_version, & compiler_version, &
@ -124,9 +124,9 @@ subroutine basicPETSc_init
external :: & external :: &
SNESSetOptionsPrefix, & SNESSetOptionsPrefix, &
SNESSetConvergenceTest, & SNESSetConvergenceTest, &
DMDASNESsetFunctionLocal DMDASNESSetFunctionLocal
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasic init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
@ -158,9 +158,9 @@ subroutine basicPETSc_init
call DMsetFromOptions(da,ierr); CHKERRQ(ierr) call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
call DMsetUp(da,ierr); CHKERRQ(ierr) call DMsetUp(da,ierr); CHKERRQ(ierr)
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor) call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESsetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged" call SNESsetConvergenceTest(snes,Basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr) CHKERRQ(ierr)
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
@ -212,12 +212,12 @@ subroutine basicPETSc_init
call Utilities_updateGamma(C_minMaxAvg,.true.) call Utilities_updateGamma(C_minMaxAvg,.true.)
end subroutine basicPETSc_init end subroutine basic_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solution for the Basic PETSC scheme with internal iterations !> @brief solution for the Basic scheme with internal iterations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC)
use IO, only: & use IO, only: &
IO_error IO_error
use numerics, only: & use numerics, only: &
@ -275,19 +275,19 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
! check convergence ! check convergence
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
BasicPETSc_solution%converged = reason > 0 basic_solution%converged = reason > 0
basicPETSC_solution%iterationsNeeded = totalIter basic_solution%iterationsNeeded = totalIter
basicPETSc_solution%termIll = terminallyIll basic_solution%termIll = terminallyIll
terminallyIll = .false. terminallyIll = .false.
if (reason == -4) call IO_error(893_pInt) ! MPI error if (reason == -4) call IO_error(893_pInt) ! MPI error
end function BasicPETSc_solution end function basic_solution
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forms the basic residual vector !> @brief forms the basic residual vector
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr) subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin itmin
@ -370,13 +370,13 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
! constructing residual ! constructing residual
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
end subroutine BasicPETSc_formResidual end subroutine Basic_formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief convergence check !> @brief convergence check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr) subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
use numerics, only: & use numerics, only: &
itmax, & itmax, &
itmin, & itmin, &
@ -425,14 +425,14 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du
write(6,'(/,a)') ' ===========================================================================' write(6,'(/,a)') ' ==========================================================================='
flush(6) flush(6)
end subroutine BasicPETSc_converged end subroutine Basic_converged
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief forwarding routine !> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep !> @details find new boundary conditions and best F estimate for end of current timestep
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates !> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC) subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
use math, only: & use math, only: &
math_mul33x33 ,& math_mul33x33 ,&
math_rotate_backward33 math_rotate_backward33
@ -538,6 +538,6 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3]) math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine BasicPETSc_forward end subroutine Basic_forward
end module spectral_mech_basic end module spectral_mech_basic