diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 6cc082346..169deca26 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -52,23 +52,23 @@ variables: IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016" IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017" IntelCompiler18_1: "Compiler/Intel/18.1 Libraries/IMKL/2018" - GNUCompiler5_3: "Compiler/GNU/5.3" + GNUCompiler7_3: "Compiler/GNU/7.3" # ------------ Defaults ---------------------------------------------- IntelCompiler: "$IntelCompiler18_1" - GNUCompiler: "$GNUCompiler5_3" + GNUCompiler: "$GNUCompiler7_3" # ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++ MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2" MPICH3_2Intel18_1: "MPI/Intel/18.1/MPICH/3.2.1" - MPICH3_2GNU5_3: "MPI/GNU/5.3/MPICH/3.2.1" + MPICH3_2GNU7_3: "MPI/GNU/7.3/MPICH/3.2.1" # ------------ Defaults ---------------------------------------------- - MPICH_GNU: "$MPICH3_2GNU5_3" + MPICH_GNU: "$MPICH3_2GNU7_3" MPICH_Intel: "$MPICH3_2Intel18_1" # ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++ 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 ---------------------------------------------- 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 +++++++++++++++++++++++++++++++++++++++++++++++++++ Abaqus2016: "FEM/Abaqus/2016" Abaqus2017: "FEM/Abaqus/2017" diff --git a/CMakeLists.txt b/CMakeLists.txt index cd33a4b31..ee376ef02 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -5,8 +5,8 @@ cmake_minimum_required (VERSION 2.8.8 FATAL_ERROR) #--------------------------------------------------------------------------------------- # Find PETSc from system environment set(PETSC_DIR $ENV{PETSC_DIR}) -if ("${PETSC_DIR}" STREQUAL "") - message (FATAL_ERROR "PETSC_DIR is not defined") +if (PETSC_DIR STREQUAL "") + message (FATAL_ERROR "PETSc location (PETSC_DIR) is not defined") endif () 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 # DAMASK solver defines project to build -if ("${DAMASK_SOLVER}" STREQUAL "SPECTRAL") +if (DAMASK_SOLVER STREQUAL "SPECTRAL") project (DAMASK_spectral Fortran C) add_definitions (-DSpectral) message ("Building Spectral Solver\n") -elseif ("${DAMASK_SOLVER}" STREQUAL "FEM") +elseif (DAMASK_SOLVER STREQUAL "FEM") project (DAMASK_FEM Fortran C) add_definitions (-DFEM) message ("Building FEM Solver\n") +else () + message (FATAL_ERROR "Build target (DAMASK_SOLVER) is not defined") endif () # set linker commands (needs to be done after defining the project) set (CMAKE_LINKER "${PETSC_LINKER}") -if ("${CMAKE_BUILD_TYPE}" STREQUAL "") +if (CMAKE_BUILD_TYPE STREQUAL "") set (CMAKE_BUILD_TYPE "RELEASE") endif () # 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 "${DEBUG_FLAGS} -DDEBUG") set (PARALLEL "OFF") set (OPTI "OFF") -elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "RELEASE") +elseif (CMAKE_BUILD_TYPE STREQUAL "RELEASE") set (PARALLEL "ON") set (OPTI "DEFENSIVE") -elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "PERFORMANCE") +elseif (CMAKE_BUILD_TYPE STREQUAL "PERFORMANCE") set (PARALLEL "ON") set (OPTI "AGGRESSIVE") endif () # $OPTIMIZATION takes precedence over $BUILD_TYPE defaults -if ("${OPTIMIZATION}" STREQUAL "") +if (OPTIMIZATION STREQUAL "") set (OPTIMIZATION "${OPTI}") else () set (OPTIMIZATION "${OPTIMIZATION}") endif () # $OPENMP takes precedence over $BUILD_TYPE defaults -if ("${OPENMP}" STREQUAL "") +if (OPENMP STREQUAL "") set (OPENMP "${PARALLEL}") else () set(OPENMP "${OPENMP}") endif () # 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") endif () @@ -188,19 +190,19 @@ set (DAMASK_INCLUDE_FLAGS "${DAMASK_INCLUDE_FLAGS} ${PETSC_INCLUDES}") ################################################################################################### # Intel Compiler ################################################################################################### -if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel") +if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") if (OPENMP) set (OPENMP_FLAGS "-qopenmp -parallel") endif () - if ("${OPTIMIZATION}" STREQUAL "OFF") - set (OPTIMIZATION_FLAGS "-O0 -no-ip") - elseif ("${OPTIMIZATION}" STREQUAL "DEFENSIVE") - set (OPTIMIZATION_FLAGS "-O2") - elseif ("${OPTIMIZATION}" STREQUAL "AGGRESSIVE") - set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost") - # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost" + if (OPTIMIZATION STREQUAL "OFF") + set (OPTIMIZATION_FLAGS "-O0 -no-ip") + elseif (OPTIMIZATION STREQUAL "DEFENSIVE") + set (OPTIMIZATION_FLAGS "-O2") + elseif (OPTIMIZATION STREQUAL "AGGRESSIVE") + set (OPTIMIZATION_FLAGS "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost") + # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost" endif () # -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules @@ -308,18 +310,18 @@ if (${CMAKE_Fortran_COMPILER_ID} STREQUAL "Intel") ################################################################################################### # GNU Compiler ################################################################################################### -elseif(${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU") +elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") if (OPENMP) set (OPENMP_FLAGS "-fopenmp") endif () - if ("${OPTIMIZATION}" STREQUAL "OFF") - set (OPTIMIZATION_FLAGS "-O0" ) - elseif ("${OPTIMIZATION}" STREQUAL "DEFENSIVE") - set (OPTIMIZATION_FLAGS "-O2") - elseif ("${OPTIMIZATION}" STREQUAL "AGGRESSIVE") - set (OPTIMIZATION_FLAGS "-O3 -ffast-math -funroll-loops -ftree-vectorize") + 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" ) @@ -443,12 +445,15 @@ elseif(${CMAKE_Fortran_COMPILER_ID} STREQUAL "GNU") # Additional options # -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4) +else () + message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized") endif () + set (CMAKE_Fortran_FLAGS_${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} ${LINKER_FLAGS}") -if ("${CMAKE_BUILD_TYPE}" STREQUAL "DEBUG") +if (CMAKE_BUILD_TYPE STREQUAL "DEBUG") set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}") set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}") endif () @@ -464,15 +469,15 @@ message ("Fortran Linker Command:\n${CMAKE_Fortran_LINK_EXECUTABLE}\n") add_subdirectory (src) # INSTALL BUILT BINARIES -if ("${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY") +if (CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") exec_program (mktemp ARGS -d OUTPUT_VARIABLE BLACK_HOLE) install (PROGRAMS ${PROJECT_BINARY_DIR}/src/prec.mod DESTINATION ${BLACK_HOLE}) else () - if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") + if (PROJECT_NAME STREQUAL "DAMASK_spectral") install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_spectral DESTINATION ${CMAKE_INSTALL_PREFIX}) - elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") + elseif (PROJECT_NAME STREQUAL "DAMASK_FEM") install (PROGRAMS ${PROJECT_BINARY_DIR}/src/DAMASK_FEM DESTINATION ${CMAKE_INSTALL_PREFIX}) endif () diff --git a/Makefile b/Makefile index 0ba67963e..4149078d1 100644 --- a/Makefile +++ b/Makefile @@ -25,7 +25,6 @@ build/FEM: .PHONY: marc marc: - @./installation/symLink_Code.sh @./installation/mods_MarcMentat/apply_DAMASK_modifications.sh ${MAKEFLAGS} .PHONY: clean diff --git a/VERSION b/VERSION index 88f0b9112..6c338b298 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-22-g60e30e4 +v2.0.2-48-gaebb06e diff --git a/examples/SpectralMethod/Polycrystal/orientation.seeds b/examples/SpectralMethod/Polycrystal/orientation.seeds deleted file mode 100644 index bcc091cc8..000000000 --- a/examples/SpectralMethod/Polycrystal/orientation.seeds +++ /dev/null @@ -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 diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 516747f8b..5cfd30835 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1,5 +1,5 @@ # 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 COMPILE_FLAGS "-ffree-line-length-240") # long lines for interaction matrix @@ -17,10 +17,12 @@ list(APPEND OBJECTFILES $) add_library(PREC OBJECT "prec.f90") list(APPEND OBJECTFILES $) -if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") +if (PROJECT_NAME STREQUAL "DAMASK_spectral") 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") +else () + message (FATAL_ERROR "Build target (PROJECT_NAME) is not defined") endif() add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES) list(APPEND OBJECTFILES $) @@ -54,11 +56,11 @@ add_dependencies(DAMASK_MATH FEsolving) list(APPEND OBJECTFILES $) # SPECTRAL solver and FEM solver use different mesh files -if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") +if (PROJECT_NAME STREQUAL "DAMASK_spectral") add_library(MESH OBJECT "mesh.f90") add_dependencies(MESH DAMASK_MATH) list(APPEND OBJECTFILES $) -elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") +elseif (PROJECT_NAME STREQUAL "DAMASK_FEM") add_library(FEZoo OBJECT "FEZoo.f90") add_dependencies(FEZoo DAMASK_MATH) list(APPEND OBJECTFILES $) @@ -165,7 +167,7 @@ add_library(DAMASK_CPFE OBJECT "CPFEM2.f90") add_dependencies(DAMASK_CPFE DAMASK_ENGINE) list(APPEND OBJECTFILES $) -if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") +if (PROJECT_NAME STREQUAL "DAMASK_spectral") add_library(SPECTRAL_UTILITIES OBJECT "spectral_utilities.f90") add_dependencies(SPECTRAL_UTILITIES DAMASK_CPFE) list(APPEND OBJECTFILES $) @@ -177,13 +179,13 @@ if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") "spectral_mech_Basic.f90") add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES) list(APPEND OBJECTFILES $) - if(NOT "${CMAKE_BUILD_TYPE}" STREQUAL "SYNTAXONLY") + if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY") add_executable(DAMASK_spectral "DAMASK_spectral.f90" ${OBJECTFILES}) else() add_library(DAMASK_spectral OBJECT "DAMASK_spectral.f90") endif() add_dependencies(DAMASK_spectral SPECTRAL_SOLVER) -elseif ("${PROJECT_NAME}" STREQUAL "DAMASK_FEM") +elseif (PROJECT_NAME STREQUAL "DAMASK_FEM") add_library(FEM_UTILITIES OBJECT "FEM_utilities.f90") add_dependencies(FEM_UTILITIES DAMASK_CPFE) diff --git a/src/DAMASK_spectral.f90 b/src/DAMASK_spectral.f90 index f340b683d..0d77c57f5 100644 --- a/src/DAMASK_spectral.f90 +++ b/src/DAMASK_spectral.f90 @@ -355,8 +355,8 @@ program DAMASK_spectral select case (loadCases(1)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) - case (DAMASK_spectral_SolverBasicPETSc_label) - call basicPETSc_init + case (DAMASK_spectral_SolverBasic_label) + call basic_init case (DAMASK_spectral_SolverPolarisation_label) if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & @@ -513,8 +513,8 @@ program DAMASK_spectral select case(loadCases(currentLoadCase)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) - case (DAMASK_spectral_SolverBasicPETSc_label) - call BasicPETSc_forward (& + case (DAMASK_spectral_SolverBasic_label) + call Basic_forward (& guess,timeinc,timeIncOld,remainingLoadCaseTime, & deformation_BC = loadCases(currentLoadCase)%deformation, & stress_BC = loadCases(currentLoadCase)%stress, & @@ -542,8 +542,8 @@ program DAMASK_spectral select case(loadCases(currentLoadCase)%ID(field)) case(FIELD_MECH_ID) select case (spectral_solver) - case (DAMASK_spectral_SolverBasicPETSc_label) - solres(field) = BasicPETSC_solution (& + case (DAMASK_spectral_SolverBasic_label) + solres(field) = Basic_solution (& incInfo,timeinc,timeIncOld, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) diff --git a/src/math.f90 b/src/math.f90 index c874e422d..39adcbba4 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -1819,6 +1819,8 @@ function math_sampleFiberOri(alpha,beta,FWHM) integer(pInt):: j,& !< index of smallest component i + allocate(a(0)) + allocate(idx(0)) 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))] @@ -2631,135 +2633,4 @@ real(pReal) pure function math_limit(a, left, right) 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 diff --git a/src/plastic_kinematichardening.f90 b/src/plastic_kinematichardening.f90 index 06a327247..7ffaf2b26 100644 --- a/src/plastic_kinematichardening.f90 +++ b/src/plastic_kinematichardening.f90 @@ -12,32 +12,32 @@ module plastic_kinehardening implicit none private 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 :: & - 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 :: & - plastic_kinehardening_output !< name of each post result output + plastic_kinehardening_output !< name of each post result output 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 :: & - 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 :: & - 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) enumerator :: undefined_ID, & - crss_ID, & !< critical resolved stress - crss_back_ID, & !< critical resolved back stress - sense_ID, & !< sense of acting shear stress (-1 or +1) - chi0_ID, & !< backstress at last switch of stress sense (positive?) - gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?) + crss_ID, & !< critical resolved stress + crss_back_ID, & !< critical resolved back stress + sense_ID, & !< sense of acting shear stress (-1 or +1) + chi0_ID, & !< backstress at last switch of stress sense (positive?) + gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?) accshear_ID, & sumGamma_ID, & shearrate_ID, & @@ -46,26 +46,26 @@ module plastic_kinehardening 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 :: & - outputID !< ID of each post result output + outputID !< ID of each post result output real(pReal) :: & - gdot0, & !< reference shear strain rate for slip (input parameter) - n_slip, & !< stress exponent for slip (input parameter) + gdot0, & !< reference shear strain rate for slip (input parameter) + n_slip, & !< stress exponent for slip (input parameter) aTolResistance, & aTolShear real(pReal), dimension(:), allocatable, private :: & - crss0, & !< initial critical shear stress for slip (input parameter, per family) - theta0, & !< initial 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 > - theta1_b, & !< asymptotic hardening rate of back stress for each slip > + crss0, & !< initial critical shear stress for slip (input parameter, per family) + theta0, & !< initial 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 > + theta1_b, & !< asymptotic hardening rate of back stress for each slip > tau1, & tau1_b, & - interaction_slipslip, & !< latent hardening matrix + interaction_slipslip, & !< latent hardening matrix nonSchmidCoeff real(pReal), dimension(:,:), allocatable, private :: & @@ -73,20 +73,20 @@ module plastic_kinehardening end type type, private :: tKinehardeningState - real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance - crss, & !< critical resolved stress - crss_back, & !< critical resolved back stress - sense, & !< sense of acting shear stress (-1 or +1) - chi0, & !< backstress at last switch of stress sense - gamma0, & !< accumulated shear at last switch of stress sense - accshear !< accumulated (absolute) shear + real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance + crss, & !< critical resolved stress + crss_back, & !< critical resolved back stress + sense, & !< sense of acting shear stress (-1 or +1) + chi0, & !< backstress at last switch of stress sense + gamma0, & !< accumulated shear at last switch of stress sense + accshear !< accumulated (absolute) shear - real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance - sumGamma !< accumulated shear across all systems + real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance + sumGamma !< accumulated shear across all systems end type type(tParameters), dimension(:), allocatable, private :: & - param !< containers of constitutive parameters (len Ninstance) + param !< containers of constitutive parameters (len Ninstance) type(tKinehardeningState), allocatable, dimension(:), private :: & dotState, & @@ -156,9 +156,10 @@ subroutine plastic_kinehardening_init(fileUnit) integer(pInt), intent(in) :: fileUnit integer(pInt), allocatable, dimension(:) :: chunkPos + integer(kind(undefined_ID)) :: & + output_ID integer(pInt) :: & o, j, k, f, & - output_ID, & phase, & instance, & maxNinstance, & @@ -178,8 +179,6 @@ subroutine plastic_kinehardening_init(fileUnit) tag = '', & line = '', & extmsg = '' - character(len=64) :: & - outputtag = '' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_KINEHARDENING_label//' init -+>>>' 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_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,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)%tau1 (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 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 - instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('(output)') - outputtag = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) output_ID = undefined_ID - select case(outputtag) + select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('resistance') output_ID = crss_ID + case ('backstress') output_ID = crss_back_ID + case ('sense') output_ID = sense_ID + case ('chi0') output_ID = chi0_ID + case ('gamma0') output_ID = gamma0_ID + case ('accumulatedshear') output_ID = accshear_ID + case ('totalshear') output_ID = sumGamma_ID + case ('shearrate') output_ID = shearrate_ID + case ('resolvedstress') output_ID = resolvedstress_ID + end select if (output_ID /= undefined_ID) then plastic_kinehardening_Noutput(instance) = plastic_kinehardening_Noutput(instance) + 1_pInt - plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = outputtag - param(instance)%outputID (plastic_kinehardening_Noutput(instance)) = output_ID + plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = & + IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + param(instance)%outputID = [param(instance)%outputID, output_ID] endif + !-------------------------------------------------------------------------------------------------- ! parameters depending on number of slip families case ('nslip') @@ -620,7 +627,6 @@ subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dTstar99, & math_transpose33 use lattice, only: & lattice_Sslip, & !< schmid matrix - lattice_Sslip_v, & lattice_maxNslipFamily, & lattice_NslipSystem, & lattice_NnonSchmid @@ -740,8 +746,6 @@ subroutine plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el) ipc, & !< component-ID of integration point ip, & !< integration point 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)))) :: & gdot_pos,gdot_neg, & tau_pos,tau_neg, & @@ -800,14 +804,10 @@ end subroutine plastic_kinehardening_deltaState !-------------------------------------------------------------------------------------------------- subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el) use lattice, only: & - lattice_Sslip_v, & - lattice_maxNslipFamily, & - lattice_NslipSystem, & - lattice_NnonSchmid + lattice_maxNslipFamily use material, only: & material_phase, & phaseAt, phasememberAt, & - plasticState, & phase_plasticityInstance implicit none @@ -820,10 +820,8 @@ subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el) integer(pInt) :: & instance,ph, & - f,i,j,k, & - index_myFamily,index_otherFamily, & + f,i,j, & nSlip, & - offset_accshear, & of 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) use material, only: & material_phase, & - plasticState, & phaseAt, phasememberAt, & phase_plasticityInstance use lattice, only: & lattice_Sslip_v, & lattice_maxNslipFamily, & - lattice_NslipSystem, & - lattice_NnonSchmid + lattice_NslipSystem implicit none real(pReal), dimension(6), intent(in) :: & @@ -897,7 +893,7 @@ function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el) integer(pInt) :: & instance,ph, of, & nSlip,& - o,f,i,c,j,k, & + o,f,i,c,j,& index_myFamily real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & diff --git a/src/spectral_mech_Basic.f90 b/src/spectral_mech_Basic.f90 index 1c949bb7b..b2b5e8173 100644 --- a/src/spectral_mech_Basic.f90 +++ b/src/spectral_mech_Basic.f90 @@ -2,7 +2,7 @@ !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, 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 #include @@ -22,7 +22,7 @@ module spectral_mech_basic private character (len=*), parameter, public :: & - DAMASK_spectral_SolverBasicPETSC_label = 'basic' + DAMASK_spectral_SolverBasic_label = 'basic' !-------------------------------------------------------------------------------------------------- ! derived types @@ -65,9 +65,9 @@ module spectral_mech_basic real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal public :: & - basicPETSc_init, & - basicPETSc_solution, & - BasicPETSc_forward + basic_init, & + basic_solution, & + basic_forward external :: & 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 !-------------------------------------------------------------------------------------------------- -subroutine basicPETSc_init +subroutine basic_init #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 use, intrinsic :: iso_fortran_env, only: & compiler_version, & @@ -124,9 +124,9 @@ subroutine basicPETSc_init external :: & SNESSetOptionsPrefix, & 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,/)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() @@ -158,9 +158,9 @@ subroutine basicPETSc_init call DMsetFromOptions(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 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) - 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) 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.) -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: & IO_error use numerics, only: & @@ -275,19 +275,19 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old, ! check convergence call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) - BasicPETSc_solution%converged = reason > 0 - basicPETSC_solution%iterationsNeeded = totalIter - basicPETSc_solution%termIll = terminallyIll + basic_solution%converged = reason > 0 + basic_solution%iterationsNeeded = totalIter + basic_solution%termIll = terminallyIll terminallyIll = .false. if (reason == -4) call IO_error(893_pInt) ! MPI error -end function BasicPETSc_solution +end function basic_solution !-------------------------------------------------------------------------------------------------- !> @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: & itmax, & itmin @@ -370,13 +370,13 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr) ! 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 -end subroutine BasicPETSc_formResidual +end subroutine Basic_formResidual !-------------------------------------------------------------------------------------------------- !> @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: & itmax, & itmin, & @@ -425,14 +425,14 @@ subroutine BasicPETSc_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,du write(6,'(/,a)') ' ===========================================================================' flush(6) -end subroutine BasicPETSc_converged +end subroutine Basic_converged !-------------------------------------------------------------------------------------------------- !> @brief forwarding routine !> @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 !-------------------------------------------------------------------------------------------------- -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: & math_mul33x33 ,& 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]) call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) -end subroutine BasicPETSc_forward +end subroutine Basic_forward end module spectral_mech_basic