Merge branch 'development' into 31_consistent_wd

.gitlab-ci.yml

@@ -7,10 +7,7 @@ stages:
   - compileSpectralGNU
   - prepareSpectral
   - spectral
-  - compileMarc2014
+  - compileMarc2017
-  - compileMarc2014.2
-  - compileMarc2015
-  - compileMarc2016
   - marc
   - compileAbaqus2016
   - compileAbaqus2017
@@ -52,33 +49,30 @@ 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:                 "$PETSc3_9_1MPICH3_2GNU7_3"
   # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
   Abaqus2016:                      "FEM/Abaqus/2016"
   Abaqus2017:                      "FEM/Abaqus/2017"
-  MSC2014:                         "FEM/MSC/2014"
+  MSC2017:                         "FEM/MSC/2017"
-  MSC2014_2:                       "FEM/MSC/2014.2"
-  MSC2015:                         "FEM/MSC/2015"
-  MSC2016:                         "FEM/MSC/2016"
   # ------------ Defaults ----------------------------------------------
   Abaqus:                          "$Abaqus2017"
-  MSC:                             "$MSC2016"
+  MSC:                             "$MSC2017"
   # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
   Doxygen1_8_13:                   "Documentation/Doxygen/1.8.13"
   # ------------ Defaults ----------------------------------------------
@@ -331,42 +325,13 @@ TextureComponents:
     - master
     - release
 
-###################################################################################################
-Marc_compileIfort2014:
-  stage: compileMarc2014
-  script:
-    - module load $IntelCompiler16_0 $MSC2014
-    - Marc_compileIfort/test.py -m 2014
-  except:
-    - master
-    - release
 
 ###################################################################################################
-Marc_compileIfort2014.2:
+Marc_compileIfort2017:
-  stage: compileMarc2014.2
+  stage: compileMarc2017
   script:
-    - module load $IntelCompiler16_0 $MSC2014_2
+    - module load $IntelCompiler17_0 $MSC2017
-    - Marc_compileIfort/test.py -m 2014.2
+    - Marc_compileIfort/test.py -m 2017
-  except:
-    - master
-    - release
-
-###################################################################################################
-Marc_compileIfort2015:
-  stage: compileMarc2015
-  script:
-    - module load $IntelCompiler16_0 $MSC2015
-    - Marc_compileIfort/test.py -m 2015
-  except:
-    - master
-    - release
-
-###################################################################################################
-Marc_compileIfort2016:
-  stage: compileMarc2016
-  script:
-    - module load $IntelCompiler16_0 $MSC2016
-    - Marc_compileIfort/test.py -m 2016
   except:
     - master
     - release
@@ -375,7 +340,7 @@ Marc_compileIfort2016:
 Hex_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_0 $MSC
+    - module load $IntelCompiler17_0 $MSC
     - Hex_elastic/test.py
   except:
     - master
@@ -384,7 +349,7 @@ Hex_elastic:
 CubicFCC_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_0 $MSC
+    - module load $IntelCompiler17_0 $MSC
     - CubicFCC_elastic/test.py
   except:
     - master
@@ -393,7 +358,7 @@ CubicFCC_elastic:
 CubicBCC_elastic:
   stage: marc
   script:
-    - module load $IntelCompiler16_0 $MSC
+    - module load $IntelCompiler17_0 $MSC
     - CubicBCC_elastic/test.py
   except:
     - master
@@ -402,7 +367,7 @@ CubicBCC_elastic:
 J2_plasticBehavior:
   stage: marc
   script:
-    - module load $IntelCompiler16_0 $MSC
+    - module load $IntelCompiler17_0 $MSC
     - J2_plasticBehavior/test.py
   except:
     - master

CONFIG

@@ -6,6 +6,6 @@ set DAMASK_BIN            = ${DAMASK_ROOT}/bin
 set DAMASK_NUM_THREADS    = 4
 
 set MSC_ROOT              = /opt/msc
-set MARC_VERSION          = 2016
+set MARC_VERSION          = 2017
 
 set ABAQUS_VERSION        = 2017

VERSION

@@ -1 +1 @@
-v2.0.2-35-g4b5401e
+v2.0.2-156-g5e5f975b

env/DAMASK.sh

@@ -2,7 +2,7 @@
 # usage:  source DAMASK.sh
 
 function canonicalPath {
-  python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
+  python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1
 }
 
 function blink {
@@ -17,12 +17,8 @@ else
   DAMASK_ROOT=${STAT##* }
 fi
 
-# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.sh to $DAMASK_ROOT/env/DAMASK.sh)
+DAMASK_ROOT=$(canonicalPath "$DAMASK_ROOT/../")
-if [ ${BASH_SOURCE##*/} == "DAMASK.sh" ]; then
-  DAMASK_ROOT="$DAMASK_ROOT/.."
-fi
 
-DAMASK_ROOT=$(canonicalPath $DAMASK_ROOT)
 
 # shorthand command to change to DAMASK_ROOT directory
 eval "function DAMASK_root() { cd $DAMASK_ROOT; }"

env/DAMASK.zsh

@@ -2,15 +2,14 @@
 # usage:  source DAMASK.zsh
 
 function canonicalPath {
-  python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
+  python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1
 }
 
-# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.zsh to $DAMASK_ROOT/env/DAMASK.zsh)
+function blink {
-if [ ${0:t:r} = 'DAMASK' ]; then
+  echo -e "\033[2;5m$1\033[0m"
-  DAMASK_ROOT=${0:a:h}'/..'
+}
-else
+
-  DAMASK_ROOT=${0:a:h}
+DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..")
-fi
 
 # shorthand command to change to DAMASK_ROOT directory
 eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
@@ -25,13 +24,13 @@ unset -f set
 # add DAMASK_BIN if present
 [ "x$DAMASK_BIN != x" ] && PATH=$DAMASK_BIN:$PATH
 
-SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
+SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
-[ "x$SOLVER == x" ] && SOLVER='Not found!'
+[ "x$SOLVER" = "x" ] && SOLVER=$(blink 'Not found!')
 
-PROCESSING=$(type -p postResults || true 2>/dev/null)
+PROCESSING=$(which postResults || true 2>/dev/null)
-[ "x$PROCESSING == x" ] && PROCESSING='Not found!'
+[ "x$PROCESSING" = "x" ] && PROCESSING=$(blink 'Not found!')
 
-[ "x$DAMASK_NUM_THREADS == x" ] && DAMASK_NUM_THREADS=1
+[ "x$DAMASK_NUM_THREADS" = "x" ] && DAMASK_NUM_THREADS=1
 
 # currently, there is no information that unlimited causes problems
 # still,  http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
@@ -52,16 +51,18 @@ if [ ! -z "$PS1" ]; then
   echo "DAMASK             $DAMASK_ROOT"
   echo "Spectral Solver    $SOLVER" 
   echo "Post Processing    $PROCESSING"
-  echo "Multithreading     DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
   if [ "x$PETSC_DIR"   != "x" ]; then
-    echo "PETSc location     $PETSC_DIR"
+    echo -n "PETSc location     "
+    [ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR
     [[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \
     || echo "               ~~> "$(canonicalPath "$PETSC_DIR")
   fi
   [[ "x$PETSC_ARCH"  == "x" ]] \
   || echo "PETSc architecture $PETSC_ARCH"
-  echo "MSC.Marc/Mentat    $MSC_ROOT"
+  echo -n "MSC.Marc/Mentat    "
+  [ -d $MSC_ROOT ] && echo $MSC_ROOT || blink $MSC_ROOT
   echo
+  echo "Multithreading     DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
   echo -n "heap  size         "
    [[ "$(ulimit -d)" == "unlimited" ]] \
    && echo "unlimited" \

examples/SpectralMethod/Polycrystal/material.config

@@ -3,7 +3,7 @@
 #-------------------#
 
 [SX]
-type	none
+mech	none
 
 #-------------------#
 <crystallite>

examples/SpectralMethod/Polycrystal/orientation.seeds

@@ -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

lib/damask/solver/marc.py

@@ -9,10 +9,8 @@ class Marc(Solver):
   def __init__(self):
     self.solver = 'Marc'
     self.releases = { \
+              '2017':  ['linux64',''],
               '2016':  ['linux64',''],
-              '2015':  ['linux64',''],
-              '2014.2':['linux64',''],
-              '2014'  :['linux64',''],
              }
 
 

src/CMakeLists.txt

@@ -15,7 +15,6 @@ add_dependencies(SYSTEM_ROUTINES C_ROUTINES)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
 
 add_library(PREC OBJECT "prec.f90")
-add_dependencies(PREC SYSTEM_ROUTINES)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
 
 if (PROJECT_NAME STREQUAL "DAMASK_spectral")
@@ -25,7 +24,7 @@ elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
 else ()
     message (FATAL_ERROR "Build target (PROJECT_NAME) is not defined")
 endif()
-add_dependencies(DAMASK_INTERFACE PREC)
+add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>)
 
 add_library(IO OBJECT "IO.f90")
@@ -40,6 +39,10 @@ add_library(DEBUG OBJECT "debug.f90")
 add_dependencies(DEBUG NUMERICS)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:DEBUG>)
 
+add_library(CONFIG OBJECT "config.f90")
+add_dependencies(CONFIG DEBUG)
+list(APPEND OBJECTFILES $<TARGET_OBJECTS:CONFIG>)
+
 add_library(FEsolving OBJECT "FEsolving.f90")
 add_dependencies(FEsolving DEBUG)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:FEsolving>)
@@ -63,7 +66,7 @@ elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
 endif()
 
 add_library(MATERIAL OBJECT "material.f90")
-add_dependencies(MATERIAL MESH)
+add_dependencies(MATERIAL MESH CONFIG)
 list(APPEND OBJECTFILES $<TARGET_OBJECTS:MATERIAL>)
 
 add_library(DAMASK_HELPERS OBJECT "lattice.f90")

src/CPFEM.f90

@@ -62,16 +62,18 @@ subroutine CPFEM_initAll(el,ip)
    numerics_init
  use debug, only: &
    debug_init
+ use config, only: &
+   config_init
  use FEsolving, only: &
    FE_init
  use math, only: &
    math_init
  use mesh, only: &
    mesh_init
- use lattice, only: &
-   lattice_init
  use material, only: &
    material_init
+ use lattice, only: &
+   lattice_init
  use constitutive, only: &
    constitutive_init
  use crystallite, only: &
@@ -93,6 +95,7 @@ subroutine CPFEM_initAll(el,ip)
      call IO_init
      call numerics_init
      call debug_init
+     call config_init
      call math_init
      call FE_init
      call mesh_init(ip, el)                                                                        ! pass on coordinates to alter calcMode of first ip
@@ -143,7 +146,8 @@ subroutine CPFEM_init
    material_phase, &
    homogState, &
    phase_plasticity, &
-   plasticState, &
+   plasticState
+ use config, only: &
    material_Nhomogenization
  use crystallite, only: &
    crystallite_F0, &
@@ -310,7 +314,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
    thermal_type, &
    THERMAL_conduction_ID, &
    phase_Nsources, &
-   material_homog, &
+   material_homog
+ use config, only: &
    material_Nhomogenization
  use crystallite, only: &
    crystallite_partionedF,&

src/CPFEM2.f90

@@ -27,16 +27,18 @@ subroutine CPFEM_initAll(el,ip)
    numerics_init
  use debug, only: &
    debug_init
+ use config, only: &
+   config_init
  use FEsolving, only: &
    FE_init
  use math, only: &
    math_init
  use mesh, only: &
    mesh_init
- use lattice, only: &
-   lattice_init
  use material, only: &
    material_init
+ use lattice, only: &
+   lattice_init
  use constitutive, only: &
    constitutive_init
  use crystallite, only: &
@@ -64,6 +66,7 @@ subroutine CPFEM_initAll(el,ip)
 #endif
  call numerics_init
  call debug_init
+ call config_init
  call math_init
  call FE_init
  call mesh_init(ip, el)                                                                        ! pass on coordinates to alter calcMode of first ip
@@ -108,7 +111,8 @@ subroutine CPFEM_init
    material_phase, &
    homogState, &
    phase_plasticity, &
-   plasticState, &
+   plasticState
+ use config, only: &
    material_Nhomogenization
  use crystallite, only: &
    crystallite_F0, &
@@ -228,7 +232,8 @@ subroutine CPFEM_age()
    hydrogenfluxState, &
    material_phase, &
    phase_plasticity, &
-   phase_Nsources, &
+   phase_Nsources
+ use config, only: &
    material_Nhomogenization
  use crystallite, only: &
    crystallite_partionedF,&

src/DAMASK_marc2014.2.f90

@@ -1 +0,0 @@
-DAMASK_marc.f90

src/DAMASK_marc2014.f90

@@ -1 +0,0 @@
-DAMASK_marc.f90

src/DAMASK_marc2015.f90

@@ -1 +0,0 @@
-DAMASK_marc.f90

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)
+         case (DAMASK_spectral_SolverBasic_label)
-           call basicPETSc_init
+           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)
+                 case (DAMASK_spectral_SolverBasic_label)
-                   call BasicPETSc_forward (&
+                   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)
+                   case (DAMASK_spectral_SolverBasic_label)
-                     solres(field) = BasicPETSC_solution (&
+                     solres(field) = Basic_solution (&
                          incInfo,timeinc,timeIncOld, &
                          stress_BC          = loadCases(currentLoadCase)%stress, &
                          rotation_BC        = loadCases(currentLoadCase)%rotation)

src/IO.f90

@@ -560,8 +560,8 @@ function IO_hybridIA(Nast,ODFfileName)
 
  IO_hybridIA = 0.0_pReal                                                                           ! initialize return value for case of error
  write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
- write(6,'(/,a)') 'Eisenlohr et al.,  Computational Materials Science, 42(4):670–678, 2008'
+ write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
- write(6,'(/,a)') 'https://doi.org/10.1016/j.commatsci.2007.09.015'
+ write(6,'(a)')   ' https://doi.org/10.1016/j.commatsci.2007.09.015'
 
 
 !--------------------------------------------------------------------------------------------------
@@ -900,10 +900,10 @@ function IO_spotTagInPart(fileUnit,part,tag,Nsections)
  do while (trim(line) /= IO_EOF)
    line = IO_read(fileUnit)
    if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
+   foundNextPart: if (IO_getTag(line,'<','>') /= '') then
      line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
      exit
-   endif
+   endif foundNextPart
    if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt                                    ! found [section] identifier
    if (section > 0_pInt) then
      chunkPos = IO_stringPos(line)
@@ -925,13 +925,10 @@ logical function IO_globalTagInPart(fileUnit,part,tag)
  character(len=*),intent(in)                :: part, &                                              !< part in which tag is searched for
                                                tag                                                  !< tag to search for
 
-
  integer(pInt), allocatable, dimension(:) :: chunkPos
- integer(pInt)                            :: section
  character(len=65536)                     :: line
 
  IO_globalTagInPart = .false.                                                                       ! assume to nowhere spot tag
- section = 0_pInt
  line =''
 
  rewind(fileUnit)
@@ -942,16 +939,20 @@ logical function IO_globalTagInPart(fileUnit,part,tag)
  do while (trim(line) /= IO_EOF)
    line = IO_read(fileUnit)
    if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
+   foundNextPart: if (IO_getTag(line,'<','>') /= '') then
      line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
      exit
-   endif
+   endif foundNextPart
-   if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt                                    ! found [section] identifier
+   foundFirstSection: if (IO_getTag(line,'[',']') /= '') then
-   if (section == 0_pInt) then
+     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
+     exit
+   endif foundFirstSection
    chunkPos = IO_stringPos(line)
-     if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) &                                ! match
+   match: if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) then
      IO_globalTagInPart = .true.
-   endif
+     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
+     exit
+   endif match
  enddo
 
 end function IO_globalTagInPart
@@ -981,6 +982,10 @@ pure function IO_stringPos(string)
    if ( string(left:left) == '#' ) exit
    IO_stringPos = [IO_stringPos,int(left, pInt), int(right, pInt)]
    IO_stringPos(1) = IO_stringPos(1)+1_pInt
+   endOfString: if (right < left) then
+     IO_stringPos(IO_stringPos(1)*2+1) = len_trim(string)
+     exit
+   endif endOfString
  enddo
 
 end function IO_stringPos
@@ -1545,6 +1550,17 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
  case (136_pInt)
    msg = 'zero entry on stiffness diagonal for transformed phase'
 
+!--------------------------------------------------------------------------------------------------
+! errors related to the parsing of material.config
+ case (140_pInt)
+   msg = 'key not found'
+ case (141_pInt)
+   msg = 'number of chunks in string differs'
+ case (142_pInt)
+   msg = 'empty list'
+ case (143_pInt)
+   msg = 'no value found for key'
+
 !--------------------------------------------------------------------------------------------------
 ! material error messages and related messages in mesh
  case (150_pInt)

src/commercialFEM_fileList.f90

@@ -6,6 +6,7 @@
 #include "IO.f90"
 #include "numerics.f90"
 #include "debug.f90"
+#include "config.f90"
 #include "math.f90"
 #include "FEsolving.f90"
 #include "mesh.f90"

src/config.f90

@@ -0,0 +1,692 @@
+!--------------------------------------------------------------------------------------------------
+!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
+!> @brief Reads in the material configuration from file
+!> @details Reads the material configuration file, where solverJobName.materialConfig takes
+!! precedence over material.config. Stores the raw strings and the positions of delimiters for the
+!! parts 'homogenization', 'crystallite', 'phase', 'texture', and 'microstucture'
+!--------------------------------------------------------------------------------------------------
+module config
+ use prec, only: &
+   pReal, &
+   pInt
+
+ implicit none
+ private 
+  type, private :: tPartitionedString
+   character(len=:),            allocatable :: val
+   integer(pInt), dimension(:), allocatable :: pos
+ end type tPartitionedString
+ 
+ type, public :: tPartitionedStringList
+   type(tPartitionedString)               :: string
+   type(tPartitionedStringList),  pointer :: next => null()
+
+   contains
+     procedure :: add            => add
+     procedure :: show           => show
+     procedure :: free           => free
+
+     procedure :: keyExists      => keyExists
+     procedure :: countKeys      => countKeys
+
+     procedure :: getFloat       => getFloat
+     procedure :: getInt         => getInt
+     procedure :: getString      => getString
+
+     procedure :: getFloats      => getFloats
+     procedure :: getInts        => getInts
+     procedure :: getStrings     => getStrings
+
+ end type tPartitionedStringList
+
+ type(tPartitionedStringList), public :: emptyList
+
+ type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: &                    ! QUESTION: rename to config_XXX?
+   config_phase, &
+   config_microstructure, &
+   config_homogenization, &
+   config_texture, &
+   config_crystallite
+ 
+ character(len=64), dimension(:), allocatable, public, protected :: &
+   phase_name, &                                                                                    !< name of each phase
+   homogenization_name, &                                                                           !< name of each homogenization
+   crystallite_name, &                                                                              !< name of each crystallite setting
+   microstructure_name, &                                                                           !< name of each microstructure
+   texture_name                                                                                     !< name of each texture
+
+! ToDo: make private, no one needs to know that
+ character(len=*), parameter, public  :: &
+   MATERIAL_partHomogenization = 'homogenization', &                                                !< keyword for homogenization part
+   MATERIAL_partCrystallite    = 'crystallite', &                                                   !< keyword for crystallite part
+   MATERIAL_partPhase          = 'phase', &                                                         !< keyword for phase part
+   MATERIAL_partMicrostructure = 'microstructure'                                                   !< keyword for microstructure part
+ character(len=*), parameter, private  :: &
+   MATERIAL_partTexture        = 'texture'                                                          !< keyword for texture part
+
+! ToDo: Remove, use size(config_phase) etc
+ integer(pInt), public, protected :: &
+   material_Nphase, &                                                                               !< number of phases
+   material_Nhomogenization, &                                                                      !< number of homogenizations
+   material_Nmicrostructure, &                                                                      !< number of microstructures
+   material_Ncrystallite                                                                            !< number of crystallite settings
+
+! ToDo: make private, no one needs to know that
+ character(len=*), parameter, public  :: &
+   MATERIAL_configFile         = 'material.config', &                                               !< generic name for material configuration file
+   MATERIAL_localFileExt       = 'materialConfig'                                                   !< extension of solver job name depending material configuration file
+
+
+ public :: &
+   config_init, &
+   config_deallocate
+
+contains
+
+!--------------------------------------------------------------------------------------------------
+!> @brief reads material.config and stores its content per part
+!--------------------------------------------------------------------------------------------------
+subroutine config_init()
+#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
+ use, intrinsic :: iso_fortran_env, only: &
+   compiler_version, &
+   compiler_options
+#endif
+ use IO, only: &
+   IO_error, &
+   IO_open_file, &
+   IO_read, &
+   IO_lc, &
+   IO_open_jobFile_stat, &
+   IO_getTag, &
+   IO_timeStamp, &
+   IO_EOF
+ use debug, only: &
+   debug_level, &
+   debug_material, &
+   debug_levelBasic
+
+ implicit none
+ integer(pInt), parameter :: FILEUNIT = 200_pInt
+ integer(pInt)            :: myDebug
+
+ character(len=65536) :: &                                                                          
+  line, &
+  part
+
+ write(6,'(/,a)') ' <<<+-  config init  -+>>>'
+ write(6,'(a15,a)')   ' Current time: ',IO_timeStamp()
+#include "compilation_info.f90"
+
+ myDebug = debug_level(debug_material)
+
+ if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) &                                  ! no local material configuration present...
+   call IO_open_file(FILEUNIT,material_configFile)                                                  ! ...open material.config file
+
+ rewind(fileUnit)
+ line        = ''                                                                                   ! to have it initialized
+ do while (trim(line) /= IO_EOF)
+   part = IO_lc(IO_getTag(line,'<','>'))
+
+   select case (trim(part))
+    
+     case (trim(material_partPhase))
+       call parseFile(line,phase_name,config_phase,FILEUNIT)
+       if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
+    
+     case (trim(material_partMicrostructure))
+       call parseFile(line,microstructure_name,config_microstructure,FILEUNIT)
+       if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
+    
+     case (trim(material_partCrystallite))
+       call parseFile(line,crystallite_name,config_crystallite,FILEUNIT)
+       if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
+    
+     case (trim(material_partHomogenization))
+       call parseFile(line,homogenization_name,config_homogenization,FILEUNIT)
+       if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
+    
+     case (trim(material_partTexture))
+       call parseFile(line,texture_name,config_texture,FILEUNIT)
+       if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
+
+     case default
+       line = IO_read(fileUnit)
+
+   end select
+
+ enddo
+
+ material_Nhomogenization = size(config_homogenization)
+ if (material_Nhomogenization < 1_pInt) call IO_error(160_pInt,ext_msg=material_partHomogenization)
+ material_Nmicrostructure = size(config_microstructure)
+ if (material_Nmicrostructure < 1_pInt) call IO_error(160_pInt,ext_msg=material_partMicrostructure)
+ material_Ncrystallite = size(config_crystallite)
+ if (material_Ncrystallite < 1_pInt) call IO_error(160_pInt,ext_msg=material_partCrystallite)
+ material_Nphase = size(config_phase)
+ if (material_Nphase < 1_pInt) call IO_error(160_pInt,ext_msg=material_partPhase)
+ if (size(config_texture) < 1_pInt) call IO_error(160_pInt,ext_msg=material_partTexture)
+
+end subroutine config_init
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief parses the material.config file
+!--------------------------------------------------------------------------------------------------
+subroutine parseFile(line,&
+                     sectionNames,part,fileUnit)
+ use IO, only: &
+   IO_read, &
+   IO_error, &
+   IO_lc, &
+   IO_getTag, &
+   IO_isBlank, &
+   IO_stringValue, &
+   IO_stringPos, &
+   IO_EOF
+
+ implicit none
+ integer(pInt),    intent(in) :: fileUnit
+ character(len=*),  dimension(:), allocatable, intent(inout)  :: sectionNames
+ type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
+ character(len=65536),intent(out) :: line
+
+ integer(pInt), allocatable, dimension(:) :: chunkPos
+ integer(pInt)        :: s
+ character(len=65536) :: devNull
+ character(len=64)    :: tag
+ logical              :: echo
+
+ echo = .false. 
+ allocate(part(0))
+
+ s = 0_pInt
+ do while (trim(line) /= IO_EOF)                                                                    ! read through sections of material part
+   line = IO_read(fileUnit)
+   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
+   foundNextPart: if (IO_getTag(line,'<','>') /= '') then
+     devNull = IO_read(fileUnit, .true.)                                                            ! reset IO_read to close any recursively included files
+     exit
+   endif foundNextPart
+   nextSection: if (IO_getTag(line,'[',']') /= '') then
+     s = s + 1_pInt
+     part = [part, emptyList]
+     tag = IO_getTag(line,'[',']')
+     GfortranBug86033: if (.not. allocated(sectionNames)) then
+       allocate(sectionNames(1),source=tag)
+     else GfortranBug86033
+       sectionNames  = [sectionNames,tag]
+     endif GfortranBug86033
+     cycle
+   endif nextSection
+   chunkPos = IO_stringPos(line)
+   tag = IO_lc(IO_stringValue(trim(line),chunkPos,1_pInt))                                          ! extract key
+   inSection: if (s > 0_pInt) then
+     call part(s)%add(IO_lc(trim(line)))
+   else inSection
+     echo = (trim(tag) == '/echo/')
+   endif inSection
+ enddo
+
+ if (echo) then
+   do s = 1, size(sectionNames)
+     call part(s)%show()
+   end do
+ end if 
+
+end subroutine parseFile
+
+subroutine config_deallocate(what)
+ use IO, only: &
+   IO_error
+
+ implicit none
+ character(len=*), intent(in) :: what
+ integer(pInt) :: i
+
+ select case(what)
+
+   case('material.config/phase')
+     do i=1, size(config_phase)
+       call config_phase(i)%free
+     enddo
+     deallocate(config_phase)
+
+   case('material.config/microstructure')
+     do i=1, size(config_microstructure)
+       call config_microstructure(i)%free
+     enddo
+     deallocate(config_microstructure)
+
+   case('material.config/crystallite')
+     do i=1, size(config_crystallite)
+       call config_crystallite(i)%free
+     enddo
+     deallocate(config_crystallite)
+
+   case('material.config/homogenization')
+     do i=1, size(config_homogenization)
+       call config_homogenization(i)%free
+     enddo
+     deallocate(config_homogenization)
+
+   case('material.config/texture')
+     do i=1, size(config_texture)
+       call config_texture(i)%free
+     enddo
+     deallocate(config_texture)
+
+   case default
+     call IO_error(0_pInt,ext_msg='config_deallocate')
+
+ end select
+
+end subroutine config_deallocate
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief add element
+!> @details Adds a string together with the start/end position of chunks in this string. The new 
+!! element is added at the end of the list. Empty strings are not added. All strings are converted
+!! to lower case
+!--------------------------------------------------------------------------------------------------
+subroutine add(this,string)
+  use IO, only: &
+    IO_isBlank, &
+    IO_lc, &
+    IO_stringPos
+
+  implicit none
+  class(tPartitionedStringList),  target, intent(in) :: this
+  character(len=*),                       intent(in) :: string
+  type(tPartitionedStringList),   pointer            :: new, item
+
+  if (IO_isBlank(string)) return
+
+  allocate(new)
+  new%string%val = IO_lc       (trim(string))
+  new%string%pos = IO_stringPos(trim(string))
+
+  item => this
+  do while (associated(item%next))
+    item => item%next
+  enddo
+  item%next => new
+
+end subroutine add
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief prints all elements
+!> @details Strings are printed in order of insertion (FIFO)
+!--------------------------------------------------------------------------------------------------
+subroutine show(this)
+
+ implicit none
+ class(tPartitionedStringList) :: this
+ type(tPartitionedStringList), pointer :: item
+
+ item => this%next
+ do while (associated(item))
+   write(6,'(a)') trim(item%string%val)
+   item => item%next
+ end do
+
+end subroutine show
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief cleans entire list
+!> @details list head is remains alive
+!--------------------------------------------------------------------------------------------------
+subroutine free(this)
+
+  implicit none
+  class(tPartitionedStringList),  target, intent(in) :: this
+  type(tPartitionedStringList),   pointer            :: new, item
+
+  if (.not. associated(this%next)) return
+
+  item => this%next
+  do while (associated(item%next))
+    new => item
+    deallocate(item)
+    item => new%next
+  enddo
+  deallocate(item)
+
+end subroutine free
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief reports wether a given key (string value at first position) exists in the list
+!--------------------------------------------------------------------------------------------------
+logical function keyExists(this,key)
+ use IO, only: &
+   IO_stringValue
+
+ implicit none
+ class(tPartitionedStringList), intent(in) :: this
+ character(len=*), intent(in)              :: key
+ type(tPartitionedStringList), pointer     :: item
+
+ keyExists = .false.
+
+ item => this%next
+ do while (associated(item) .and. .not. keyExists)
+   keyExists = trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)
+   item => item%next
+ end do
+
+end function keyExists
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief count number of key appearances
+!> @details traverses list and counts each occurrence of specified key
+!--------------------------------------------------------------------------------------------------
+integer(pInt) function countKeys(this,key)
+ use IO, only: &
+   IO_stringValue
+
+ implicit none
+
+ class(tPartitionedStringList), intent(in) :: this
+ character(len=*), intent(in)              :: key
+ type(tPartitionedStringList), pointer     :: item
+
+ countKeys = 0_pInt
+
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) &
+     countKeys = countKeys + 1_pInt
+   item => item%next
+ end do
+
+end function countKeys
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets float value of for a given key from a linked list
+!> @details gets the last value if the key occurs more than once. If key is not found exits with 
+!! error unless default is given
+!--------------------------------------------------------------------------------------------------
+real(pReal) function getFloat(this,key,defaultVal)
+ use IO, only : &
+   IO_error, &
+   IO_stringValue, &
+   IO_FloatValue
+
+ implicit none
+ class(tPartitionedStringList), intent(in)           :: this
+ character(len=*),              intent(in)           :: key
+ real(pReal),                   intent(in), optional :: defaultVal
+ type(tPartitionedStringList),  pointer              :: item
+ logical                                             :: found
+
+ found = present(defaultVal)
+ if (found) getFloat = defaultVal
+ 
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+     getFloat = IO_FloatValue(item%string%val,item%string%pos,2)
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) call IO_error(140_pInt,ext_msg=key)
+
+end function getFloat
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets integer value of for a given key from a linked list
+!> @details gets the last value if the key occurs more than once. If key is not found exits with 
+!! error unless default is given
+!--------------------------------------------------------------------------------------------------
+integer(pInt) function getInt(this,key,defaultVal)
+ use IO, only: &
+   IO_error, &
+   IO_stringValue, &
+   IO_IntValue
+
+ implicit none
+ class(tPartitionedStringList), intent(in)           :: this
+ character(len=*),              intent(in)           :: key
+ integer(pInt),                 intent(in), optional :: defaultVal
+ type(tPartitionedStringList),  pointer              :: item
+ logical                                             :: found
+
+ found = present(defaultVal)
+ if (found) getInt = defaultVal
+ 
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+     getInt = IO_IntValue(item%string%val,item%string%pos,2)
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) call IO_error(140_pInt,ext_msg=key)
+
+end function getInt
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets string value of for a given key from a linked list
+!> @details gets the last value if the key occurs more than once. If key is not found exits with 
+!! error unless default is given. If raw is true, the the complete string is returned, otherwise 
+!! the individual chunks are returned
+!--------------------------------------------------------------------------------------------------
+character(len=65536) function getString(this,key,defaultVal,raw)
+ use IO, only: &
+   IO_error, &
+   IO_stringValue
+
+ implicit none
+ class(tPartitionedStringList), intent(in)           :: this
+ character(len=*),              intent(in)           :: key
+ character(len=65536),          intent(in), optional :: defaultVal
+ logical,                       intent(in), optional :: raw
+ type(tPartitionedStringList),  pointer              :: item
+ logical                                             :: found, &
+                                                        whole
+
+ whole = merge(raw,.false.,present(raw))                                                            ! whole string or white space splitting
+ found = present(defaultVal)
+ if (found) then
+   getString = trim(defaultVal)
+   if (len_trim(getString) /= len_trim(defaultVal)) call IO_error(0_pInt,ext_msg='getString')
+ endif
+
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+
+     if (whole) then
+       getString = trim(item%string%val(item%string%pos(4):))                                       ! raw string starting a second chunk
+     else
+       getString = IO_StringValue(item%string%val,item%string%pos,2)
+     endif
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) call IO_error(140_pInt,ext_msg=key)
+
+end function getString
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets array of float values of for a given key from a linked list
+!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
+!! values from the last occurrence. If key is not found exits with error unless default is given.
+!--------------------------------------------------------------------------------------------------
+function getFloats(this,key,defaultVal,requiredShape)
+ use IO, only: &
+   IO_error, &
+   IO_stringValue, &
+   IO_FloatValue
+
+ implicit none
+ real(pReal),     dimension(:), allocatable          :: getFloats
+ class(tPartitionedStringList), intent(in)           :: this
+ character(len=*),              intent(in)           :: key
+ real(pReal),   dimension(:),   intent(in), optional :: defaultVal
+ integer(pInt), dimension(:),   intent(in), optional :: requiredShape
+ type(tPartitionedStringList),  pointer              :: item
+ integer(pInt)                                       :: i
+ logical                                             :: found, &
+                                                        cumulative
+
+ cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
+ found = .false.
+
+ allocate(getFloats(0))
+
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (.not. cumulative) getFloats = [real(pReal)::]
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+     do i = 2_pInt, item%string%pos(1)
+       getFloats = [getFloats,IO_FloatValue(item%string%val,item%string%pos,i)]
+     enddo
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) then
+   if (present(defaultVal)) then; getFloats = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
+ endif
+
+end function getFloats
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets array of integer values of for a given key from a linked list
+!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
+!! values from the last occurrence. If key is not found exits with error unless default is given.
+!--------------------------------------------------------------------------------------------------
+function getInts(this,key,defaultVal,requiredShape)
+ use IO, only: &
+   IO_error, &
+   IO_stringValue, &
+   IO_IntValue
+
+ implicit none
+ integer(pInt), dimension(:), allocatable            :: getInts
+ class(tPartitionedStringList), intent(in)           :: this
+ character(len=*),              intent(in)           :: key
+ integer(pInt), dimension(:),   intent(in), optional :: defaultVal, &
+                                                        requiredShape
+ type(tPartitionedStringList),  pointer              :: item
+ integer(pInt)                                       :: i
+ logical                                             :: found, &
+                                                        cumulative
+
+ cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
+ found = .false.
+
+ allocate(getInts(0))
+
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (.not. cumulative) getInts = [integer(pInt)::]
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+     do i = 2_pInt, item%string%pos(1)
+       getInts = [getInts,IO_IntValue(item%string%val,item%string%pos,i)]
+     enddo
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) then
+   if (present(defaultVal)) then; getInts = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
+ endif
+
+end function getInts
+
+
+!--------------------------------------------------------------------------------------------------
+!> @brief gets array of string values of for a given key from a linked list
+!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
+!! values from the last occurrence. If key is not found exits with error unless default is given.
+!! If raw is true, the the complete string is returned, otherwise the individual chunks are returned
+!--------------------------------------------------------------------------------------------------
+function getStrings(this,key,defaultVal,requiredShape,raw)
+ use IO, only: &
+   IO_error, &
+   IO_StringValue
+
+ implicit none
+ character(len=65536),dimension(:), allocatable           :: getStrings
+ class(tPartitionedStringList),      intent(in)           :: this
+ character(len=*),                   intent(in)           :: key
+ character(len=65536),dimension(:),  intent(in), optional :: defaultVal
+ integer(pInt),       dimension(:),  intent(in), optional :: requiredShape
+ logical,                            intent(in), optional :: raw
+ type(tPartitionedStringList), pointer                    :: item
+ character(len=65536)                                     :: str
+ integer(pInt)                                            :: i
+ logical                                                  :: found, &
+                                                             whole, &
+                                                             cumulative
+
+ cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
+ whole = merge(raw,.false.,present(raw))
+ found = .false.
+
+ item => this%next
+ do while (associated(item))
+   if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
+     found = .true.
+     if (allocated(getStrings) .and. .not. cumulative) deallocate(getStrings)
+     if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
+     
+     notAllocated: if (.not. allocated(getStrings)) then
+       if (whole) then
+         str = item%string%val(item%string%pos(4):)
+         getStrings = [str]
+       else
+         str = IO_StringValue(item%string%val,item%string%pos,2_pInt)
+         allocate(getStrings(1),source=str)
+         do i=3_pInt,item%string%pos(1)
+           str = IO_StringValue(item%string%val,item%string%pos,i)
+           getStrings = [getStrings,str]
+         enddo
+       endif
+     else notAllocated
+       if (whole) then
+         getStrings = [getStrings,str]
+       else
+         do i=2_pInt,item%string%pos(1)
+           str = IO_StringValue(item%string%val,item%string%pos,i)
+           getStrings = [getStrings,str]
+         enddo
+       endif
+     endif notAllocated
+   endif
+   item => item%next
+ end do
+
+ if (.not. found) then
+   if (present(defaultVal)) then; getStrings = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
+ endif
+
+end function getStrings
+
+
+end module config

src/constitutive.f90

@@ -57,14 +57,17 @@ subroutine constitutive_init()
    IO_write_jobFile, &
    IO_write_jobIntFile, &
    IO_timeStamp
+ use config, only: &
+   config_deallocate
  use mesh, only: &
    FE_geomtype
- use material, only: &
+ use config, only: &
-   material_phase, &
    material_Nphase, &
    material_localFileExt, &
-   material_configFile, &
    phase_name, &
+   material_configFile
+ use material, only: &
+   material_phase, &
    phase_plasticity, &
    phase_plasticityInstance, &
    phase_Nsources, &
@@ -143,7 +146,6 @@ subroutine constitutive_init()
    ins                                                                                              !< instance of plasticity/source
 
  integer(pInt), dimension(:,:), pointer :: thisSize
- integer(pInt), dimension(:)  , pointer :: thisNoutput
  character(len=64), dimension(:,:), pointer :: thisOutput
  character(len=32) :: outputName                                                                    !< name of output, intermediate fix until HDF5 output is ready
  logical :: knownPlasticity, knownSource, nonlocalConstitutionPresent
@@ -157,7 +159,7 @@ subroutine constitutive_init()
 !--------------------------------------------------------------------------------------------------
 ! parse plasticities from config file
  if (any(phase_plasticity == PLASTICITY_NONE_ID))          call plastic_none_init
- if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID))     call plastic_isotropic_init(FILEUNIT)
+ if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID))     call plastic_isotropic_init
  if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT)
  if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID))     call plastic_dislotwin_init(FILEUNIT)
@@ -190,6 +192,8 @@ subroutine constitutive_init()
  if (any(phase_kinematics == KINEMATICS_hydrogen_strain_ID))   call kinematics_hydrogen_strain_init(FILEUNIT)
  close(FILEUNIT)
 
+ call config_deallocate('material.config/phase')
+
  write(6,'(/,a)')   ' <<<+-  constitutive init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
 #include "compilation_info.f90"
@@ -205,37 +209,30 @@ subroutine constitutive_init()
        plasticityType: select case(phase_plasticity(p))
          case (PLASTICITY_NONE_ID) plasticityType
            outputName = PLASTICITY_NONE_label
-           thisNoutput => null()
            thisOutput => null()
            thisSize   => null()
          case (PLASTICITY_ISOTROPIC_ID) plasticityType
            outputName = PLASTICITY_ISOTROPIC_label
-           thisNoutput => plastic_isotropic_Noutput
            thisOutput => plastic_isotropic_output
            thisSize   => plastic_isotropic_sizePostResult
          case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
            outputName = PLASTICITY_PHENOPOWERLAW_label
-           thisNoutput => plastic_phenopowerlaw_Noutput
            thisOutput => plastic_phenopowerlaw_output
            thisSize   => plastic_phenopowerlaw_sizePostResult
          case (PLASTICITY_KINEHARDENING_ID) plasticityType
            outputName = PLASTICITY_KINEHARDENING_label
-           thisNoutput => plastic_kinehardening_Noutput
            thisOutput => plastic_kinehardening_output
            thisSize   => plastic_kinehardening_sizePostResult  
          case (PLASTICITY_DISLOTWIN_ID) plasticityType
            outputName = PLASTICITY_DISLOTWIN_label
-           thisNoutput => plastic_dislotwin_Noutput
            thisOutput => plastic_dislotwin_output
            thisSize   => plastic_dislotwin_sizePostResult
          case (PLASTICITY_DISLOUCLA_ID) plasticityType
            outputName = PLASTICITY_DISLOUCLA_label
-           thisNoutput => plastic_disloucla_Noutput
            thisOutput => plastic_disloucla_output
            thisSize   => plastic_disloucla_sizePostResult
          case (PLASTICITY_NONLOCAL_ID) plasticityType
            outputName = PLASTICITY_NONLOCAL_label
-           thisNoutput => plastic_nonlocal_Noutput
            thisOutput => plastic_nonlocal_output
            thisSize   => plastic_nonlocal_sizePostResult
          case default plasticityType
@@ -246,7 +243,8 @@ subroutine constitutive_init()
 
          write(FILEUNIT,'(a)') '(plasticity)'//char(9)//trim(outputName)
          if (phase_plasticity(p) /= PLASTICITY_NONE_ID) then
-           OutputPlasticityLoop: do o = 1_pInt,thisNoutput(ins)
+           OutputPlasticityLoop: do o = 1_pInt,size(thisOutput(:,ins))
+             if(len(trim(thisOutput(o,ins))) > 0_pInt) &
                write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
            enddo OutputPlasticityLoop
          endif
@@ -257,55 +255,46 @@ subroutine constitutive_init()
            case (SOURCE_thermal_dissipation_ID) sourceType
              ins = source_thermal_dissipation_instance(p)
              outputName = SOURCE_thermal_dissipation_label
-             thisNoutput => source_thermal_dissipation_Noutput
              thisOutput => source_thermal_dissipation_output
              thisSize   => source_thermal_dissipation_sizePostResult
            case (SOURCE_thermal_externalheat_ID) sourceType
              ins = source_thermal_externalheat_instance(p)
              outputName = SOURCE_thermal_externalheat_label
-             thisNoutput => source_thermal_externalheat_Noutput
              thisOutput => source_thermal_externalheat_output
              thisSize   => source_thermal_externalheat_sizePostResult
            case (SOURCE_damage_isoBrittle_ID) sourceType
              ins = source_damage_isoBrittle_instance(p)
              outputName = SOURCE_damage_isoBrittle_label
-             thisNoutput => source_damage_isoBrittle_Noutput
              thisOutput => source_damage_isoBrittle_output
              thisSize   => source_damage_isoBrittle_sizePostResult
            case (SOURCE_damage_isoDuctile_ID) sourceType
              ins = source_damage_isoDuctile_instance(p)
              outputName = SOURCE_damage_isoDuctile_label
-             thisNoutput => source_damage_isoDuctile_Noutput
              thisOutput => source_damage_isoDuctile_output
              thisSize   => source_damage_isoDuctile_sizePostResult
            case (SOURCE_damage_anisoBrittle_ID) sourceType
              ins = source_damage_anisoBrittle_instance(p)
              outputName = SOURCE_damage_anisoBrittle_label
-             thisNoutput => source_damage_anisoBrittle_Noutput
              thisOutput => source_damage_anisoBrittle_output
              thisSize   => source_damage_anisoBrittle_sizePostResult
            case (SOURCE_damage_anisoDuctile_ID) sourceType
              ins = source_damage_anisoDuctile_instance(p)
              outputName = SOURCE_damage_anisoDuctile_label
-             thisNoutput => source_damage_anisoDuctile_Noutput
              thisOutput => source_damage_anisoDuctile_output
              thisSize   => source_damage_anisoDuctile_sizePostResult
            case (SOURCE_vacancy_phenoplasticity_ID) sourceType
              ins = source_vacancy_phenoplasticity_instance(p)
              outputName = SOURCE_vacancy_phenoplasticity_label
-             thisNoutput => source_vacancy_phenoplasticity_Noutput
              thisOutput => source_vacancy_phenoplasticity_output
              thisSize   => source_vacancy_phenoplasticity_sizePostResult
            case (SOURCE_vacancy_irradiation_ID) sourceType
              ins = source_vacancy_irradiation_instance(p)
              outputName = SOURCE_vacancy_irradiation_label
-             thisNoutput => source_vacancy_irradiation_Noutput
              thisOutput => source_vacancy_irradiation_output
              thisSize   => source_vacancy_irradiation_sizePostResult
            case (SOURCE_vacancy_thermalfluc_ID) sourceType
              ins = source_vacancy_thermalfluc_instance(p)
              outputName = SOURCE_vacancy_thermalfluc_label
-             thisNoutput => source_vacancy_thermalfluc_Noutput
              thisOutput => source_vacancy_thermalfluc_output
              thisSize   => source_vacancy_thermalfluc_sizePostResult
            case default sourceType
@@ -313,7 +302,8 @@ subroutine constitutive_init()
          end select sourceType
          if (knownSource) then
            write(FILEUNIT,'(a)') '(source)'//char(9)//trim(outputName)
-           OutputSourceLoop: do o = 1_pInt,thisNoutput(ins)
+           OutputSourceLoop: do o = 1_pInt,size(thisOutput(:,ins))
+             if(len(trim(thisOutput(o,ins))) > 0_pInt) &
                write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins)
            enddo OutputSourceLoop
          endif
@@ -350,30 +340,6 @@ subroutine constitutive_init()
  enddo PhaseLoop2
 
 
-#ifdef TODO
-!--------------------------------------------------------------------------------------------------
-! report
- constitutive_maxSizeState       = maxval(constitutive_sizeState)
- constitutive_plasticity_maxSizeDotState    = maxval(constitutive_sizeDotState)
-
- if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_state0:          ', shape(constitutive_state0)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_partionedState0: ', shape(constitutive_partionedState0)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_subState0:       ', shape(constitutive_subState0)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_state:           ', shape(constitutive_state)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_aTolState:       ', shape(constitutive_aTolState)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_dotState:        ', shape(constitutive_dotState)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_deltaState:      ', shape(constitutive_deltaState)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_sizeState:       ', shape(constitutive_sizeState)
-   write(6,'(a32,1x,7(i8,1x))')   'constitutive_sizeDotState:    ', shape(constitutive_sizeDotState)
-   write(6,'(a32,1x,7(i8,1x),/)') 'constitutive_sizePostResults: ', shape(constitutive_sizePostResults)
-   write(6,'(a32,1x,7(i8,1x))')   'maxSizeState:       ', constitutive_maxSizeState
-   write(6,'(a32,1x,7(i8,1x))')   'maxSizeDotState:    ', constitutive_plasticity_maxSizeDotState
-   write(6,'(a32,1x,7(i8,1x))')   'maxSizePostResults: ', constitutive_plasticity_maxSizePostResults
- endif
- flush(6)
-#endif
-
 
 end subroutine constitutive_init
 

src/crystallite.f90

@@ -155,7 +155,6 @@ subroutine crystallite_init
    math_I3, &
    math_EulerToR, &
    math_inv33, &
-   math_transpose33, &
    math_mul33xx33, &
    math_mul33x33
  use FEsolving, only:  &
@@ -167,28 +166,22 @@ subroutine crystallite_init
    mesh_maxNips, &
    mesh_maxNipNeighbors
  use IO, only: &
-   IO_read, &
    IO_timeStamp, &
-   IO_open_jobFile_stat, &
-   IO_open_file, &
-   IO_lc, &
-   IO_getTag, &
-   IO_isBlank, &
-   IO_stringPos, &
    IO_stringValue, &
    IO_write_jobFile, &
-   IO_error, &
+   IO_error
-   IO_EOF
  use material
+ use config, only: &
+  config_crystallite, &
+  crystallite_name, &
+  config_deallocate
  use constitutive, only: &
    constitutive_initialFi, &
    constitutive_microstructure                                                                     ! derived (shortcut) quantities of given state
 
  implicit none
- integer(pInt), parameter :: &
-   FILEUNIT = 200_pInt
 
- integer(pInt), allocatable, dimension(:) :: chunkPos
+ integer(pInt), parameter :: FILEUNIT=434_pInt
  integer(pInt) :: &
    c, &                                                                                             !< counter in integration point component loop
    i, &                                                                                             !< counter in integration point loop
@@ -200,12 +193,11 @@ subroutine crystallite_init
    eMax, &                                                                                          !< maximum number of elements
    nMax, &                                                                                          !< maximum number of ip neighbors
    myNcomponents, &                                                                                 !< number of components at current IP
-   section = 0_pInt, &
    mySize
 
+ character(len=65536), dimension(:), allocatable :: str
  character(len=65536) :: &
-   tag = '', &
+   tag = ''
-   line= ''
 
  write(6,'(/,a)')   ' <<<+-  crystallite init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
@@ -270,94 +262,77 @@ subroutine crystallite_init
  allocate(crystallite_clearToCutback(iMax,eMax),             source=.true.)
  allocate(crystallite_neighborEnforcedCutback(iMax,eMax),    source=.false.)
  allocate(crystallite_output(maxval(crystallite_Noutput), &
-                             material_Ncrystallite)) ;       crystallite_output = ''
+                             size(config_crystallite))) ;       crystallite_output = ''
  allocate(crystallite_outputID(maxval(crystallite_Noutput), &
-                             material_Ncrystallite),         source=undefined_ID)
+                             size(config_crystallite)),         source=undefined_ID)
- allocate(crystallite_sizePostResults(material_Ncrystallite),source=0_pInt)
+ allocate(crystallite_sizePostResults(size(config_crystallite)),source=0_pInt)
  allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
-                                     material_Ncrystallite), source=0_pInt)
+                                     size(config_crystallite)), source=0_pInt)
 
- if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) &                                  !  no local material configuration present...
-   call IO_open_file(FILEUNIT,material_configFile)                                                  ! ...open material.config file
 
- do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite)   ! wind forward to <crystallite>
+ do c = 1_pInt, size(config_crystallite)
-   line = IO_read(FILEUNIT)
+#if defined(__GFORTRAN__)
- enddo
+   str = ['GfortranBug86277']
-
+   str = config_crystallite(c)%getStrings('(output)',defaultVal=str)
- do while (trim(line) /= IO_EOF)                                                                    ! read through sections of crystallite part
+   if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
-   line = IO_read(FILEUNIT)
+#else
-   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
+   str = config_crystallite(c)%getStrings('(output)',defaultVal=[character(len=65536)::])
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
+#endif
-     line = IO_read(FILEUNIT, .true.)                                                               ! reset IO_read
+   do o = 1_pInt, size(str)
-     exit
+     crystallite_output(o,c) = str(o)
-   endif
+     outputName: select case(str(o))
-   if (IO_getTag(line,'[',']') /= '') then                                                          ! next section
-     section = section + 1_pInt
-     o = 0_pInt                                                                                     ! reset output counter
-     cycle                                                                                          ! skip to next line
-   endif
-   if (section > 0_pInt) then
-     chunkPos = IO_stringPos(line)
-     tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt))                                              ! extract key
-     select case(tag)
-       case ('(output)')
-         o = o + 1_pInt
-         crystallite_output(o,section) = IO_lc(IO_stringValue(line,chunkPos,2_pInt))
-         outputName: select case(crystallite_output(o,section))
            case ('phase') outputName
-             crystallite_outputID(o,section) = phase_ID
+             crystallite_outputID(o,c) = phase_ID
            case ('texture') outputName
-             crystallite_outputID(o,section) = texture_ID
+             crystallite_outputID(o,c) = texture_ID
            case ('volume') outputName
-             crystallite_outputID(o,section) = volume_ID
+             crystallite_outputID(o,c) = volume_ID
            case ('grainrotationx') outputName
-             crystallite_outputID(o,section) = grainrotationx_ID
+             crystallite_outputID(o,c) = grainrotationx_ID
            case ('grainrotationy') outputName
-             crystallite_outputID(o,section) = grainrotationy_ID
+             crystallite_outputID(o,c) = grainrotationy_ID
            case ('grainrotationz') outputName
-             crystallite_outputID(o,section) = grainrotationx_ID
+             crystallite_outputID(o,c) = grainrotationx_ID
            case ('orientation') outputName
-             crystallite_outputID(o,section) = orientation_ID
+             crystallite_outputID(o,c) = orientation_ID
            case ('grainrotation') outputName
-             crystallite_outputID(o,section) = grainrotation_ID
+             crystallite_outputID(o,c) = grainrotation_ID
            case ('eulerangles') outputName
-             crystallite_outputID(o,section) = eulerangles_ID
+             crystallite_outputID(o,c) = eulerangles_ID
            case ('defgrad','f') outputName
-             crystallite_outputID(o,section) = defgrad_ID
+             crystallite_outputID(o,c) = defgrad_ID
            case ('fe') outputName
-             crystallite_outputID(o,section) = fe_ID
+             crystallite_outputID(o,c) = fe_ID
            case ('fp') outputName
-             crystallite_outputID(o,section) = fp_ID
+             crystallite_outputID(o,c) = fp_ID
            case ('fi') outputName
-             crystallite_outputID(o,section) = fi_ID
+             crystallite_outputID(o,c) = fi_ID
            case ('lp') outputName
-             crystallite_outputID(o,section) = lp_ID
+             crystallite_outputID(o,c) = lp_ID
            case ('li') outputName
-             crystallite_outputID(o,section) = li_ID
+             crystallite_outputID(o,c) = li_ID
            case ('e') outputName
-             crystallite_outputID(o,section) = e_ID
+             crystallite_outputID(o,c) = e_ID
            case ('ee') outputName
-             crystallite_outputID(o,section) = ee_ID
+             crystallite_outputID(o,c) = ee_ID
            case ('p','firstpiola','1stpiola') outputName
-             crystallite_outputID(o,section) = p_ID
+             crystallite_outputID(o,c) = p_ID
            case ('s','tstar','secondpiola','2ndpiola') outputName
-             crystallite_outputID(o,section) = s_ID
+             crystallite_outputID(o,c) = s_ID
            case ('elasmatrix') outputName
-             crystallite_outputID(o,section) = elasmatrix_ID
+             crystallite_outputID(o,c) = elasmatrix_ID
            case ('neighboringip') outputName
-             crystallite_outputID(o,section) = neighboringip_ID
+             crystallite_outputID(o,c) = neighboringip_ID
            case ('neighboringelement') outputName
-             crystallite_outputID(o,section) = neighboringelement_ID
+             crystallite_outputID(o,c) = neighboringelement_ID
            case default outputName
-             call IO_error(105_pInt,ext_msg=IO_stringValue(line,chunkPos,2_pInt)//' (Crystallite)')
+             call IO_error(105_pInt,ext_msg=tag//' (Crystallite)')
          end select outputName
-     end select
+   enddo
-   endif
  enddo
 
- close(FILEUNIT)
 
- do r = 1_pInt,material_Ncrystallite
+ do r = 1_pInt,size(config_crystallite)
    do o = 1_pInt,crystallite_Noutput(r)
      select case(crystallite_outputID(o,r))
        case(phase_ID,texture_ID,volume_ID,grainrotationx_ID,grainrotationy_ID,grainrotationz_ID)
@@ -389,7 +364,7 @@ subroutine crystallite_init
  if (worldrank == 0_pInt) then
    call IO_write_jobFile(FILEUNIT,'outputCrystallite')
 
-   do r = 1_pInt,material_Ncrystallite
+   do r = 1_pInt,size(config_crystallite)
      if (any(microstructure_crystallite(mesh_element(4,:)) == r)) then
        write(FILEUNIT,'(/,a,/)') '['//trim(crystallite_name(r))//']'
        do o = 1_pInt,crystallite_Noutput(r)
@@ -401,6 +376,8 @@ subroutine crystallite_init
    close(FILEUNIT)
  endif
 
+ call config_deallocate('material.config/crystallite')
+
 !--------------------------------------------------------------------------------------------------
 ! initialize
 !$OMP PARALLEL DO PRIVATE(myNcomponents)
@@ -537,7 +514,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
  use math, only: &
    math_inv33, &
    math_identity2nd, &
-   math_transpose33, &
    math_mul33x33, &
    math_mul66x6, &
    math_Mandel6to33, &
@@ -616,17 +592,17 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
      write(6,'(/,a,i8,1x,a,i8,a,1x,i2,1x,i3)')      '<< CRYST >> boundary values at el ip ipc ', &
        debug_e,'(',mesh_element(1,debug_e), ')',debug_i, debug_g
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F  ', &
-                                         math_transpose33(crystallite_partionedF(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedF(1:3,1:3,debug_g,debug_i,debug_e))
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> F0 ', &
-                                         math_transpose33(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedF0(1:3,1:3,debug_g,debug_i,debug_e))
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp0', &
-                                         math_transpose33(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedFp0(1:3,1:3,debug_g,debug_i,debug_e))
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fi0', &
-                                         math_transpose33(crystallite_partionedFi0(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedFi0(1:3,1:3,debug_g,debug_i,debug_e))
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp0', &
-                                         math_transpose33(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedLp0(1:3,1:3,debug_g,debug_i,debug_e))
    write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Li0', &
-                                         math_transpose33(crystallite_partionedLi0(1:3,1:3,debug_g,debug_i,debug_e))
+                                         transpose(crystallite_partionedLi0(1:3,1:3,debug_g,debug_i,debug_e))
  endif
 
 !--------------------------------------------------------------------------------------------------
@@ -1107,15 +1083,15 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
                   .or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
          write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip ipc ',e,i,c
          write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', &
-                                          math_transpose33(crystallite_P(1:3,1:3,c,i,e))*1.0e-6_pReal
+                                          transpose(crystallite_P(1:3,1:3,c,i,e))*1.0e-6_pReal
          write(6,'(a,/,3(12x,3(f14.9,1x)/))')   '<< CRYST >> Fp', &
-                                          math_transpose33(crystallite_Fp(1:3,1:3,c,i,e))
+                                          transpose(crystallite_Fp(1:3,1:3,c,i,e))
          write(6,'(a,/,3(12x,3(f14.9,1x)/))')   '<< CRYST >> Fi', &
-                                          math_transpose33(crystallite_Fi(1:3,1:3,c,i,e))
+                                          transpose(crystallite_Fi(1:3,1:3,c,i,e))
          write(6,'(a,/,3(12x,3(f14.9,1x)/),/)') '<< CRYST >> Lp', &
-                                          math_transpose33(crystallite_Lp(1:3,1:3,c,i,e))
+                                          transpose(crystallite_Lp(1:3,1:3,c,i,e))
          write(6,'(a,/,3(12x,3(f14.9,1x)/),/)') '<< CRYST >> Li', &
-                                          math_transpose33(crystallite_Li(1:3,1:3,c,i,e))
+                                          transpose(crystallite_Li(1:3,1:3,c,i,e))
          flush(6)
        endif
      enddo
@@ -1166,7 +1142,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
                                            crystallite_Fi(1:3,1:3,c,i,e),c,i,e)                    ! call constitutive law to calculate Lp tangent in lattice configuration
          dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
 
-         temp_33   = math_transpose33(math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
+         temp_33   = transpose(math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
                                                     crystallite_invFi(1:3,1:3,c,i,e)))
          rhs_3333 = 0.0_pReal
          forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
@@ -1208,12 +1184,12 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
          crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
          temp_33 = math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
                               math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
-                                            math_transpose33(crystallite_invFp(1:3,1:3,c,i,e))))
+                                            transpose(crystallite_invFp(1:3,1:3,c,i,e))))
          forall(p=1_pInt:3_pInt) &
-           crystallite_dPdF(p,1:3,p,1:3,c,i,e) = math_transpose33(temp_33)
+           crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33)
 
          temp_33 = math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
-                              math_transpose33(crystallite_invFp(1:3,1:3,c,i,e)))
+                              transpose(crystallite_invFp(1:3,1:3,c,i,e)))
          forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
            crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
              math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e),dFpinvdF(1:3,1:3,p,o)),temp_33)
@@ -1223,14 +1199,14 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
          forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
            crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
              math_mul33x33(math_mul33x33(temp_33,dSdF(1:3,1:3,p,o)), &
-                           math_transpose33(crystallite_invFp(1:3,1:3,c,i,e)))
+                           transpose(crystallite_invFp(1:3,1:3,c,i,e)))
 
          temp_33 = math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e), &
                                             crystallite_invFp(1:3,1:3,c,i,e)), &
                               math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)))
          forall(p=1_pInt:3_pInt, o=1_pInt:3_pInt) &
            crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
-             math_mul33x33(temp_33,math_transpose33(dFpinvdF(1:3,1:3,p,o)))
+             math_mul33x33(temp_33,transpose(dFpinvdF(1:3,1:3,p,o)))
 
      enddo; enddo
    enddo elementLooping6
@@ -1272,8 +1248,9 @@ subroutine crystallite_integrateStateRK4()
    plasticState, &
    sourceState, &
    phase_Nsources, &
-   material_Nphase, &
    phaseAt, phasememberAt
+ use config, only: &
+   material_Nphase
  use constitutive, only: &
    constitutive_collectDotState, &
    constitutive_microstructure
@@ -3195,7 +3172,6 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
  use math, only: &
   math_mul33x33, &
   math_inv33, &
-  math_transpose33, &
   math_EulerToR
  use material, only: &
   material_EulerAngles
@@ -3210,8 +3186,8 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
    ipc                         ! grain index
 
  T = math_mul33x33(math_EulerToR(material_EulerAngles(1:3,ipc,ip,el)), &
-                   math_transpose33(math_inv33(crystallite_subF(1:3,1:3,ipc,ip,el))))
+                   transpose(math_inv33(crystallite_subF(1:3,1:3,ipc,ip,el))))
- crystallite_push33ToRef = math_mul33x33(math_transpose33(T),math_mul33x33(tensor33,T))
+ crystallite_push33ToRef = math_mul33x33(transpose(T),math_mul33x33(tensor33,T))
 
 end function crystallite_push33ToRef
 
@@ -3260,7 +3236,6 @@ logical function crystallite_integrateStress(&
                          math_mul3333xx3333, &
                          math_mul66x6, &
                          math_mul99x99, &
-                         math_transpose33, &
                          math_inv33, &
                          math_invert, &
                          math_det33, &
@@ -3386,7 +3361,7 @@ logical function crystallite_integrateStress(&
      write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fp_current at el (elFE) ip ipc ',&
        el,'(',mesh_element(1,el),')',ip,ipc
      if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
-       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',math_transpose33(Fp_current(1:3,1:3))
+       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',transpose(Fp_current(1:3,1:3))
    endif
 #endif
    return
@@ -3402,7 +3377,7 @@ logical function crystallite_integrateStress(&
      write(6,'(a,i8,1x,a,i8,a,1x,i2,1x,i3)') '<< CRYST >> integrateStress failed on inversion of Fi_current at el (elFE) ip ipc ',&
        el,'(',mesh_element(1,el),')',ip,ipc
      if (iand(debug_level(debug_crystallite), debug_levelExtensive) > 0_pInt) &
-       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',math_transpose33(Fi_current(1:3,1:3))
+       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp_current',transpose(Fi_current(1:3,1:3))
    endif
 #endif
    return
@@ -3465,9 +3440,9 @@ logical function crystallite_integrateStress(&
          .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
                 .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
        write(6,'(a,i3,/)')                  '<< CRYST >> stress iteration ', NiterationStressLp
-       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess)
+       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lpguess', transpose(Lpguess)
-       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fi', math_transpose33(Fi_new)
+       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fi', transpose(Fi_new)
-       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fe', math_transpose33(Fe)
+       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fe', transpose(Fe)
        write(6,'(a,/,6(e20.10,1x))')         '<< CRYST >> Tstar', Tstar_v
      endif
 #endif
@@ -3488,7 +3463,7 @@ logical function crystallite_integrateStress(&
      if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
          .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
                 .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
-       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive)
+       write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lp_constitutive', transpose(Lp_constitutive)
      endif
 #endif
 
@@ -3534,7 +3509,7 @@ logical function crystallite_integrateStress(&
      if (mod(jacoCounterLp, iJacoLpresiduum) == 0_pInt) then
        dFe_dLp3333 = 0.0_pReal
        forall(o=1_pInt:3_pInt,p=1_pInt:3_pInt) &
-         dFe_dLp3333(o,1:3,p,1:3) = A(o,p)*math_transpose33(invFi_new)                                ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
+         dFe_dLp3333(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new)                                ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
        dFe_dLp3333 = - dt * dFe_dLp3333
        dRLp_dLp    =   math_identity2nd(9_pInt) &
                      - math_Plain3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dT3333,dT_dFe3333),dFe_dLp3333))
@@ -3564,10 +3539,10 @@ logical function crystallite_integrateStress(&
              write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLp',transpose(math_Plain3333to99(dFe_dLp3333))
              write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dT_dFe_constitutive',transpose(math_Plain3333to99(dT_dFe3333))
              write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLp_dT_constitutive',transpose(math_Plain3333to99(dLp_dT3333))
-             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> A',math_transpose33(A)
+             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> A',transpose(A)
-             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> B',math_transpose33(B)
+             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> B',transpose(B)
-             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive',math_transpose33(Lp_constitutive)
+             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive',transpose(Lp_constitutive)
-             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess',math_transpose33(Lpguess)
+             write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess',transpose(Lpguess)
            endif
          endif
 #endif
@@ -3597,8 +3572,8 @@ logical function crystallite_integrateStress(&
      if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
          .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
                 .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
-       write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Li_constitutive', math_transpose33(Li_constitutive)
+       write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Li_constitutive', transpose(Li_constitutive)
-       write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess', math_transpose33(Liguess)
+       write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess', transpose(Liguess)
      endif
 #endif
    !* update current residuum and check for convergence of loop
@@ -3653,8 +3628,8 @@ logical function crystallite_integrateStress(&
            write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dFe_dLi',transpose(math_Plain3333to99(dFe_dLi3333))
            write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dT_dFi_constitutive',transpose(math_Plain3333to99(dT_dFi3333))
            write(6,'(a,/,9(12x,9(e15.3,1x)/))') '<< CRYST >> dLi_dT_constitutive',transpose(math_Plain3333to99(dLi_dT3333))
-           write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Li_constitutive',math_transpose33(Li_constitutive)
+           write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Li_constitutive',transpose(Li_constitutive)
-           write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess',math_transpose33(Liguess)
+           write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Liguess',transpose(Liguess)
          endif
        endif
 #endif
@@ -3688,7 +3663,7 @@ logical function crystallite_integrateStress(&
      if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
          .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
                 .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) &
-       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> invFp_new',math_transpose33(invFp_new)
+       write(6,'(/,a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> invFp_new',transpose(invFp_new)
    endif
 #endif
    return
@@ -3699,7 +3674,7 @@ logical function crystallite_integrateStress(&
 
  crystallite_P(1:3,1:3,ipc,ip,el) = math_mul33x33(math_mul33x33(Fg_new,invFp_new), &
                                               math_mul33x33(math_Mandel6to33(Tstar_v), &
-                                                            math_transpose33(invFp_new)))
+                                                            transpose(invFp_new)))
 
  !* store local values in global variables
 
@@ -3719,13 +3694,13 @@ logical function crystallite_integrateStress(&
  if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt &
      .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
              .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
-   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> P / MPa',math_transpose33(crystallite_P(1:3,1:3,ipc,ip,el))*1.0e-6_pReal
+   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> P / MPa',transpose(crystallite_P(1:3,1:3,ipc,ip,el))*1.0e-6_pReal
    write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Cauchy / MPa', &
-              math_mul33x33(crystallite_P(1:3,1:3,ipc,ip,el), math_transpose33(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
+              math_mul33x33(crystallite_P(1:3,1:3,ipc,ip,el), transpose(Fg_new)) * 1.0e-6_pReal / math_det33(Fg_new)
    write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fe Lp Fe^-1', &
-              math_transpose33(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,ipc,ip,el), math_inv33(Fe_new))))    ! transpose to get correct print out order
+              transpose(math_mul33x33(Fe_new, math_mul33x33(crystallite_Lp(1:3,1:3,ipc,ip,el), math_inv33(Fe_new))))    ! transpose to get correct print out order
-   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp',math_transpose33(crystallite_Fp(1:3,1:3,ipc,ip,el))
+   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fp',transpose(crystallite_Fp(1:3,1:3,ipc,ip,el))
-   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fi',math_transpose33(crystallite_Fi(1:3,1:3,ipc,ip,el))
+   write(6,'(a,/,3(12x,3(f12.7,1x)/))') '<< CRYST >> Fi',transpose(crystallite_Fi(1:3,1:3,ipc,ip,el))
  endif
 #endif
 
@@ -3842,7 +3817,6 @@ function crystallite_postResults(ipc, ip, el)
    math_qToEuler, &
    math_qToEulerAxisAngle, &
    math_mul33x33, &
-   math_transpose33, &
    math_det33, &
    math_I3, &
    inDeg, &
@@ -3945,41 +3919,41 @@ function crystallite_postResults(ipc, ip, el)
      case (defgrad_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_partionedF(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_partionedF(1:3,1:3,ipc,ip,el)),[mySize])
      case (e_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = 0.5_pReal * reshape((math_mul33x33( &
-                                               math_transpose33(crystallite_partionedF(1:3,1:3,ipc,ip,el)), &
+                                               transpose(crystallite_partionedF(1:3,1:3,ipc,ip,el)), &
                                                crystallite_partionedF(1:3,1:3,ipc,ip,el)) - math_I3),[mySize])
      case (fe_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_Fe(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_Fe(1:3,1:3,ipc,ip,el)),[mySize])
      case (ee_ID)
-       Ee = 0.5_pReal *(math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,ipc,ip,el)), &
+       Ee = 0.5_pReal *(math_mul33x33(transpose(crystallite_Fe(1:3,1:3,ipc,ip,el)), &
                                                crystallite_Fe(1:3,1:3,ipc,ip,el)) - math_I3)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = reshape(Ee,[mySize])
      case (fp_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_Fp(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_Fp(1:3,1:3,ipc,ip,el)),[mySize])
      case (fi_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_Fi(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_Fi(1:3,1:3,ipc,ip,el)),[mySize])
      case (lp_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_Lp(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_Lp(1:3,1:3,ipc,ip,el)),[mySize])
      case (li_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_Li(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_Li(1:3,1:3,ipc,ip,el)),[mySize])
      case (p_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &
-         reshape(math_transpose33(crystallite_P(1:3,1:3,ipc,ip,el)),[mySize])
+         reshape(transpose(crystallite_P(1:3,1:3,ipc,ip,el)),[mySize])
      case (s_ID)
        mySize = 9_pInt
        crystallite_postResults(c+1:c+mySize) = &

src/damage_local.f90

@@ -70,7 +70,8 @@ subroutine damage_local_init(fileUnit)
    damageState, &
    damageMapping, &
    damage, &
-   damage_initialPhi, &
+   damage_initialPhi
+ use config, only: &
    material_partHomogenization
  
  implicit none

src/damage_none.f90

@@ -26,6 +26,7 @@ subroutine damage_none_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &

src/damage_nonlocal.f90

@@ -75,7 +75,8 @@ subroutine damage_nonlocal_init(fileUnit)
    damageState, &
    damageMapping, &
    damage, &
-   damage_initialPhi, &
+   damage_initialPhi
+ use config, only: &
    material_partHomogenization
 
  implicit none

src/homogenization.f90

@@ -100,6 +100,12 @@ subroutine homogenization_init
  use crystallite, only: &
    crystallite_maxSizePostResults
 #endif
+ use config, only: &
+  config_deallocate, &
+  material_configFile, &
+  material_localFileExt, &
+  config_homogenization, &
+  homogenization_name
  use material
  use homogenization_none
  use homogenization_isostrain
@@ -196,7 +202,7 @@ subroutine homogenization_init
 ! write description file for homogenization output
  mainProcess2: if (worldrank == 0) then
    call IO_write_jobFile(FILEUNIT,'outputHomogenization')
-   do p = 1,material_Nhomogenization
+   do p = 1,size(config_homogenization)
      if (any(material_homog == p)) then
        i = homogenization_typeInstance(p)                                                               ! which instance of this homogenization type
        valid = .true.                                                                                   ! assume valid
@@ -369,6 +375,8 @@ subroutine homogenization_init
    close(FILEUNIT)
  endif mainProcess2
 
+ call config_deallocate('material.config/homogenization')
+
 !--------------------------------------------------------------------------------------------------
 ! allocate and initialize global variables
  allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems),       source=0.0_pReal)
@@ -394,7 +402,7 @@ subroutine homogenization_init
  vacancyflux_maxSizePostResults    = 0_pInt
  porosity_maxSizePostResults       = 0_pInt
  hydrogenflux_maxSizePostResults   = 0_pInt
- do p = 1,material_Nhomogenization
+ do p = 1,size(config_homogenization)
    homogenization_maxSizePostResults = max(homogenization_maxSizePostResults,homogState       (p)%sizePostResults)
    thermal_maxSizePostResults        = max(thermal_maxSizePostResults,       thermalState     (p)%sizePostResults)
    damage_maxSizePostResults         = max(damage_maxSizePostResults        ,damageState      (p)%sizePostResults)
@@ -443,11 +451,9 @@ subroutine homogenization_init
  allocate(materialpoint_results(materialpoint_sizeResults,mesh_maxNips,mesh_NcpElems))
 #endif
 
- mainProcess: if (worldrank == 0) then
  write(6,'(/,a)')   ' <<<+-  homogenization init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
 #include "compilation_info.f90"
- endif mainProcess
 
  if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then
 #ifdef TODO
@@ -475,7 +481,7 @@ subroutine homogenization_init
  flush(6)
 
  if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
-   call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
+   call IO_error(602_pInt,ext_msg='constituent', el=debug_e, g=debug_g)
 
 end subroutine homogenization_init
 

src/homogenization_RGC.f90

@@ -100,6 +100,7 @@ subroutine homogenization_RGC_init(fileUnit)
    FE_geomtype
  use IO
  use material
+ use config
 
  implicit none
  integer(pInt), intent(in) :: fileUnit                                                              !< file pointer to material configuration

src/homogenization_isostrain.f90

@@ -62,6 +62,7 @@ subroutine homogenization_isostrain_init(fileUnit)
    debug_levelBasic
  use IO
  use material
+ use config
  
  implicit none
  integer(pInt),                                      intent(in) :: fileUnit

src/homogenization_none.f90

@@ -29,6 +29,7 @@ subroutine homogenization_none_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &

src/hydrogenflux_cahnhilliard.f90

@@ -81,7 +81,8 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
    hydrogenfluxMapping, &
    hydrogenConc, &
    hydrogenConcRate, &
-   hydrogenflux_initialCh, &
+   hydrogenflux_initialCh
+ use config, only: &
    material_partHomogenization, &
    material_partPhase
 

src/hydrogenflux_isoconc.f90

@@ -27,6 +27,7 @@ subroutine hydrogenflux_isoconc_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &

src/kinematics_cleavage_opening.f90

@@ -78,7 +78,8 @@ subroutine kinematics_cleavage_opening_init(fileUnit)
    phase_Nkinematics, &
    phase_Noutput, &
    KINEMATICS_cleavage_opening_label, &
-   KINEMATICS_cleavage_opening_ID, &
+   KINEMATICS_cleavage_opening_ID
+ use config, only: &
    material_Nphase, &
    MATERIAL_partPhase
  use lattice, only: &

src/kinematics_hydrogen_strain.f90

@@ -68,7 +68,8 @@ subroutine kinematics_hydrogen_strain_init(fileUnit)
    phase_Nkinematics, &
    phase_Noutput, &
    KINEMATICS_hydrogen_strain_label, &
-   KINEMATICS_hydrogen_strain_ID, &
+   KINEMATICS_hydrogen_strain_ID
+ use config, only: &
    material_Nphase, &
    MATERIAL_partPhase
 

src/kinematics_slipplane_opening.f90

@@ -78,7 +78,8 @@ subroutine kinematics_slipplane_opening_init(fileUnit)
    phase_Nkinematics, &
    phase_Noutput, &
    KINEMATICS_slipplane_opening_label, &
-   KINEMATICS_slipplane_opening_ID, &
+   KINEMATICS_slipplane_opening_ID
+ use config, only: &
    material_Nphase, &
    MATERIAL_partPhase
  use lattice, only: &

src/kinematics_thermal_expansion.f90

@@ -68,7 +68,8 @@ subroutine kinematics_thermal_expansion_init(fileUnit)
    phase_Nkinematics, &
    phase_Noutput, &
    KINEMATICS_thermal_expansion_label, &
-   KINEMATICS_thermal_expansion_ID, &
+   KINEMATICS_thermal_expansion_ID
+ use config, only: &
    material_Nphase, &
    MATERIAL_partPhase
 

src/kinematics_vacancy_strain.f90

@@ -68,7 +68,8 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
    phase_Nkinematics, &
    phase_Noutput, &
    KINEMATICS_vacancy_strain_label, &
-   KINEMATICS_vacancy_strain_ID, &
+   KINEMATICS_vacancy_strain_ID
+ use config, only: &
    material_Nphase, &
    MATERIAL_partPhase
 

src/lattice.f90

@@ -1263,7 +1263,7 @@ subroutine lattice_init
    IO_stringPos, &
    IO_stringValue, &
    IO_floatValue
- use material, only: &
+ use config, only: &
    material_configfile, &
    material_localFileExt, &
    material_partPhase

src/math.f90

@@ -223,7 +223,6 @@ end subroutine math_init
 !> @brief check correctness of (some) math functions
 !--------------------------------------------------------------------------------------------------
 subroutine math_check
-
  use prec,     only: tol_math_check
  use IO,       only: IO_error
 

src/plastic_disloUCLA.f90

@@ -152,7 +152,8 @@ subroutine plastic_disloUCLA_init(fileUnit)
    PLASTICITY_DISLOUCLA_label, &
    PLASTICITY_DISLOUCLA_ID, &
    material_phase, &
-   plasticState, & 
+   plasticState
+ use config, only: &
    MATERIAL_partPhase
  use lattice
  use numerics,only: &

src/plastic_dislotwin.f90

@@ -239,7 +239,8 @@ subroutine plastic_dislotwin_init(fileUnit)
    PLASTICITY_DISLOTWIN_label, &
    PLASTICITY_DISLOTWIN_ID, &
    material_phase, &  
-   plasticState, & 
+   plasticState
+ use config, only: &
    MATERIAL_partPhase
  use lattice
  use numerics,only: &

src/plastic_isotropic.f90

@@ -13,15 +13,10 @@ module plastic_isotropic
  
  implicit none
  private
- integer(pInt),                       dimension(:),     allocatable,         public, protected :: &
-   plastic_isotropic_sizePostResults                                                                  !< cumulative size of post results
-   
  integer(pInt),                       dimension(:,:),   allocatable, target, public :: &
    plastic_isotropic_sizePostResult                                                                   !< size of each post result output
-   
  character(len=64),                   dimension(:,:),   allocatable, target, public :: &
    plastic_isotropic_output                                                                           !< name of each post result output
- 
  integer(pInt),                       dimension(:),     allocatable, target, public :: &
    plastic_isotropic_Noutput                                                                          !< number of outputs per instance
  
@@ -40,17 +35,17 @@ module plastic_isotropic
      gdot0, &
      n, &
      h0, &
-     h0_slopeLnRate = 0.0_pReal, &
+     h0_slopeLnRate, &
      tausat, &
      a, &
-     aTolFlowstress = 1.0_pReal, &
+     aTolFlowstress, &
-     aTolShear      = 1.0e-6_pReal, &
+     aTolShear, &
-     tausat_SinhFitA= 0.0_pReal, &
+     tausat_SinhFitA, &
-     tausat_SinhFitB= 0.0_pReal, &
+     tausat_SinhFitB, &
-     tausat_SinhFitC= 0.0_pReal, &
+     tausat_SinhFitC, &
-     tausat_SinhFitD= 0.0_pReal
+     tausat_SinhFitD
   logical :: &
-     dilatation = .false.
+     dilatation
  end type
 
  type(tParameters), dimension(:), allocatable, target, private :: param                               !< containers of constitutive parameters (len Ninstance)
@@ -79,12 +74,13 @@ contains
 !> @brief module initialization
 !> @details reads in material parameters, allocates arrays, and does sanity checks
 !--------------------------------------------------------------------------------------------------
-subroutine plastic_isotropic_init(fileUnit)
+subroutine plastic_isotropic_init()
 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
  use, intrinsic :: iso_fortran_env, only: &
    compiler_version, &
    compiler_options
 #endif
+use IO
  use debug, only: &
    debug_level, &
    debug_constitutive, &
@@ -94,17 +90,6 @@ subroutine plastic_isotropic_init(fileUnit)
  use math, only: &
    math_Mandel3333to66, &
    math_Voigt66to3333
- use IO, only: &
-   IO_read, &
-   IO_lc, &
-   IO_getTag, &
-   IO_isBlank, &
-   IO_stringPos, &
-   IO_stringValue, &
-   IO_floatValue, &
-   IO_error, &
-   IO_timeStamp, &
-   IO_EOF
  use material, only: &
    phase_plasticity, &
    phase_plasticityInstance, &
@@ -112,17 +97,17 @@ subroutine plastic_isotropic_init(fileUnit)
    PLASTICITY_ISOTROPIC_label, &
    PLASTICITY_ISOTROPIC_ID, &
    material_phase, &
-   plasticState, &
+   plasticState
-   MATERIAL_partPhase
+ use config, only: &
+   MATERIAL_partPhase, &
+   config_phase
    
  use lattice  
 
  implicit none
- integer(pInt), intent(in) :: fileUnit
  
- type(tParameters), pointer :: p
+ type(tParameters), pointer :: prm
  
- integer(pInt), allocatable, dimension(:) :: chunkPos
  integer(pInt) :: &
    o, &
    phase, & 
@@ -133,174 +118,103 @@ subroutine plastic_isotropic_init(fileUnit)
    sizeState, &
    sizeDeltaState
  character(len=65536) :: &
-   tag       = '', &
-   line      = '', &
    extmsg    = ''
- character(len=64) :: &
+ integer(pInt) :: NipcMyPhase,i
-   outputtag = ''
+ character(len=65536), dimension(:), allocatable :: outputs
- integer(pInt) :: NipcMyPhase
 
  write(6,'(/,a)')   ' <<<+-  constitutive_'//PLASTICITY_ISOTROPIC_label//' init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
 #include "compilation_info.f90"
  
  maxNinstance = int(count(phase_plasticity == PLASTICITY_ISOTROPIC_ID),pInt)
- if (maxNinstance == 0_pInt) return
-
  if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
    write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
 
- allocate(plastic_isotropic_sizePostResults(maxNinstance),                      source=0_pInt)
+! public variables
  allocate(plastic_isotropic_sizePostResult(maxval(phase_Noutput), maxNinstance),source=0_pInt)
  allocate(plastic_isotropic_output(maxval(phase_Noutput), maxNinstance))
           plastic_isotropic_output = ''
  allocate(plastic_isotropic_Noutput(maxNinstance),                              source=0_pInt)
 
+! inernal variable 
  allocate(param(maxNinstance))                                                                      ! one container of parameters per instance
-
- rewind(fileUnit)
- phase = 0_pInt
- do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase)         ! wind forward to <phase>
-   line = IO_read(fileUnit)
- enddo
- 
- parsingFile: do while (trim(line) /= IO_EOF)                                                       ! read through sections of phase part
-   line = IO_read(fileUnit)
-   if (IO_isBlank(line)) cycle                                                                      ! skip empty lines
-   if (IO_getTag(line,'<','>') /= '') then                                                          ! stop at next part
-     line = IO_read(fileUnit, .true.)                                                               ! reset IO_read
-     exit                                                                                           
-   endif
-   if (IO_getTag(line,'[',']') /= '') then                                                          ! next section
-     phase = phase + 1_pInt                                                                         ! advance section counter
-     cycle                                                                                          ! skip to next line
-   endif
-   if (phase > 0_pInt) then; if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_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
-     p => param(instance)                                                                           ! shorthand pointer to parameter object of my constitutive law
-     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))
-         select case(outputtag)
-           case ('flowstress')
-             plastic_isotropic_Noutput(instance) = plastic_isotropic_Noutput(instance) + 1_pInt
-             plastic_isotropic_output(plastic_isotropic_Noutput(instance),instance) = outputtag
-             p%outputID = [p%outputID,flowstress_ID]
-           case ('strainrate')
-             plastic_isotropic_Noutput(instance) = plastic_isotropic_Noutput(instance) + 1_pInt
-             plastic_isotropic_output(plastic_isotropic_Noutput(instance),instance) = outputtag
-             p%outputID = [p%outputID,strainrate_ID]
-         end select
-
-       case ('/dilatation/')
-         p%dilatation      = .true.
-
-       case ('tau0')
-         p%tau0            = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('gdot0')
-         p%gdot0           = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('n')
-         p%n               = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('h0')
-         p%h0              = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('h0_slope','slopelnrate')
-         p%h0_slopeLnRate  = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('tausat')
-         p%tausat          = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('tausat_sinhfita')
-         p%tausat_SinhFitA = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('tausat_sinhfitb')
-         p%tausat_SinhFitB = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('tausat_sinhfitc')
-         p%tausat_SinhFitC = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('tausat_sinhfitd')
-         p%tausat_SinhFitD = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('a', 'w0')
-         p%a               = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('taylorfactor')
-         p%fTaylor         = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('atol_flowstress')
-         p%aTolFlowstress  = IO_floatValue(line,chunkPos,2_pInt)
-
-       case ('atol_shear')
-         p%aTolShear       = IO_floatValue(line,chunkPos,2_pInt)
-
-       case default
-
-     end select
-   endif; endif
- enddo parsingFile
-
  allocate(state(maxNinstance))                                                                      ! internal state aliases
  allocate(dotState(maxNinstance))
 
- initializeInstances: do phase = 1_pInt, size(phase_plasticity)                                     ! loop over every plasticity
+ do phase = 1_pInt, size(phase_plasticityInstance)
-   myPhase: if (phase_plasticity(phase) == PLASTICITY_isotropic_ID) then                            ! isolate instances of own constitutive description
+   if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then
-     NipcMyPhase = count(material_phase == phase)                                                   ! number of own material points (including point components ipc)
      instance = phase_plasticityInstance(phase)
-     p => param(instance)
+     prm => param(instance)                                                                         ! shorthand pointer to parameter object of my constitutive law
-     extmsg = ''
+     prm%tau0            =  config_phase(phase)%getFloat('tau0')
+     prm%tausat          =  config_phase(phase)%getFloat('tausat')
+     prm%gdot0           =  config_phase(phase)%getFloat('gdot0')
+     prm%n               =  config_phase(phase)%getFloat('n')
+     prm%h0              =  config_phase(phase)%getFloat('h0')
+     prm%fTaylor         =  config_phase(phase)%getFloat('m')
+     prm%h0_slopeLnRate  =  config_phase(phase)%getFloat('h0_slopelnrate', defaultVal=0.0_pReal)
+     prm%tausat_SinhFitA =  config_phase(phase)%getFloat('tausat_sinhfita',defaultVal=0.0_pReal)
+     prm%tausat_SinhFitB =  config_phase(phase)%getFloat('tausat_sinhfitb',defaultVal=0.0_pReal)
+     prm%tausat_SinhFitC =  config_phase(phase)%getFloat('tausat_sinhfitc',defaultVal=0.0_pReal)
+     prm%tausat_SinhFitD =  config_phase(phase)%getFloat('tausat_sinhfitd',defaultVal=0.0_pReal)
+     prm%a               =  config_phase(phase)%getFloat('a')
+     prm%aTolFlowStress  =  config_phase(phase)%getFloat('atol_flowstress',defaultVal=1.0_pReal)
+     prm%aTolShear       =  config_phase(phase)%getFloat('atol_shear',defaultVal=1.0e-6_pReal)
+    
+     prm%dilatation      = config_phase(phase)%keyExists('/dilatation/')
+
+#if defined(__GFORTRAN__)
+     outputs = ['GfortranBug86277']
+     outputs = config_phase(phase)%getStrings('(output)',defaultVal=outputs)
+     if (outputs(1) == 'GfortranBug86277') outputs = [character(len=65536)::]
+#else
+     outputs = config_phase(phase)%getStrings('(output)',defaultVal=[character(len=65536)::])
+#endif
+     allocate(prm%outputID(0))
+     do i=1_pInt, size(outputs)
+       select case(outputs(i))
+         case ('flowstress')
+           plastic_isotropic_Noutput(instance) = plastic_isotropic_Noutput(instance) + 1_pInt
+           plastic_isotropic_output(plastic_isotropic_Noutput(instance),instance) = outputs(i)
+           plasticState(phase)%sizePostResults =  plasticState(phase)%sizePostResults + 1_pInt
+           plastic_isotropic_sizePostResult(i,instance) = 1_pInt
+           prm%outputID = [prm%outputID,flowstress_ID]
+         case ('strainrate')
+           plastic_isotropic_Noutput(instance) = plastic_isotropic_Noutput(instance) + 1_pInt
+           plastic_isotropic_output(plastic_isotropic_Noutput(instance),instance) = outputs(i)
+           plasticState(phase)%sizePostResults = &
+             plasticState(phase)%sizePostResults + 1_pInt
+           plastic_isotropic_sizePostResult(i,instance) = 1_pInt
+           prm%outputID = [prm%outputID,strainrate_ID]
+       end select
+     enddo
+
 !--------------------------------------------------------------------------------------------------
 !  sanity checks
-     if (p%aTolShear        <= 0.0_pReal) p%aTolShear = 1.0e-6_pReal    ! default absolute tolerance 1e-6
+     extmsg = ''
-     if (p%tau0              < 0.0_pReal) extmsg = trim(extmsg)//' tau0'
+     if (prm%aTolShear        <= 0.0_pReal) extmsg = trim(extmsg)//"'aTolShear' "
-     if (p%gdot0            <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0'
+     if (prm%tau0              < 0.0_pReal) extmsg = trim(extmsg)//"'tau0' "
-     if (p%n                <= 0.0_pReal) extmsg = trim(extmsg)//' n'
+     if (prm%gdot0            <= 0.0_pReal) extmsg = trim(extmsg)//"'gdot0' "
-     if (p%tausat           <= 0.0_pReal) extmsg = trim(extmsg)//' tausat'
+     if (prm%n                <= 0.0_pReal) extmsg = trim(extmsg)//"'n' "
-     if (p%a                <= 0.0_pReal) extmsg = trim(extmsg)//' a' 
+     if (prm%tausat           <= prm%tau0)    extmsg = trim(extmsg)//"'tausat' "
-     if (p%fTaylor          <= 0.0_pReal) extmsg = trim(extmsg)//' taylorfactor'
+     if (prm%a                <= 0.0_pReal) extmsg = trim(extmsg)//"'a' " 
-     if (p%aTolFlowstress   <= 0.0_pReal) extmsg = trim(extmsg)//' atol_flowstress'
+     if (prm%fTaylor          <= 0.0_pReal) extmsg = trim(extmsg)//"'m' "
-     if (extmsg /= '') then 
+     if (prm%aTolFlowstress   <= 0.0_pReal) extmsg = trim(extmsg)//"'atol_flowstress' "
-       extmsg = trim(extmsg)//' ('//PLASTICITY_ISOTROPIC_label//')'                                 ! prepare error message identifier
+     if (extmsg /= '') call IO_error(211_pInt,ip=instance,&
-       call IO_error(211_pInt,ip=instance,ext_msg=extmsg)
+                            ext_msg=trim(extmsg)//'('//PLASTICITY_ISOTROPIC_label//')')
-     endif
-!--------------------------------------------------------------------------------------------------
-!  Determine size of postResults array
-     outputsLoop: do o = 1_pInt,plastic_isotropic_Noutput(instance)
-       select case(p%outputID(o))
-         case(flowstress_ID,strainrate_ID)
-           mySize = 1_pInt
-         case default
-       end select
-  
-       outputFound: if (mySize > 0_pInt) then
-         plastic_isotropic_sizePostResult(o,instance) = mySize
-         plastic_isotropic_sizePostResults(instance) = &
-         plastic_isotropic_sizePostResults(instance) + mySize
-       endif outputFound
-     enddo outputsLoop
 
 !--------------------------------------------------------------------------------------------------
 ! allocate state arrays
+     NipcMyPhase = count(material_phase == phase)                                                   ! number of own material points (including point components ipc)
+
      sizeDotState   = size(["flowstress       ","accumulated_shear"])
      sizeDeltaState = 0_pInt                                                                         ! no sudden jumps in state
      sizeState      = sizeDotState + sizeDeltaState
      plasticState(phase)%sizeState = sizeState
      plasticState(phase)%sizeDotState = sizeDotState
      plasticState(phase)%sizeDeltaState = sizeDeltaState
-     plasticState(phase)%sizePostResults = plastic_isotropic_sizePostResults(instance)
      plasticState(phase)%nSlip = 1
-     plasticState(phase)%nTwin = 0
-     plasticState(phase)%nTrans= 0
      allocate(plasticState(phase)%aTolState          (   sizeState))
-
      allocate(plasticState(phase)%state0             (   sizeState,NipcMyPhase),source=0.0_pReal)
-
      allocate(plasticState(phase)%partionedState0    (   sizeState,NipcMyPhase),source=0.0_pReal)
      allocate(plasticState(phase)%subState0          (   sizeState,NipcMyPhase),source=0.0_pReal)
      allocate(plasticState(phase)%state              (   sizeState,NipcMyPhase),source=0.0_pReal)
@@ -320,22 +234,23 @@ subroutine plastic_isotropic_init(fileUnit)
 
      state(instance)%flowstress             => plasticState(phase)%state    (1,1:NipcMyPhase)
      dotState(instance)%flowstress          => plasticState(phase)%dotState (1,1:NipcMyPhase)
-     plasticState(phase)%state0(1,1:NipcMyPhase) = p%tau0
+     plasticState(phase)%state0(1,1:NipcMyPhase) = prm%tau0
-     plasticState(phase)%aTolState(1)       =  p%aTolFlowstress
+     plasticState(phase)%aTolState(1)       =  prm%aTolFlowstress
 
      state(instance)%accumulatedShear       => plasticState(phase)%state    (2,1:NipcMyPhase)
      dotState(instance)%accumulatedShear    => plasticState(phase)%dotState (2,1:NipcMyPhase)
      plasticState(phase)%state0 (2,1:NipcMyPhase) = 0.0_pReal
-     plasticState(phase)%aTolState(2)       =  p%aTolShear
+     plasticState(phase)%aTolState(2)       =  prm%aTolShear
      ! global alias
      plasticState(phase)%slipRate           => plasticState(phase)%dotState(2:2,1:NipcMyPhase)
      plasticState(phase)%accumulatedSlip    => plasticState(phase)%state   (2:2,1:NipcMyPhase)
 
-   endif myPhase
+endif
- enddo initializeInstances
+ enddo
 
 end subroutine plastic_isotropic_init
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates plastic velocity gradient and its tangent
 !--------------------------------------------------------------------------------------------------
@@ -354,8 +269,7 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
    math_Mandel6to33, &
    math_Plain3333to99, &
    math_deviatoric33, &
-   math_mul33xx33, &
+   math_mul33xx33
-   math_transpose33
  use material, only: &
    phasememberAt, &
    material_phase, &
@@ -374,7 +288,7 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
    ip, &                                                                                            !< integration point
    el                                                                                               !< element
 
- type(tParameters), pointer :: p
+ type(tParameters), pointer :: prm
  
  real(pReal), dimension(3,3) :: &
    Tstar_dev_33                                                                                     !< deviatoric part of the 2nd Piola Kirchhoff stress tensor as 2nd order tensor
@@ -390,7 +304,7 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
 
  of = phasememberAt(ipc,ip,el)                                                                      ! phasememberAt should be tackled by material and be renamed to material_phasemember
  instance = phase_plasticityInstance(material_phase(ipc,ip,el))
- p => param(instance)
+ prm => param(instance)
  
  Tstar_dev_33 = math_deviatoric33(math_Mandel6to33(Tstar_v))                                        ! deviatoric part of 2nd Piola-Kirchhoff stress
  squarenorm_Tstar_dev = math_mul33xx33(Tstar_dev_33,Tstar_dev_33)
@@ -400,31 +314,31 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,ipc,ip,el)
    Lp = 0.0_pReal
    dLp_dTstar99 = 0.0_pReal
  else
-   gamma_dot = p%gdot0 &
+   gamma_dot = prm%gdot0 &
-             * ( sqrt(1.5_pReal) * norm_Tstar_dev / p%fTaylor / state(instance)%flowstress(of) ) &
+             * ( sqrt(1.5_pReal) * norm_Tstar_dev / prm%fTaylor / state(instance)%flowstress(of) ) &
-             **p%n
+             **prm%n
 
-   Lp = Tstar_dev_33/norm_Tstar_dev * gamma_dot/p%fTaylor 
+   Lp = Tstar_dev_33/norm_Tstar_dev * gamma_dot/prm%fTaylor 
 
    if (iand(debug_level(debug_constitutive), debug_levelExtensive) /= 0_pInt &
        .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) &
               .or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then
      write(6,'(a,i8,1x,i2,1x,i3)') '<< CONST isotropic >> at el ip g ',el,ip,ipc
      write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CONST isotropic >> Tstar (dev) / MPa', &
-                                      math_transpose33(Tstar_dev_33(1:3,1:3))*1.0e-6_pReal
+                                      transpose(Tstar_dev_33(1:3,1:3))*1.0e-6_pReal
      write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> norm Tstar / MPa', norm_Tstar_dev*1.0e-6_pReal
      write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> gdot', gamma_dot
    end if
 !--------------------------------------------------------------------------------------------------
 ! Calculation of the tangent of Lp
    forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
-     dLp_dTstar_3333(k,l,m,n) = (p%n-1.0_pReal) * &
+     dLp_dTstar_3333(k,l,m,n) = (prm%n-1.0_pReal) * &
                                       Tstar_dev_33(k,l)*Tstar_dev_33(m,n) / squarenorm_Tstar_dev
    forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt) &
      dLp_dTstar_3333(k,l,k,l) = dLp_dTstar_3333(k,l,k,l) + 1.0_pReal
    forall (k=1_pInt:3_pInt,m=1_pInt:3_pInt) &
      dLp_dTstar_3333(k,k,m,m) = dLp_dTstar_3333(k,k,m,m) - 1.0_pReal/3.0_pReal
-   dLp_dTstar99 = math_Plain3333to99(gamma_dot / p%fTaylor * &
+   dLp_dTstar99 = math_Plain3333to99(gamma_dot / prm%fTaylor * &
                                       dLp_dTstar_3333 / norm_Tstar_dev)
  end if
 end subroutine plastic_isotropic_LpAndItsTangent
@@ -456,7 +370,7 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar_3333,Tstar_v,ipc,ip,e
    ip, &                                                                                            !< integration point
    el                                                                                               !< element
 
- type(tParameters), pointer :: p
+ type(tParameters), pointer :: prm
  
  real(pReal), dimension(3,3) :: &
    Tstar_sph_33                                                                                     !< sphiatoric part of the 2nd Piola Kirchhoff stress tensor as 2nd order tensor
@@ -470,28 +384,28 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar_3333,Tstar_v,ipc,ip,e
 
  of = phasememberAt(ipc,ip,el)                                                                      ! phasememberAt should be tackled by material and be renamed to material_phasemember
  instance = phase_plasticityInstance(material_phase(ipc,ip,el))
- p => param(instance)
+ prm => param(instance)
  
  Tstar_sph_33 = math_spherical33(math_Mandel6to33(Tstar_v))                                         ! spherical part of 2nd Piola-Kirchhoff stress
  squarenorm_Tstar_sph = math_mul33xx33(Tstar_sph_33,Tstar_sph_33)
  norm_Tstar_sph = sqrt(squarenorm_Tstar_sph) 
 
- if (p%dilatation .and. norm_Tstar_sph > 0.0_pReal) then                              ! Tstar == 0 or J2 plascitiy --> both Li and dLi_dTstar are zero
+ if (prm%dilatation .and. norm_Tstar_sph > 0.0_pReal) then                              ! Tstar == 0 or J2 plascitiy --> both Li and dLi_dTstar are zero
-   gamma_dot = p%gdot0 &
+   gamma_dot = prm%gdot0 &
-               * (sqrt(1.5_pReal) * norm_Tstar_sph / p%fTaylor / state(instance)%flowstress(of) ) &
+               * (sqrt(1.5_pReal) * norm_Tstar_sph / prm%fTaylor / state(instance)%flowstress(of) ) &
-               **p%n
+               **prm%n
 
-   Li = Tstar_sph_33/norm_Tstar_sph * gamma_dot/p%fTaylor
+   Li = Tstar_sph_33/norm_Tstar_sph * gamma_dot/prm%fTaylor
 
    !--------------------------------------------------------------------------------------------------
    ! Calculation of the tangent of Li
    forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
-     dLi_dTstar_3333(k,l,m,n) = (p%n-1.0_pReal) * &
+     dLi_dTstar_3333(k,l,m,n) = (prm%n-1.0_pReal) * &
                                       Tstar_sph_33(k,l)*Tstar_sph_33(m,n) / squarenorm_Tstar_sph
    forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt) &
      dLi_dTstar_3333(k,l,k,l) = dLi_dTstar_3333(k,l,k,l) + 1.0_pReal
 
-   dLi_dTstar_3333 = gamma_dot / p%fTaylor * &
+   dLi_dTstar_3333 = gamma_dot / prm%fTaylor * &
                                       dLi_dTstar_3333 / norm_Tstar_sph
  else
   Li = 0.0_pReal
@@ -520,7 +434,7 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
    ipc, &                                                                                           !< component-ID of integration point
    ip, &                                                                                            !< integration point
    el                                                                                               !< element
- type(tParameters), pointer :: p
+ type(tParameters), pointer :: prm
  real(pReal), dimension(6) :: &
    Tstar_dev_v                                                                                      !< deviatoric 2nd Piola Kirchhoff stress tensor in Mandel notation
  real(pReal) :: &
@@ -534,11 +448,11 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
 
  of = phasememberAt(ipc,ip,el)                                                                      ! phasememberAt should be tackled by material and be renamed to material_phasemember
  instance = phase_plasticityInstance(material_phase(ipc,ip,el))
- p => param(instance)
+ prm => param(instance)
  
 !--------------------------------------------------------------------------------------------------
 ! norm of (deviatoric) 2nd Piola-Kirchhoff stress
- if (p%dilatation) then
+ if (prm%dilatation) then
    norm_Tstar_v = sqrt(math_mul6x6(Tstar_v,Tstar_v))
  else
    Tstar_dev_v(1:3) = Tstar_v(1:3) - sum(Tstar_v(1:3))/3.0_pReal
@@ -547,26 +461,26 @@ subroutine plastic_isotropic_dotState(Tstar_v,ipc,ip,el)
  end if
 !--------------------------------------------------------------------------------------------------
 ! strain rate 
- gamma_dot = p%gdot0 * ( sqrt(1.5_pReal) * norm_Tstar_v & 
+ gamma_dot = prm%gdot0 * ( sqrt(1.5_pReal) * norm_Tstar_v & 
             / &!-----------------------------------------------------------------------------------
-           (p%fTaylor*state(instance)%flowstress(of) ))**p%n
+           (prm%fTaylor*state(instance)%flowstress(of) ))**prm%n
  
 !--------------------------------------------------------------------------------------------------
 ! hardening coefficient
  if (abs(gamma_dot) > 1e-12_pReal) then
-   if (dEq0(p%tausat_SinhFitA)) then
+   if (dEq0(prm%tausat_SinhFitA)) then
-     saturation = p%tausat
+     saturation = prm%tausat
    else
-     saturation = p%tausat &
+     saturation = prm%tausat &
-                + asinh( (gamma_dot / p%tausat_SinhFitA&
+                + asinh( (gamma_dot / prm%tausat_SinhFitA&
-                         )**(1.0_pReal / p%tausat_SinhFitD)&
+                         )**(1.0_pReal / prm%tausat_SinhFitD)&
-                       )**(1.0_pReal / p%tausat_SinhFitC) &
+                       )**(1.0_pReal / prm%tausat_SinhFitC) &
-                   / ( p%tausat_SinhFitB &
+                   / ( prm%tausat_SinhFitB &
-                       * (gamma_dot / p%gdot0)**(1.0_pReal / p%n) &
+                       * (gamma_dot / prm%gdot0)**(1.0_pReal / prm%n) &
                      )
    endif
-   hardening = ( p%h0 + p%h0_slopeLnRate * log(gamma_dot) ) &
+   hardening = ( prm%h0 + prm%h0_slopeLnRate * log(gamma_dot) ) &
-               * abs( 1.0_pReal - state(instance)%flowstress(of)/saturation )**p%a &
+               * abs( 1.0_pReal - state(instance)%flowstress(of)/saturation )**prm%a &
                * sign(1.0_pReal, 1.0_pReal - state(instance)%flowstress(of)/saturation)
  else
    hardening = 0.0_pReal
@@ -584,6 +498,7 @@ function plastic_isotropic_postResults(Tstar_v,ipc,ip,el)
  use math, only: &
    math_mul6x6
  use material, only: &
+   plasticState, &
    material_phase, &
    phasememberAt, &
    phase_plasticityInstance
@@ -596,9 +511,9 @@ function plastic_isotropic_postResults(Tstar_v,ipc,ip,el)
    ip, &                                                                                            !< integration point
    el                                                                                               !< element
 
- type(tParameters), pointer :: p
+ type(tParameters), pointer :: prm
  
- real(pReal), dimension(plastic_isotropic_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
+ real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: &
                                            plastic_isotropic_postResults
 
  real(pReal), dimension(6) :: &
@@ -613,11 +528,11 @@ function plastic_isotropic_postResults(Tstar_v,ipc,ip,el)
 
  of = phasememberAt(ipc,ip,el)                                                                      ! phasememberAt should be tackled by material and be renamed to material_phasemember
  instance = phase_plasticityInstance(material_phase(ipc,ip,el))
- p => param(instance)
+ prm => param(instance)
  
 !--------------------------------------------------------------------------------------------------
 ! norm of (deviatoric) 2nd Piola-Kirchhoff stress
- if (p%dilatation) then
+ if (prm%dilatation) then
    norm_Tstar_v = sqrt(math_mul6x6(Tstar_v,Tstar_v))
  else
    Tstar_dev_v(1:3) = Tstar_v(1:3) - sum(Tstar_v(1:3))/3.0_pReal
@@ -629,15 +544,15 @@ function plastic_isotropic_postResults(Tstar_v,ipc,ip,el)
  plastic_isotropic_postResults = 0.0_pReal
 
  outputsLoop: do o = 1_pInt,plastic_isotropic_Noutput(instance)
-   select case(p%outputID(o))
+   select case(prm%outputID(o))
      case (flowstress_ID)
        plastic_isotropic_postResults(c+1_pInt) = state(instance)%flowstress(of)
        c = c + 1_pInt
      case (strainrate_ID)
        plastic_isotropic_postResults(c+1_pInt) = &
-                p%gdot0 * (            sqrt(1.5_pReal) * norm_Tstar_v & 
+                prm%gdot0 * (            sqrt(1.5_pReal) * norm_Tstar_v & 
              / &!----------------------------------------------------------------------------------
-              (p%fTaylor * state(instance)%flowstress(of)) ) ** p%n
+              (prm%fTaylor * state(instance)%flowstress(of)) ) ** prm%n
        c = c + 1_pInt
    end select
  enddo outputsLoop

src/plastic_kinematichardening.f90

@@ -1,6 +1,7 @@
 !--------------------------------------------------------------------------------------------------
 !> @author Philip Eisenlohr, Michigan State University
 !> @author Zhuowen Zhao, Michigan State University
+!> @author   Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Introducing Voce-type kinematic hardening rule into crystal plasticity  
 !! formulation using a power law fitting
 !--------------------------------------------------------------------------------------------------
@@ -145,7 +146,8 @@ subroutine plastic_kinehardening_init(fileUnit)
    phase_plasticityInstance, &
    phase_Noutput, &
    material_phase, &
-   plasticState, &
+   plasticState
+ use config, only: &
    MATERIAL_partPhase
  use lattice
  use numerics,only: &
@@ -230,6 +232,7 @@ subroutine plastic_kinehardening_init(fileUnit)
        allocate(param(instance)%nonSchmidCoeff(Nchunks_nonSchmid),      source=0.0_pReal)
        if(allocated(tempPerSlip)) deallocate(tempPerSlip)
        allocate(tempPerSlip(Nchunks_SlipFamilies))
+       allocate(param(instance)%outputID(0))
      endif
      cycle                                                                                          ! skip to next line
    endif
@@ -367,11 +370,11 @@ subroutine plastic_kinehardening_init(fileUnit)
 !--------------------------------------------------------------------------------------------------
 !  sanity checks
  
-     if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
+     if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt &
-             .and. param(instance)%crss0(1:nSlipFamilies)           < 0.0_pReal)) extmsg = trim(extmsg)//' crss0'
+             .and. param(instance)%crss0 (1:nSlipFamilies)          < 0.0_pReal)) extmsg = trim(extmsg)//' crss0'
-     if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
+     if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt &
-             .and. param(instance)%tau1(1:nSlipFamilies)          <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1'
+             .and. param(instance)%tau1  (1:nSlipFamilies)         <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1'
-     if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt &
+     if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt &
              .and. param(instance)%tau1_b(1:nSlipFamilies)         < 0.0_pReal)) extmsg = trim(extmsg)//' tau1_b'
      if (param(instance)%gdot0            <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0'
      if (param(instance)%n_slip           <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'

src/plastic_nonlocal.f90

@@ -291,8 +291,8 @@ use material, only: phase_plasticity, &
                     PLASTICITY_NONLOCAL_label, &
                     PLASTICITY_NONLOCAL_ID, &
                     plasticState, &
-                    MATERIAL_partPhase ,&
                     material_phase
+use config, only:  MATERIAL_partPhase
 use lattice
 use numerics,only: &
    numerics_integrator

src/plastic_phenopowerlaw.f90

@@ -157,7 +157,8 @@ subroutine plastic_phenopowerlaw_init(fileUnit)
    PLASTICITY_PHENOPOWERLAW_label, &
    PLASTICITY_PHENOPOWERLAW_ID, &
    material_phase, &
-   plasticState, &
+   plasticState
+ use config, only: &
    MATERIAL_partPhase
  use lattice
  use numerics,only: &

src/porosity_none.f90

@@ -27,6 +27,7 @@ subroutine porosity_none_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &

src/porosity_phasefield.f90

@@ -77,11 +77,10 @@ subroutine porosity_phasefield_init(fileUnit)
    porosityState, &
    porosityMapping, &
    porosity, &
-   porosity_initialPhi, &
+   porosity_initialPhi
+ use config, only: &
    material_partHomogenization, &
    material_partPhase
- use numerics,only: &
-   worldrank
 
  implicit none
  integer(pInt), intent(in) :: fileUnit
@@ -94,11 +93,9 @@ subroutine porosity_phasefield_init(fileUnit)
    tag  = '', &
    line = ''
 
- mainProcess: if (worldrank == 0) then 
  write(6,'(/,a)')   ' <<<+-  porosity_'//POROSITY_phasefield_label//' init  -+>>>'
  write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
 #include "compilation_info.f90"
- endif mainProcess
  
  maxNinstance = int(count(porosity_type == POROSITY_phasefield_ID),pInt)
  if (maxNinstance == 0_pInt) return

src/source_damage_anisoBrittle.f90

@@ -91,9 +91,10 @@ subroutine source_damage_anisoBrittle_init(fileUnit)
    phase_Noutput, &
    SOURCE_damage_anisoBrittle_label, &
    SOURCE_damage_anisoBrittle_ID, &
-   material_Nphase, &
    material_phase, &
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_damage_anisoDuctile.f90

@@ -95,9 +95,10 @@ subroutine source_damage_anisoDuctile_init(fileUnit)
    phase_Noutput, &
    SOURCE_damage_anisoDuctile_label, &
    SOURCE_damage_anisoDuctile_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_damage_isoBrittle.f90

@@ -81,9 +81,10 @@ subroutine source_damage_isoBrittle_init(fileUnit)
    phase_Noutput, &
    SOURCE_damage_isoBrittle_label, &
    SOURCE_damage_isoBrittle_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_damage_isoDuctile.f90

@@ -81,10 +81,12 @@ subroutine source_damage_isoDuctile_init(fileUnit)
    phase_Noutput, &
    SOURCE_damage_isoDuctile_label, &
    SOURCE_damage_isoDuctile_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
+ 
  use numerics,only: &
    numerics_integrator
 

src/source_thermal_dissipation.f90

@@ -67,9 +67,10 @@ subroutine source_thermal_dissipation_init(fileUnit)
    phase_Noutput, &
    SOURCE_thermal_dissipation_label, &
    SOURCE_thermal_dissipation_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_thermal_externalheat.f90

@@ -73,9 +73,10 @@ subroutine source_thermal_externalheat_init(fileUnit)
    phase_Noutput, &
    SOURCE_thermal_externalheat_label, &
    SOURCE_thermal_externalheat_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_vacancy_irradiation.f90

@@ -69,9 +69,10 @@ subroutine source_vacancy_irradiation_init(fileUnit)
    phase_Noutput, &
    SOURCE_vacancy_irradiation_label, &
    SOURCE_vacancy_irradiation_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_vacancy_phenoplasticity.f90

@@ -67,9 +67,10 @@ subroutine source_vacancy_phenoplasticity_init(fileUnit)
    phase_Noutput, &
    SOURCE_vacancy_phenoplasticity_label, &
    SOURCE_vacancy_phenoplasticity_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

src/source_vacancy_thermalfluc.f90

@@ -71,9 +71,10 @@ subroutine source_vacancy_thermalfluc_init(fileUnit)
    phase_Noutput, &
    SOURCE_vacancy_thermalfluc_label, &
    SOURCE_vacancy_thermalfluc_ID, &
-   material_Nphase, &
    material_phase, &  
-   sourceState, &
+   sourceState
+ use config, only: &
+   material_Nphase, &
    MATERIAL_partPhase
  use numerics,only: &
    numerics_integrator

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 <petsc/finclude/petscsnes.h>
@@ -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, &
+   basic_init, &
-   basicPETSc_solution, &
+   basic_solution, &
-   BasicPETSc_forward
+   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
+ basic_solution%converged = reason > 0
- basicPETSC_solution%iterationsNeeded = totalIter
+ basic_solution%iterationsNeeded = totalIter
- basicPETSc_solution%termIll = terminallyIll
+ 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

src/thermal_adiabatic.f90

@@ -64,6 +64,8 @@ subroutine thermal_adiabatic_init(fileUnit)
    IO_error, &
    IO_timeStamp, &
    IO_EOF
+ use config, only: &
+   material_partHomogenization
  use material, only: &
    thermal_type, &
    thermal_typeInstance, &
@@ -76,8 +78,7 @@ subroutine thermal_adiabatic_init(fileUnit)
    thermalMapping, &
    thermal_initialT, &
    temperature, &
-   temperatureRate, &
+   temperatureRate
-   material_partHomogenization
 
  implicit none
  integer(pInt), intent(in) :: fileUnit

src/thermal_conduction.f90

@@ -77,7 +77,8 @@ subroutine thermal_conduction_init(fileUnit)
    thermalMapping, &
    thermal_initialT, &
    temperature, &
-   temperatureRate, &
+   temperatureRate
+ use config, only: &
    material_partHomogenization
 
  implicit none

src/thermal_isothermal.f90

@@ -27,6 +27,7 @@ subroutine thermal_isothermal_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &

src/vacancyflux_cahnhilliard.f90

@@ -91,9 +91,10 @@ subroutine vacancyflux_cahnhilliard_init(fileUnit)
    vacancyfluxMapping, &
    vacancyConc, &
    vacancyConcRate, &
-   vacancyflux_initialCv, &
+   vacancyflux_initialCv
-   material_partHomogenization, &
+ use config, only: &
-   material_partPhase
+   material_partPhase, &
+   material_partHomogenization
 
  implicit none
  integer(pInt), intent(in) :: fileUnit

src/vacancyflux_isochempot.f90

@@ -74,7 +74,8 @@ subroutine vacancyflux_isochempot_init(fileUnit)
    vacancyfluxMapping, &
    vacancyConc, &
    vacancyConcRate, &
-   vacancyflux_initialCv, &
+   vacancyflux_initialCv
+ use config, only: &
    material_partHomogenization
 
  implicit none

src/vacancyflux_isoconc.f90

@@ -27,6 +27,7 @@ subroutine vacancyflux_isoconc_init()
  use IO, only: &
    IO_timeStamp
  use material
+ use config
  
  implicit none
  integer(pInt) :: &