Merge branch 'development' into PRIVATEasSubmodule

2017-04-13 16:17:17 +02:00 · 2017-04-13 16:17:17 +02:00 · f8ae4b8f20
parent 1953f8d581 e5eea4caec
commit f8ae4b8f20
26 changed files with 560 additions and 99 deletions
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@ -0,0 +1,489 @@
+stages:
+  - prepareAll
+  - preprocessing
+  - postprocessing
+  - compileSpectralIntel
+  - compileSpectralGNU
+  - prepareSpectral
+  - spectral
+  - compileMarc2014
+  - compileMarc2014.2
+  - compileMarc2015
+  - compileMarc2016
+  - marc
+  - compileAbaqus2016
+  - compileAbaqus2017
+  - example
+  - updateMaster
+  - createDocumentation
+  - clean
+
+###################################################################################################
+before_script:
+  - source $DAMASKROOT/DAMASK_env.sh
+  - module purge
+  - cd $DAMASKROOT/PRIVATE/testing
+
+###################################################################################################
+variables:
+  #================================================================================================
+  # GitLab Settings
+  #================================================================================================
+  GIT_SUBMODULE_STRATEGY: none
+
+  #================================================================================================
+  # Shortcut names
+  #================================================================================================
+  DAMASKROOT:                      "$HOME/GitlabCI_Pipeline_$CI_PIPELINE_ID/DAMASK"
+
+  #================================================================================================
+  # Names of module files to load
+  #================================================================================================
+  # ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
+  IntelCompiler16_0:               "Compiler/Intel/16.0 Libraries/IMKL/2016"
+  IntelCompiler17_0:               "Compiler/Intel/17.0 Libraries/IMKL/2017"
+  GNUCompiler5_3:                  "Compiler/GNU/5.3"
+  # ------------ Defaults ----------------------------------------------
+  IntelCompiler:                   "$IntelCompiler17_0"
+  GNUCompiler:                     "$GNUCompiler5_3"
+  # ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
+  MPICH3_2Intel17_0:               "MPI/Intel/17.0/MPICH/3.2"
+  MPICH3_2GNU5_3:                  "MPI/GNU/5.3/MPICH/3.2"
+  # ------------ Defaults ----------------------------------------------
+  MPICH_GNU:                       "$MPICH3_2GNU5_3"
+  MPICH_Intel:                     "$MPICH3_2Intel17_0"
+  # ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
+  PETSc3_6_4MPICH3_2Intel17_0:     "Libraries/PETSc/3.6.4/Intel-17.0-MPICH-3.2"
+  PETSc3_7_5MPICH3_2Intel17_0:     "Libraries/PETSc/3.7.5/Intel-17.0-MPICH-3.2"
+  PETSc3_7_5MPICH3_2GNU5_3:        "Libraries/PETSc/3.7.5/GNU-5.3-MPICH-3.2"
+  # ------------ Defaults ----------------------------------------------
+  PETSc_MPICH_Intel:               "$PETSc3_7_5MPICH3_2Intel17_0"
+  PETSc_MPICH_GNU:                 "$PETSc3_7_5MPICH3_2GNU5_3"
+  # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
+  Abaqus2016:                      "FEM/Abaqus/2016"
+  Abaqus2017:                      "FEM/Abaqus/2017"
+  MSC2014:                         "FEM/MSC/2014"
+  MSC2014_2:                       "FEM/MSC/2014.2"
+  MSC2015:                         "FEM/MSC/2015"
+  MSC2016:                         "FEM/MSC/2016"
+  # ------------ Defaults ----------------------------------------------
+  Abaqus:                          "$Abaqus2017"
+  MSC:                             "$MSC2016"
+  # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
+  Doxygen1_8_13:                   "Documentation/Doxygen/1.8.13"
+  # ------------ Defaults ----------------------------------------------
+  Doxygen:                         "$Doxygen1_8_13"
+
+
+###################################################################################################
+checkout: 
+  stage: prepareAll
+  before_script: 
+    - $HOME/wait.sh
+    - echo $CI_PIPELINE_ID > $HOME/GitLabCI.lock
+  script:
+    - mkdir -p $DAMASKROOT
+    - git clone -q git@magit1.mpie.de:damask/DAMASK.git $DAMASKROOT
+    - cd $DAMASKROOT
+    - git checkout $CI_COMMIT_SHA
+    - git clone -q git@magit1.mpie.de:damask/PRIVATE.git
+    - source $DAMASKROOT/DAMASK_env.sh
+    - make install
+  except:
+    - master
+    - release
+
+###################################################################################################
+OrientationRelationship:
+  stage: preprocessing
+  script: OrientationRelationship/test.py
+  except:
+    - master
+    - release
+
+Pre_SeedGeneration:
+  stage: preprocessing
+  script: PreProcessing_SeedGeneration/test.py
+  except:
+    - master
+    - release
+
+Pre_GeomGeneration:
+  stage: preprocessing
+  script: PreProcessing_GeomGeneration/test.py
+  except:
+    - master
+    - release
+
+Pre_GeomModification:
+  stage: preprocessing
+  script: PreProcessing_GeomModification/test.py
+  except:
+    - master
+    - release
+
+Pre_General:
+  stage: preprocessing
+  script: PreProcessing/test.py
+  except:
+    - master
+    - release
+
+Spectral_geometryPacking:
+  stage: preprocessing
+  script: Spectral_geometryPacking/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Post_General:
+  stage: postprocessing
+  script: PostProcessing/test.py
+  except:
+    - master
+    - release
+
+Post_GeometryReconstruction:
+  stage: postprocessing
+  script: Spectral_geometryReconstruction/test.py
+  except:
+    - master
+    - release
+
+Post_addCurl:
+  stage: postprocessing
+  script: addCurl/test.py
+  except:
+    - master
+    - release
+
+Post_addDivergence:
+  stage: postprocessing
+  script: addDivergence/test.py
+  except:
+    - master
+    - release
+
+Post_addGradient:
+  stage: postprocessing
+  script: addGradient/test.py
+  except:
+    - master
+    - release
+
+Post_ParaviewRelated:
+  stage: postprocessing
+  script: ParaviewRelated/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Compile_Intel:
+  stage: compileSpectralIntel 
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
+    - SpectralAll_compileIfort/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Compile_GNU:
+  stage: compileSpectralGNU
+  script:
+    - module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
+    - SpectralAll_compileGfortran/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Compile_Intel_Prepare:
+  stage: prepareSpectral
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
+    - make -C $DAMASKROOT clean spectral install tidy
+  except:
+    - master
+    - release
+ 
+###################################################################################################
+Spectral_PackedGeometry:
+  stage: spectral
+  script: Spectral_PackedGeometry/test.py
+  except:
+    - master
+    - release
+
+Spectral_parsingArguments:
+  stage: spectral
+  script: Spectral_parsingArguments/test.py
+  except:
+    - master
+    - release
+
+StateIntegration_compareVariants:
+  stage: spectral
+  script: StateIntegration_compareVariants/test.py
+  except:
+    - master
+    - release
+
+nonlocal_densityConservation:
+  stage: spectral
+  script: nonlocal_densityConservation/test.py
+  except:
+    - master
+    - release
+
+Spectral_ipNeighborhood:
+  stage: spectral
+  script: Spectral_ipNeighborhood/test.py
+  except:
+    - master
+    - release
+
+Nonlocal_Damage_DetectChanges:
+  stage: spectral
+  script: Nonlocal_Damage_DetectChanges/test.py
+  except:
+    - master
+    - release
+
+SpectralAll_restart:
+  stage: spectral
+  script: SpectralAll_restart/test.py
+  except:
+    - master
+    - release
+
+SpectralAll_parsingLoadCase:
+  stage: spectral
+  script: SpectralAll_parsingLoadCase/test.py
+  except:
+    - master
+    - release
+
+SpectralBasic_loadCaseRotation:
+  stage: spectral
+  script: SpectralBasic_loadCaseRotation/test.py
+  except:
+    - master
+    - release
+
+Spectral_MPI:
+  stage: spectral
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
+    - Spectral_MPI/test.py
+  except:
+    - master
+    - release
+
+Plasticity_DetectChanges:
+  stage: spectral
+  script: Plasticity_DetectChanges/test.py
+  except:
+    - master
+    - release
+
+Homogenization:
+  stage: spectral
+  script: Homogenization/test.py
+  except:
+    - master
+    - release
+
+Phenopowerlaw_singleSlip:
+  stage: spectral
+  script: Phenopowerlaw_singleSlip/test.py
+  except:
+    - master
+    - release
+
+HybridIA:
+  stage: spectral
+  script: HybridIA/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Marc_compileIfort2014:
+  stage: compileMarc2014
+  script:
+    - module load $IntelCompiler16_0 $MSC2014
+    - Marc_compileIfort/test.py -m 2014
+  except:
+    - master
+    - release
+
+###################################################################################################
+Marc_compileIfort2014.2:
+  stage: compileMarc2014.2
+  script:
+    - module load $IntelCompiler16_0 $MSC2014_2
+    - Marc_compileIfort/test.py -m 2014.2
+  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
+
+###################################################################################################
+Hex_elastic:
+  stage: marc
+  script:
+    - module load $IntelCompiler16_0 $MSC
+    - Hex_elastic/test.py
+  except:
+    - master
+    - release
+
+CubicFCC_elastic:
+  stage: marc
+  script:
+    - module load $IntelCompiler16_0 $MSC
+    - CubicFCC_elastic/test.py
+  except:
+    - master
+    - release
+
+CubicBCC_elastic:
+  stage: marc
+  script:
+    - module load $IntelCompiler16_0 $MSC
+    - CubicBCC_elastic/test.py
+  except:
+    - master
+    - release
+
+J2_plasticBehavior:
+  stage: marc
+  script:
+    - module load $IntelCompiler16_0 $MSC
+    - J2_plasticBehavior/test.py
+  except:
+    - master
+    - release
+
+###################################################################################################
+Abaqus_compile2016:
+  stage: compileAbaqus2016
+  script:
+    - module load $IntelCompiler16_0 $Abaqus2016
+    - Abaqus_compileIfort/test.py -a 2016
+  except:
+    - master
+    - release
+
+###################################################################################################
+Abaqus_compile2017:
+  stage: compileAbaqus2017
+  script:
+    - module load $IntelCompiler16_0 $Abaqus2017
+    - Abaqus_compileIfort/test.py -a 2017
+  except:
+    - master
+    - release
+
+###################################################################################################
+SpectralExample:
+  stage: example
+  script: SpectralAll_example/test.py
+  only:
+    - development
+
+AbaqusExample:
+  stage: example
+  script:
+    - module load $IntelCompiler16_0 $Abaqus
+    - Abaqus_example/test.py
+  only:
+    - development
+
+##################################################################################################
+mergeIntoMaster: 
+  stage: updateMaster
+  script:
+    - cd $DAMASKROOT
+    - export TESTEDREV=$(git describe)                                                              # might be detached from development branch
+    - echo $TESTEDREV > VERSION
+    - git commit VERSION -m "[skip ci] updated version information after successful test of $TESTEDREV"
+    - export UPDATEDREV=$(git describe)                                                             # tested state + 1 commit
+    - git checkout master
+    - git merge $UPDATEDREV
+    - git push origin master                                                                        # master is now tested version and has updated VERSION file
+    - git checkout development
+    - git merge master -s ours                                                                      # only possible conflict is in VERSION file
+    - git push origin development                                                                   # development is unchanged (as master is based on it) but has updated VERSION file
+  only:
+    - development
+
+###################################################################################################
+AbaqusExp: 
+  stage: createDocumentation
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
+    - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_exp
+  except:
+    - master
+    - release
+
+AbaqusStd: 
+  stage: createDocumentation
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
+    - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_std
+  except:
+    - master
+    - release
+
+Marc: 
+  stage: createDocumentation
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
+    - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT marc
+  except:
+    - master
+    - release
+
+Spectral: 
+  stage: createDocumentation
+  script:
+    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
+    - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT spectral
+  except:
+    - master
+    - release
+
+###################################################################################################
+removeLock: 
+  stage: clean
+  before_script: 
+    - echo 'Do nothing'
+  when: always
+  script: rm $HOME/GitLabCI.lock
+  except:
+    - master
+    - release
--- a/DAMASK_env.sh
+++ b/DAMASK_env.sh
@ -25,11 +25,11 @@ if [[ "x$DAMASK_BIN" != "x" && ! $(echo ":$PATH:" | grep $DAMASK_BIN:) ]]; then
  export PATH=$DAMASK_BIN:$PATH
 fi

-SOLVER=$(which DAMASK_spectral 2>/dev/null)
+SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
 if [ "x$SOLVER" == "x" ]; then
  SOLVER='Not found!'
 fi
-PROCESSING=$(which postResults 2>/dev/null)
+PROCESSING=$(which postResults || true 2>/dev/null)
 if [ "x$PROCESSING" == "x" ]; then
  PROCESSING='Not found!'
 fi
--- a/DAMASK_env.zsh
+++ b/DAMASK_env.zsh
@ -19,8 +19,8 @@ if [[ ( "x$DAMASK_BIN" != "x" ) && ( "x$MATCH" = "x" ) ]]; then
  export PATH=$DAMASK_BIN:$PATH
 fi

-SOLVER=`which DAMASK_spectral 2>/dev/null`
-PROCESSING=`which postResults 2>/dev/null`
+SOLVER=`which DAMASK_spectral || True 2>/dev/null`
+PROCESSING=`which postResults || True 2>/dev/null`
 if [ "x$DAMASK_NUM_THREADS" = "x" ]; then
  DAMASK_NUM_THREADS=1
 fi
--- a/2
+++ b/2
@ -1,4 +1,4 @@
-Copyright 2011-16 Max-Planck-Institut für Eisenforschung GmbH
+Copyright 2011-17 Max-Planck-Institut für Eisenforschung GmbH

 This program is free software: you can redistribute it and/or modify
 it under the terms of the GNU General Public License as published by
--- a/2
+++ b/2
@ -1 +1 @@
-v2.0.1-393-gf010aa9
+v2.0.1-414-g81d0752
--- a/code/math.f90
+++ b/code/math.f90
@ -1181,6 +1181,9 @@ end function math_Voigt66to3333

 !--------------------------------------------------------------------------------------------------
 !> @brief random quaternion
+! http://math.stackexchange.com/questions/131336/uniform-random-quaternion-in-a-restricted-angle-range
+! K. Shoemake. Uniform random rotations. In D. Kirk, editor, Graphics Gems III, pages 124-132. 
+! Academic, New York, 1992.
 !--------------------------------------------------------------------------------------------------
 function math_qRand()

--- a/code/numerics.f90
+++ b/code/numerics.f90
@ -694,9 +694,9 @@ subroutine numerics_init
                   .not. memory_efficient) call IO_error(error_ID = 847_pInt)
 if (err_stress_tolrel <= 0.0_pReal)       call IO_error(301_pInt,ext_msg='err_stress_tolRel')
 if (err_stress_tolabs <= 0.0_pReal)       call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
- if (err_div_tolRel <= 0.0_pReal)          call IO_error(301_pInt,ext_msg='err_div_tolRel')
+ if (err_div_tolRel < 0.0_pReal)           call IO_error(301_pInt,ext_msg='err_div_tolRel')
 if (err_div_tolAbs <= 0.0_pReal)          call IO_error(301_pInt,ext_msg='err_div_tolAbs')
- if (err_curl_tolRel <= 0.0_pReal)         call IO_error(301_pInt,ext_msg='err_curl_tolRel')
+ if (err_curl_tolRel < 0.0_pReal)          call IO_error(301_pInt,ext_msg='err_curl_tolRel')
 if (err_curl_tolAbs <= 0.0_pReal)         call IO_error(301_pInt,ext_msg='err_curl_tolAbs')
 if (polarAlpha <= 0.0_pReal .or. &
     polarAlpha >  2.0_pReal)              call IO_error(301_pInt,ext_msg='polarAlpha')
--- a/code/spectral_interface.f90
+++ b/code/spectral_interface.f90
@ -20,7 +20,6 @@ module DAMASK_interface
   geometryFile = '', &                                                                             !< parameter given for geometry file
   loadCaseFile = ''                                                                                !< parameter given for load case file
 character(len=1024), private           :: workingDirectory                                         !< accessed by getSolverWorkingDirectoryName for compatibility reasons
- character,           private,parameter :: pathSep = '/'

 public :: &
   getSolverWorkingDirectoryName, &
@ -96,7 +95,11 @@ subroutine DAMASK_interface_init()
     call quit(1_pInt)
   endif
   if (error_unit /= 0) then
-     write(output_unit,'(a)') ' STERR != 0'
+     write(output_unit,'(a)') ' STDERR != 0'
+     call quit(1_pInt)
+   endif
+   if (PETSC_VERSION_MAJOR /= 3 .or. PETSC_VERSION_MINOR /= 7) then
+     write(6,'(a,2(i1.1,a))') 'PETSc ',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.x not supported'
     call quit(1_pInt)
   endif
 else mainProcess
@ -168,7 +171,7 @@ subroutine DAMASK_interface_init()
       write(6,'(a)')  ' Help:'
       write(6,'(/,a)')'   --help'
       write(6,'(a,/)')'        Prints this message and exits'
-       call quit(0_pInt)                                                                        ! normal Termination
+       call quit(0_pInt)                                                                            ! normal Termination
     case ('-l', '--load', '--loadcase')
       loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
     case ('-g', '--geom', '--geometry')
@ -194,7 +197,6 @@ subroutine DAMASK_interface_init()
 error = getHostName(hostName)
 write(6,'(a,a)')      ' Host name:             ', trim(hostName)
 write(6,'(a,a)')      ' User name:             ', trim(userName)
- write(6,'(a,a)')      ' Path separator:        ', pathSep
 write(6,'(a,a)')      ' Command line call:     ', trim(commandLine)
 if (len(trim(workingDirArg))>0) &
   write(6,'(a,a)')    ' Working dir argument:  ', trim(workingDirArg)
@ -229,22 +231,22 @@ character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryA
 external                      :: quit

 wdGiven: if (len(workingDirectoryArg)>0) then
-   absolutePath: if (workingDirectoryArg(1:1) == pathSep) then
+   absolutePath: if (workingDirectoryArg(1:1) == '/') then
     storeWorkingDirectory = workingDirectoryArg
   else absolutePath
     error = getCWD(cwd)
     if (error) call quit(1_pInt)
-     storeWorkingDirectory = trim(cwd)//pathSep//workingDirectoryArg
+     storeWorkingDirectory = trim(cwd)//'/'//workingDirectoryArg
   endif absolutePath
-   if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= pathSep) &
-     storeWorkingDirectory = trim(storeWorkingDirectory)//pathSep                                   ! if path seperator is not given, append it
+   if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= '/') &
+     storeWorkingDirectory = trim(storeWorkingDirectory)//'/'                                       ! if path seperator is not given, append it
 else wdGiven
-   if (geometryArg(1:1) == pathSep) then                                                            ! absolute path given as command line argument
-     storeWorkingDirectory = geometryArg(1:scan(geometryArg,pathSep,back=.true.))
+   if (geometryArg(1:1) == '/') then                                                                ! absolute path given as command line argument
+     storeWorkingDirectory = geometryArg(1:scan(geometryArg,'/',back=.true.))
   else
     error = getCWD(cwd)                                                                            ! relative path given as command line argument
     if (error) call quit(1_pInt)
-     storeWorkingDirectory = trim(cwd)//pathSep//geometryArg(1:scan(geometryArg,pathSep,back=.true.))
+     storeWorkingDirectory = trim(cwd)//'/'//geometryArg(1:scan(geometryArg,'/',back=.true.))
   endif
 endif wdGiven

@ -281,13 +283,13 @@ character(len=1024) function getSolverJobName()

 tempString = geometryFile
 posExt = scan(tempString,'.',back=.true.)
- posSep = scan(tempString,pathSep,back=.true.)
+ posSep = scan(tempString,'/',back=.true.)

 getSolverJobName = tempString(posSep+1:posExt-1)

 tempString = loadCaseFile
 posExt = scan(tempString,'.',back=.true.)
- posSep = scan(tempString,pathSep,back=.true.)
+ posSep = scan(tempString,'/',back=.true.)

 getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)

@ -312,13 +314,13 @@ character(len=1024) function getGeometryFile(geometryParameter)

 getGeometryFile = geometryParameter
 posExt = scan(getGeometryFile,'.',back=.true.)
- posSep = scan(getGeometryFile,pathSep,back=.true.)
+ posSep = scan(getGeometryFile,'/',back=.true.)

 if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom')                           ! no extension present
- if (scan(getGeometryFile,pathSep) /= 1) then                                                       ! relative path given as command line argument
+ if (scan(getGeometryFile,'/') /= 1) then                                                           ! relative path given as command line argument
   error = getcwd(cwd)
   if (error) call quit(1_pInt)
-   getGeometryFile = rectifyPath(trim(cwd)//pathSep//getGeometryFile)
+   getGeometryFile = rectifyPath(trim(cwd)//'/'//getGeometryFile)
 else
   getGeometryFile = rectifyPath(getGeometryFile)
 endif
@ -346,13 +348,13 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)

 getLoadCaseFile = loadcaseParameter
 posExt = scan(getLoadCaseFile,'.',back=.true.)
- posSep = scan(getLoadCaseFile,pathSep,back=.true.)
+ posSep = scan(getLoadCaseFile,'/',back=.true.)

 if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load')                           ! no extension present
- if (scan(getLoadCaseFile,pathSep) /= 1) then                                                       ! relative path given as command line argument
+ if (scan(getLoadCaseFile,'/') /= 1) then                                                           ! relative path given as command line argument
   error = getcwd(cwd)
   if (error) call quit(1_pInt)
-   getLoadCaseFile = rectifyPath(trim(cwd)//pathSep//getLoadCaseFile)
+   getLoadCaseFile = rectifyPath(trim(cwd)//'/'//getLoadCaseFile)
 else
   getLoadCaseFile = rectifyPath(getLoadCaseFile)
 endif
@ -377,26 +379,26 @@ function rectifyPath(path)
 l = len_trim(path)
 rectifyPath = path
 do i = l,3,-1
-   if (rectifyPath(i-2:i) == pathSep//'.'//pathSep) &
+   if (rectifyPath(i-2:i) == '/'//'.'//'/') &
     rectifyPath(i-1:l) = rectifyPath(i+1:l)//'  '
 enddo

 !--------------------------------------------------------------------------------------------------
 ! remove ../ and corresponding directory from rectifyPath
 l = len_trim(rectifyPath)
- i = index(rectifyPath(i:l),'..'//pathSep)
+ i = index(rectifyPath(i:l),'..'//'/')
 j = 0
 do while (i > j)
-    j = scan(rectifyPath(1:i-2),pathSep,back=.true.)
+    j = scan(rectifyPath(1:i-2),'/',back=.true.)
    rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
-    if (rectifyPath(j+1:j+1) == pathSep) then                                                       !search for '//' that appear in case of XXX/../../XXX
+    if (rectifyPath(j+1:j+1) == '/') then                                                           !search for '//' that appear in case of XXX/../../XXX
      k = len_trim(rectifyPath)
      rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
      rectifyPath(k:k) = ' '
    endif
-    i = j+index(rectifyPath(j+1:l),'..'//pathSep)
+    i = j+index(rectifyPath(j+1:l),'..'//'/')
 enddo
- if(len_trim(rectifyPath) == 0) rectifyPath = pathSep
+ if(len_trim(rectifyPath) == 0) rectifyPath = '/'

 end function rectifyPath

@ -415,12 +417,12 @@ character(len=1024) function makeRelativePath(a,b)

 do i = 1, min(1024,len_trim(a),len_trim(b))
   if (a(i:i) /= b(i:i)) exit
-   if (a(i:i) == pathSep) posLastCommonSlash = i
+   if (a(i:i) == '/') posLastCommonSlash = i
 enddo
 do i = posLastCommonSlash+1,len_trim(a)
-   if (a(i:i) == pathSep) remainingSlashes = remainingSlashes + 1
+   if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1
 enddo
- makeRelativePath = repeat('..'//pathSep,remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
+ makeRelativePath = repeat('..'//'/',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))

 end function makeRelativePath

--- a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config
+++ b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config
@ -50,7 +50,7 @@ interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficient

 ### Shearband parameters ###
 shearbandresistance 180e6
-shearbandvelocity   1e-4            # set to zero to turn shear banding of
+shearbandvelocity   0e-4            # set to zero to turn shear banding of
 QedgePerSbSystem    3.7e-19         # Activation energy for shear banding [J]
 p_shearband         1.0             # p-exponent in glide velocity
 q_shearband         1.0             # q-exponent in glide velocity
--- a/examples/ConfigFiles/Phase_None_Orthorombic.config
+++ b/examples/ConfigFiles/Phase_None_Orthorombic.config
@ -12,4 +12,4 @@ c13                     60.41e9
 c23                     60.41e9
 c44                     28.34e9
 c55                     28.34e9
-c66                     28.34e9
+c66                     28.34e9
--- a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.config
+++ b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.config
@ -18,8 +18,5 @@ tau0_slip                95.e6  97.e6           # per family, optimization long
 tausat_slip             222.e6 412.7e6          # per family, optimization long simplex 109
 h0_slipslip             1000.0e6
 interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-interaction_sliptwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twinslip    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twintwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
 w0_slip                 2.0
 (output) totalshear
--- a/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.config
+++ b/examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.config
@ -18,8 +18,5 @@ tau0_slip               405.8e6  456.7e6        # per family
 tausat_slip             872.9e6  971.2e6        # per family
 h0_slipslip             563.0e9
 interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-interaction_sliptwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twinslip    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twintwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
 w0_slip                 2.0
 (output) totalshear
--- a/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config
+++ b/examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config
@ -35,18 +35,7 @@ tausat_slip             53.00e6                # per family
 a_slip                  1.0
 gdot0_twin              0.001
 n_twin                  20
-tau0_twin               0                     # per family
-s_pr                    0                     # push-up factor for slip saturation due to twinning
-twin_b                  0
-twin_c                  0
-twin_d                  0
-twin_e                  0
 h0_slipslip             75e6
-h0_twinslip             0
-h0_twintwin             0
 interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-interaction_sliptwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twinslip    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twintwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 atol_resistance         1

--- a/examples/ConfigFiles/Phase_Phenopowerlaw_multiField.config
+++ b/examples/ConfigFiles/Phase_Phenopowerlaw_multiField.config
@ -29,18 +29,8 @@ a_slip                  2.25
 gdot0_twin              0.001
 n_twin                  20
 tau0_twin               31e6                # per family
-s_pr                    0                     # push-up factor for slip saturation due to twinning
-twin_b                  0
-twin_c                  0
-twin_d                  0
-twin_e                  0
 h0_slipslip             75e6
-h0_twinslip             0
-h0_twintwin             0
 interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-interaction_sliptwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twinslip    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twintwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 atol_resistance         1

 (stiffness_degradation) damage
--- a/examples/ConfigFiles/Source_Damage_IsoBrittle.config
+++ b/examples/ConfigFiles/Source_Damage_IsoBrittle.config
@ -2,4 +2,4 @@
 isobrittle_criticalStrainEnergy 1400000.0
 isobrittle_atol                 0.01
 isobrittle_N                    1.0
-(output) isoBrittle_DrivingForce
+(output) isoBrittle_DrivingForce
--- a/examples/ConfigFiles/Texture_Gauss_001.config
+++ b/examples/ConfigFiles/Texture_Gauss_001.config
@ -1,2 +1,2 @@
 [001]
-(gauss)		phi1	0.000	Phi	0.000	phi2	0.000	scatter	0.000	fraction	1.000
+(gauss)		phi1	0.000	Phi	0.000	phi2	0.000	scatter	0.000	fraction	1.000
--- a/examples/ConfigFiles/Texture_Gauss_101.config
+++ b/examples/ConfigFiles/Texture_Gauss_101.config
@ -1,2 +1,2 @@
 [101]
-(gauss)		phi1	0.000	Phi	45.000	phi2	90.000	scatter	0.000	fraction	1.000
+(gauss)		phi1	0.000	Phi	45.000	phi2	90.000	scatter	0.000	fraction	1.000
--- a/examples/ConfigFiles/Texture_Gauss_111.config
+++ b/examples/ConfigFiles/Texture_Gauss_111.config
@ -1,2 +1,2 @@
 [111]
-(gauss)		phi1	0.000	Phi	54.7356	phi2	45.000	scatter	0.000	fraction	1.000
+(gauss)		phi1	0.000	Phi	54.7356	phi2	45.000	scatter	0.000	fraction	1.000
--- a/examples/ConfigFiles/Texture_Gauss_123.config
+++ b/examples/ConfigFiles/Texture_Gauss_123.config
@ -1,2 +1,2 @@
 [123]
-(gauss)		phi1	209.805	Phi	29.206	phi2	63.435	scatter	0.000	fraction	1.000
+(gauss)		phi1	209.805	Phi	29.206	phi2	63.435	scatter	0.000	fraction	1.000
--- a/examples/ConfigFiles/Texture_RandomSingleCrystals.config
+++ b/examples/ConfigFiles/Texture_RandomSingleCrystals.config
@ -1,2 +1,2 @@
 [RandomSingleCrystals]
-(random) scatter 0.000 fraction 1.000
+(random) scatter 0.000 fraction 1.000
--- a/examples/SpectralMethod/material.config
+++ b/examples/SpectralMethod/material.config
@ -52,22 +52,8 @@ n_slip                  20
 tau0_slip                 31e6 # per family
 tausat_slip               63e6 # per family
 a_slip                  2.25
-gdot0_twin              0.001
-n_twin                  20
-tau0_twin                 31e6 # per family
-s_pr                    0                        # push-up factor for slip saturation due to twinning
-twin_b                  0
-twin_c                  0
-twin_d                  0
-twin_e                  0
 h0_slipslip             75e6
-h0_sliptwin             0
-h0_twinslip             0
-h0_twintwin             0
 interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-interaction_sliptwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twinslip    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-interaction_twintwin    1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 atol_resistance         1


--- a/installation/mods_Abaqus/abaqus_v6.env
+++ b/installation/mods_Abaqus/abaqus_v6.env
@ -31,7 +31,7 @@ fortCmd = "ifort"
 # -integer-size 32 -DINT=4     assume size of integer to be 4 bytes, matches our definition of pInt

 compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + 
-                   "-I%I -I../lib -free -O1 -fpp -openmp " +
+                   "-I%I -free -O1 -fpp -openmp " +
                   "-ftz -diag-disable 5268 " +
                   "-implicitnone -assume byterecl -stand f08 -standard-semantics " +
                   "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
--- a/installation/mods_Abaqus/abaqus_v6_serial.env
+++ b/installation/mods_Abaqus/abaqus_v6_serial.env
@ -31,7 +31,7 @@ fortCmd = "ifort"
 # -integer-size 32 -DINT=4     assume size of integer to be 4 bytes, matches our definition of pInt

 compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + 
-                   "-I%I -I../lib -free -O1 -fpp " +
+                   "-I%I -free -O1 -fpp " +
                   "-ftz -diag-disable 5268 " +
                   "-implicitnone -assume byterecl -stand f08 -standard-semantics " +
                   "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
--- a/lib/damask/environment.py
+++ b/lib/damask/environment.py
@ -33,7 +33,7 @@ class Environment():
                      'explicit':5}
    if Nneeded == -1: Nneeded = licensesNeeded[software]
    try:
-      cmd = """ ssh mulicense2 "/Stat_Flexlm | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software
+      cmd = """ ssh mulicense2 "/lm-status | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software
      process = subprocess.Popen(shlex.split(cmd),stdout = subprocess.PIPE,stderr = subprocess.PIPE)
      licenses = list(map(int, process.stdout.readline().split()))
      try:
--- a/processing/post/postResults.py
+++ b/processing/post/postResults.py
@ -851,7 +851,7 @@ for opt in ['nodalScalar','elemScalar','elemTensor','homogenizationResult','crys

 if options.info:
  if options.filetype == 'marc':
-    print('\n\nMentat release {}'.format(damask.solver.Marc().version('../../')))
+    print('\n\nMentat release {}'.format(damask.solver.Marc().version()))
  if options.filetype == 'spectral':
    print('\n\n{}'.format(p))

--- a/processing/pre/geom_addPrimitive.py
+++ b/processing/pre/geom_addPrimitive.py
@ -48,29 +48,32 @@ parser.add_option(     '--degrees',     dest='degrees', action='store_true',
                  help = 'angle is given in degrees [%default]')
 parser.add_option(     '--nonperiodic', dest='periodic', action='store_false',
                  help = 'wrap around edges [%default]')
-
-parser.set_defaults(center = [0,0,0],
+parser.add_option(     '--voxelspace',  dest='voxelspace', action='store_true',
+                  help = '-c and -d are given in (0 to grid) coordinates instead of (origin to origin+size) \
+coordinates [%default]')
+parser.set_defaults(center = (.0,.0,.0),
                    fill = 0,
-                    quaternion = [],
-                    angleaxis = [],
                    degrees = False,
-                    exponent = [1e10,1e10,1e10], # box shape by default
-                    periodic = True
+                    exponent = (1e10,1e10,1e10), # box shape by default
+                    periodic = True,
+                    voxelspace = False
                   )

 (options, filenames) = parser.parse_args()
-
-if options.angleaxis != []:
+if options.dimension is None:
+  parser.error('no dimension specified.')   
+if options.angleaxis is not None:
  options.angleaxis = map(float,options.angleaxis)
  rotation = damask.Quaternion().fromAngleAxis(np.radians(options.angleaxis[0]) if options.degrees else options.angleaxis[0],
                                               options.angleaxis[1:4])
-elif options.quaternion != []:
+elif options.quaternion is not None:
  options.quaternion = map(float,options.quaternion)
  rotation = damask.Quaternion(options.quaternion)
 else:
  rotation = damask.Quaternion()

 options.center = np.array(options.center)
+options.dimension = np.array(options.dimension)

 # --- loop over input files -------------------------------------------------------------------------
 if filenames == []: filenames = [None]
@ -117,9 +120,14 @@ for name in filenames:
  
  # If we have a negative dimension, make it an ellipsoid for backwards compatibility
  options.exponent = np.where(np.array(options.dimension) > 0, options.exponent, 2)
-  
  microstructure = microstructure.reshape(info['grid'],order='F')
  
+  # coordinates given in real space (default) vs voxel space
+  if not options.voxelspace:
+    options.center    += info['origin']
+    options.center    *= np.array(info['grid']) / np.array(info['size'])
+    options.dimension *= np.array(info['grid']) / np.array(info['size'])
+
  size = microstructure.shape  

  # change to coordinate space where the primitive is the unit sphere/cube/etc