Merge branch 'development' into 53-separate-mesh-for-different-solvers-3

.gitlab-ci.yml

@@ -7,9 +7,9 @@ stages:
   - compilePETScGNU
   - prepareSpectral
   - spectral
-  - compileMarc2018_1
+  - compileMarc
   - marc
-  - compileAbaqus2017
+  - compileAbaqus
   - example
   - performance
   - createPackage
@@ -51,39 +51,37 @@ variables:
   # Names of module files to load
   # ===============================================================================================
   # ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
-  IntelCompiler16_0:               "Compiler/Intel/16.0 Libraries/IMKL/2016"
+  IntelCompiler16_4:               "Compiler/Intel/16.4 Libraries/IMKL/2016"
-  IntelCompiler16_4:               "Compiler/Intel/16.4 Libraries/IMKL/2016-4"
+  IntelCompiler17_8:               "Compiler/Intel/17.8 Libraries/IMKL/2017"
-  IntelCompiler17_0:               "Compiler/Intel/17.0 Libraries/IMKL/2017"
+  IntelCompiler18_4:               "Compiler/Intel/18.4 Libraries/IMKL/2018"
-  IntelCompiler18_1:               "Compiler/Intel/18.1 Libraries/IMKL/2018"
+  GNUCompiler8_2:                  "Compiler/GNU/8.2"
-  GNUCompiler7_3:                  "Compiler/GNU/7.3"
   # ------------ Defaults ----------------------------------------------
-  IntelCompiler:                   "$IntelCompiler18_1"
+  IntelCompiler:                   "$IntelCompiler18_4"
-  GNUCompiler:                     "$GNUCompiler7_3"
+  GNUCompiler:                     "$GNUCompiler8_2"
   # ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
-  MPICH3_2Intel18_1:               "MPI/Intel/18.1/MPICH/3.2.1"
+  IMPI2018Intel18_4:               "MPI/Intel/18.4/IntelMPI/2018"
-  MPICH3_2GNU7_3:                  "MPI/GNU/7.3/MPICH/3.2.1"
+  MPICH3_3GNU8_2:                  "MPI/GNU/8.2/MPICH/3.3"
   # ------------ Defaults ----------------------------------------------
-  MPICH_Intel:                     "$MPICH3_2Intel18_1"
+  MPICH_Intel:                     "$IMPI2018Intel18_4"
-  MPICH_GNU:                       "$MPICH3_2GNU7_3"
+  MPICH_GNU:                       "$MPICH3_3GNU8_2"
   # ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
-  PETSc3_10_0MPICH3_2Intel18_1:    "Libraries/PETSc/3.10.0/Intel-18.1-MPICH-3.2.1"
+  PETSc3_10_3IMPI2018Intel18_4:    "Libraries/PETSc/3.10.3/Intel-18.4-IntelMPI-2018"
-  PETSc3_10_0MPICH3_2GNU7_3:       "Libraries/PETSc/3.10.0/GNU-7.3-MPICH-3.2.1"
+  PETSc3_10_3MPICH3_3GNU8_2:       "Libraries/PETSc/3.10.3/GNU-8.2-MPICH-3.3"
   # ------------ Defaults ----------------------------------------------
-  PETSc_MPICH_Intel:               "$PETSc3_10_0MPICH3_2Intel18_1"
+  PETSc_MPICH_Intel:               "$PETSc3_10_3IMPI2018Intel18_4"
-  PETSc_MPICH_GNU:                 "$PETSc3_10_0MPICH3_2GNU7_3"
+  PETSc_MPICH_GNU:                 "$PETSc3_10_3MPICH3_3GNU8_2"
   # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
-  Abaqus2017:                      "FEM/Abaqus/2017"
+  Abaqus2019:                      "FEM/Abaqus/2019"
   MSC2018_1:                       "FEM/MSC/2018.1"
-  MSC2017:                         "FEM/MSC/2017"
   # ------------ Defaults ----------------------------------------------
-  Abaqus:                          "$Abaqus2017"
+  Abaqus:                          "$Abaqus2019"
   MSC:                             "$MSC2018_1"
-  IntelMarc:                       "$IntelCompiler17_0"
+  IntelMarc:                       "$IntelCompiler17_8"
   IntelAbaqus:                     "$IntelCompiler16_4"
   # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
-  Doxygen1_8_13:                   "Documentation/Doxygen/1.8.13"
+  Doxygen1_8_15:                   "Documentation/Doxygen/1.8.15"
   # ------------ Defaults ----------------------------------------------
-  Doxygen:                         "$Doxygen1_8_13"
+  Doxygen:                         "$Doxygen1_8_15"
 
 
 ###################################################################################################
@@ -158,6 +156,13 @@ Post_AverageDown:
     - master
     - release
 
+Post_ASCIItable:
+  stage: postprocessing
+  script: ASCIItable/test.py
+  except:
+    - master
+    - release
+
 Post_General:
   stage: postprocessing
   script: PostProcessing/test.py
@@ -383,9 +388,9 @@ TextureComponents:
 
 ###################################################################################################
 Marc_compileIfort2018_1:
-  stage: compileMarc2018_1
+  stage: compileMarc
   script:
-    - module load $IntelCompiler17_0 $MSC2018_1
+    - module load $IntelMarc $MSC
     - Marc_compileIfort/test.py -m 2018.1
   except:
     - master
@@ -430,11 +435,11 @@ J2_plasticBehavior:
     - release
 
 ###################################################################################################
-Abaqus_compile2017:
+Abaqus_compile:
-  stage: compileAbaqus2017
+  stage: compileAbaqus
   script:
-    - module load $IntelCompiler16_4 $Abaqus2017
+    - module load $IntelAbaqus $Abaqus
-    - Abaqus_compileIfort/test.py -a 2017
+    - Abaqus_compileIfort/test.py
   except:
     - master
     - release

CMakeLists.txt

@@ -445,6 +445,33 @@ elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
 
   # Additional options
   # -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4)
+
+
+###################################################################################################
+# PGI Compiler
+###################################################################################################
+elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
+
+  if (OPTIMIZATION STREQUAL "OFF")
+    set (OPTIMIZATION_FLAGS "-O0"       )
+  elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
+    set (OPTIMIZATION_FLAGS "-O2")
+  elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
+    set (OPTIMIZATION_FLAGS "-O3")
+  endif ()
+
+
+#------------------------------------------------------------------------------------------------
+# Fine tuning compilation options
+  set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
+  # preprocessor
+
+  set (STANDARD_CHECK "-Mallocatable=03")
+
+#------------------------------------------------------------------------------------------------
+# Runtime debugging
+  set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
+  # Includes debugging information in the object module; sets the optimization level to zero unless a -⁠O option is present on the command line
 else ()
   message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
 endif ()

CONFIG

@@ -8,6 +8,6 @@ set DAMASK_NUM_THREADS    = 4
 set MSC_ROOT              = /opt/msc
 set MARC_VERSION          = 2018.1
 
-set ABAQUS_VERSION        = 2017
+set ABAQUS_VERSION        = 2019
 
 set DAMASK_HDF5           = OFF

PRIVATE

@@ -1 +1 @@
-Subproject commit beb9682fff7d4d6c65aba12ffd04c7441dc6ba6b
+Subproject commit 18ba1ba6a5e9ba446dc9311acf2acf2781614db1

README

@@ -10,3 +10,4 @@ Germany
 
 Email: DAMASK@mpie.de
 https://damask.mpie.de
+https://magit1.mpie.de

VERSION

@@ -1 +1 @@
-v2.0.2-1674-g683dee82
+v2.0.2-1689-g1a471bcd

processing/post/addCumulative.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addDerivative.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/addLinked.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys
@@ -21,7 +21,7 @@ Add data of selected column(s) from (first) row of linked ASCIItable that shares
 parser.add_option('--link',
                   dest = 'link', nargs = 2,
                   type = 'string', metavar = 'string string',
-                  help = 'column labels containing linked values')
+                  help = 'column labels of table and linked table containing linking values')
 parser.add_option('-l','--label',
                   dest = 'label',
                   action = 'extend', metavar = '<string LIST>',
@@ -105,7 +105,8 @@ for name in filenames:
   outputAlive = True
   while outputAlive and table.data_read():                                                          # read next data line of ASCII table
     try:
-      table.data_append(data[np.argwhere(np.all((map(float,table.data[myLink:myLink+myLinkDim]) - index)==0,axis=1))[0]])  # add data of first matching line
+      table.data_append(data[np.argwhere(np.all((list(map(float,table.data[myLink:myLink+myLinkDim])) - index)==0,
+                                                 axis=1))[0]])                                      # add data of first matching line
     except IndexError:
       table.data_append(np.nan*np.ones_like(data[0]))                                               # or add NaNs
     outputAlive = table.data_write()                                                                # output processed line

processing/post/addTable.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/blowUp.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys

processing/post/vtk_addGridData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,vtk

processing/post/vtk_addPointcloudData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,vtk

processing/post/vtk_addRectilinearGridData.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,vtk

processing/post/vtk_pointcloud.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,vtk

processing/post/vtk_rectilinearGrid.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,vtk

processing/pre/geom_grainGrowth.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys,math
@@ -49,7 +49,7 @@ parser.set_defaults(d = 1,
 
 (options, filenames) = parser.parse_args()
 
-options.immutable = map(int,options.immutable)
+options.immutable = list(map(int,options.immutable))
 
 getInterfaceEnergy = lambda A,B: np.float32((A*B != 0)*(A != B)*1.0)                               # 1.0 if A & B are distinct & nonzero, 0.0 otherwise
 struc = ndimage.generate_binary_structure(3,1)                                                     # 3D von Neumann neighborhood
@@ -70,9 +70,9 @@ for name in filenames:
   table.head_read()
   info,extra_header = table.head_getGeom()
   
-  damask.util.croak(['grid     a b c:  {}'.format(' x '.join(map(str,info['grid']))),
+  damask.util.croak(['grid     a b c:  {}'.format(' x '.join(list(map(str,info['grid'])))),
-                     'size     x y z:  {}'.format(' x '.join(map(str,info['size']))),
+                     'size     x y z:  {}'.format(' x '.join(list(map(str,info['size'])))),
-                     'origin   x y z:  {}'.format(' : '.join(map(str,info['origin']))),
+                     'origin   x y z:  {}'.format(' : '.join(list(map(str,info['origin'])))),
                      'homogenization:  {}'.format(info['homogenization']),
                      'microstructures: {}'.format(info['microstructures']),
                     ])
@@ -102,9 +102,9 @@ for name in filenames:
     gauss = np.exp(-(X*X + Y*Y + Z*Z)/(2.0*options.d*options.d),dtype=np.float32) \
             /np.power(2.0*np.pi*options.d*options.d,(3.0 - np.count_nonzero(info['grid'] == 1))/2.,dtype=np.float32)
           
-    gauss[:,:,:grid[2]/2:-1] = gauss[:,:,1:(grid[2]+1)/2]     # trying to cope with uneven (odd) grid size
+    gauss[:,:,:grid[2]//2:-1] = gauss[:,:,1:(grid[2]+1)//2]     # trying to cope with uneven (odd) grid size
-    gauss[:,:grid[1]/2:-1,:] = gauss[:,1:(grid[1]+1)/2,:]
+    gauss[:,:grid[1]//2:-1,:] = gauss[:,1:(grid[1]+1)//2,:]
-    gauss[:grid[0]/2:-1,:,:] = gauss[1:(grid[0]+1)/2,:,:]
+    gauss[:grid[0]//2:-1,:,:] = gauss[1:(grid[0]+1)//2,:,:]
     gauss = np.fft.rfftn(gauss).astype(np.complex64)
 
   for smoothIter in range(options.N):
@@ -119,9 +119,9 @@ for name in filenames:
                                                           microstructure,i,axis=0), j,axis=1), k,axis=2)))
 
     # periodically extend interfacial energy array by half a grid size in positive and negative directions
-    periodic_interfaceEnergy = np.tile(interfaceEnergy,(3,3,3))[grid[0]/2:-grid[0]/2,
+    periodic_interfaceEnergy = np.tile(interfaceEnergy,(3,3,3))[grid[0]//2:-grid[0]//2,
-                                                                grid[1]/2:-grid[1]/2,
+                                                                grid[1]//2:-grid[1]//2,
-                                                                grid[2]/2:-grid[2]/2]
+                                                                grid[2]//2:-grid[2]//2]
 
     # transform bulk volume (i.e. where interfacial energy remained zero), store index of closest boundary voxel
     index = ndimage.morphology.distance_transform_edt(periodic_interfaceEnergy == 0.,                                            
@@ -148,15 +148,15 @@ for name in filenames:
                          ndimage.morphology.binary_dilation(interfaceEnergy > 0.,
                                                             structure = struc,
                                                             iterations = int(round(options.d*2.))-1),# fat boundary
-                         periodic_bulkEnergy[grid[0]/2:-grid[0]/2,                                 # retain filled energy on fat boundary...
+                         periodic_bulkEnergy[grid[0]//2:-grid[0]//2,                                 # retain filled energy on fat boundary...
-                                             grid[1]/2:-grid[1]/2,
+                                             grid[1]//2:-grid[1]//2,
-                                             grid[2]/2:-grid[2]/2],                                # ...and zero everywhere else
+                                             grid[2]//2:-grid[2]//2],                                # ...and zero everywhere else
                          0.)).astype(np.complex64) *
                          gauss).astype(np.float32)
 
-      periodic_diffusedEnergy = np.tile(diffusedEnergy,(3,3,3))[grid[0]/2:-grid[0]/2,
+      periodic_diffusedEnergy = np.tile(diffusedEnergy,(3,3,3))[grid[0]//2:-grid[0]//2,
-                                                                grid[1]/2:-grid[1]/2,
+                                                                grid[1]//2:-grid[1]//2,
-                                                                grid[2]/2:-grid[2]/2]              # periodically extend the smoothed bulk energy
+                                                                grid[2]//2:-grid[2]//2]              # periodically extend the smoothed bulk energy
 
 
     # transform voxels close to interface region
@@ -164,15 +164,15 @@ for name in filenames:
                                                       return_distances = False,
                                                       return_indices = True)                       # want index of closest bulk grain
 
-    periodic_microstructure = np.tile(microstructure,(3,3,3))[grid[0]/2:-grid[0]/2,
+    periodic_microstructure = np.tile(microstructure,(3,3,3))[grid[0]//2:-grid[0]//2,
-                                                              grid[1]/2:-grid[1]/2,
+                                                              grid[1]//2:-grid[1]//2,
-                                                              grid[2]/2:-grid[2]/2]                # periodically extend the microstructure
+                                                              grid[2]//2:-grid[2]//2]                # periodically extend the microstructure
 
     microstructure = periodic_microstructure[index[0],
                                              index[1],
-                                             index[2]].reshape(2*grid)[grid[0]/2:-grid[0]/2,
+                                             index[2]].reshape(2*grid)[grid[0]//2:-grid[0]//2,
-                                                                       grid[1]/2:-grid[1]/2,
+                                                                       grid[1]//2:-grid[1]//2,
-                                                                       grid[2]/2:-grid[2]/2]       # extent grains into interface region
+                                                                       grid[2]//2:-grid[2]//2]       # extent grains into interface region
 
     # replace immutable microstructures with closest mutable ones
     index = ndimage.morphology.distance_transform_edt(np.in1d(microstructure,options.immutable).reshape(grid),
@@ -236,3 +236,4 @@ for name in filenames:
 # --- output finalization --------------------------------------------------------------------------
 
   table.close()     
+  

processing/pre/geom_toTable.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import os,sys
@@ -48,11 +48,11 @@ for name in filenames:
   table.head_read()
   info,extra_header = table.head_getGeom()
   
-  damask.util.croak(['grid     a b c:  %s'%(' x '.join(map(str,info['grid']))),
+  damask.util.croak(['grid     a b c:  {}'.format(' x '.join(list(map(str,info['grid'])))),
-                     'size     x y z:  %s'%(' x '.join(map(str,info['size']))),
+                     'size     x y z:  {}'.format(' x '.join(list(map(str,info['size'])))),
-                     'origin   x y z:  %s'%(' : '.join(map(str,info['origin']))),
+                     'origin   x y z:  {}'.format(' : '.join(list(map(str,info['origin'])))),
-                     'homogenization:  %i'%info['homogenization'],
+                     'homogenization:  {}'.format(info['homogenization']),
-                     'microstructures: %i'%info['microstructures'],
+                     'microstructures: {}'.format(info['microstructures']),
                     ])
 
   errors = []

processing/pre/seeds_fromDistribution.py

@@ -1,10 +1,11 @@
-#!/usr/bin/env python2.7
+#!/usr/bin/env python3
 # -*- coding: UTF-8 no BOM -*-
 
 import threading,time,os,sys,random
 import numpy as np
 from optparse import OptionParser
-from cStringIO import StringIO
+from io import StringIO
+import binascii
 import damask
 
 scriptName = os.path.splitext(os.path.basename(__file__))[0]
@@ -96,7 +97,7 @@ class myThread (threading.Thread):
       perturbedGeomVFile = StringIO()
       perturbedSeedsVFile.reset()
       perturbedGeomVFile.write(damask.util.execute('geom_fromVoronoiTessellation '+
-                     ' -g '+' '.join(map(str, options.grid)),streamIn=perturbedSeedsVFile)[0])
+                     ' -g '+' '.join(list(map(str, options.grid))),streamIn=perturbedSeedsVFile)[0])
       perturbedGeomVFile.reset()
 
 #--- evaluate current seeds file ----------------------------------------------------------------------
@@ -214,7 +215,7 @@ options = parser.parse_args()[0]
 damask.util.report(scriptName,options.seedFile)
 
 if options.randomSeed is None:
-  options.randomSeed = int(os.urandom(4).encode('hex'), 16)
+  options.randomSeed = int(binascii.hexlify(os.urandom(4)),16)
 damask.util.croak(options.randomSeed)
 delta = (options.scale/options.grid[0],options.scale/options.grid[1],options.scale/options.grid[2])
 baseFile=os.path.splitext(os.path.basename(options.seedFile))[0]
@@ -240,17 +241,17 @@ if os.path.isfile(os.path.splitext(options.seedFile)[0]+'.seeds'):
     for line in initialSeedFile: bestSeedsVFile.write(line)
 else:
   bestSeedsVFile.write(damask.util.execute('seeds_fromRandom'+\
-                                ' -g '+' '.join(map(str, options.grid))+\
+                                ' -g '+' '.join(list(map(str, options.grid)))+\
                                 ' -r {:d}'.format(options.randomSeed)+\
                                 ' -N '+str(nMicrostructures))[0])
 bestSeedsUpdate = time.time()
 
 # ----------- tessellate initial seed file to get and evaluate geom file
-bestSeedsVFile.reset()
+bestSeedsVFile.seek(0)
 initialGeomVFile = StringIO()
 initialGeomVFile.write(damask.util.execute('geom_fromVoronoiTessellation '+
-                               ' -g '+' '.join(map(str, options.grid)),bestSeedsVFile)[0])
+                               ' -g '+' '.join(list(map(str, options.grid))),bestSeedsVFile)[0])
-initialGeomVFile.reset()
+initialGeomVFile.seek(0)
 initialGeomTable = damask.ASCIItable(initialGeomVFile,None,labeled=False,readonly=True)
 initialGeomTable.head_read()
 info,devNull =  initialGeomTable.head_getGeom()

python/damask/solver/abaqus.py

@@ -2,7 +2,7 @@
 
 from .solver import Solver
 import damask
-import subprocess,re
+import subprocess
 
 class Abaqus(Solver):
 
@@ -15,14 +15,13 @@ class Abaqus(Solver):
 
   def return_run_command(self,model):
     env=damask.Environment()
-    shortVersion = re.sub('[\.,-]', '',self.version)
     try:
-      cmd='abq'+shortVersion
+      cmd='abq'+self.version
-      subprocess.check_output(['abq'+shortVersion,'information=release'])
+      subprocess.check_output([cmd,'information=release'])
     except OSError:                                                                                 # link to abqXXX not existing
       cmd='abaqus'
       process = subprocess.Popen(['abaqus','information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
-      detectedVersion = process.stdout.readlines()[1].split()[1]
+      detectedVersion = process.stdout.readlines()[1].split()[1].decode('utf-8')
       if self.version != detectedVersion:
-        raise Exception('found Abaqus version %s, but requested %s'%(detectedVersion,self.version))
+        raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
-    return '%s -job %s -user %s/src/DAMASK_abaqus interactive'%(cmd,model,env.rootDir())
+    return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,env.rootDir())

src/C_routines.c

@@ -6,9 +6,11 @@
 #include <sys/stat.h>
 #include <stdio.h>
 #include <string.h>
+#include <signal.h>
 
 /* http://stackoverflow.com/questions/30279228/is-there-an-alternative-to-getcwd-in-fortran-2003-2008 */
 
+
 int isdirectory_c(const char *dir){
   struct stat statbuf;
   if(stat(dir, &statbuf) != 0)                                                                      /* error */
@@ -44,3 +46,11 @@ void gethostname_c(char hostname[], int *stat){
 int chdir_c(const char *dir){
   return chdir(dir);
 }
+
+void signalusr1_c(void (*handler)(int)){
+  signal(SIGUSR1, handler);
+}
+
+void signalusr2_c(void (*handler)(int)){
+  signal(SIGUSR2, handler);
+}

src/DAMASK_abaqus.f

@@ -40,16 +40,25 @@ subroutine DAMASK_interface_init
  character(len=256) :: wd
 
  call date_and_time(values = dateAndTime)
- write(6,'(/,a)') ' <<<+-  DAMASK_abaqus_std  -+>>>'
+ write(6,'(/,a)') ' <<<+-  DAMASK_abaqus  -+>>>'
- write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
+ write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
- write(6,'(/,a)')              ' Version: '//DAMASKVERSION
+ write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
- write(6,'(a,2(i2.2,a),i4.4)') ' Date:    ',dateAndTime(3),'/',&
+
-                                            dateAndTime(2),'/',&
+ write(6,'(a,/)')              ' Version: '//DAMASKVERSION
-                                            dateAndTime(1) 
+
- write(6,'(a,2(i2.2,a),i2.2)') ' Time:    ',dateAndTime(5),':',&
+! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
-                                            dateAndTime(6),':',&
+#if __INTEL_COMPILER >= 1800
-                                            dateAndTime(7)  
+ write(6,*) 'Compiled with: ', compiler_version()
- write(6,'(/,a)') ' <<<+-  DAMASK_interface init  -+>>>'
+ write(6,*) 'Compiler options: ', compiler_options()
+#else
+ write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
+                                                    ', build date :', __INTEL_COMPILER_BUILD_DATE
+#endif
+
+ write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
+
+ write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
+ write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
 
  call getoutdir(wd, lenOutDir)
  ierr = CHDIR(wd)

src/DAMASK_interface.f90

@@ -12,9 +12,9 @@
 module DAMASK_interface
  use prec, only: &
    pInt
-
  implicit none
  private
+ logical, public, protected :: SIGUSR1,SIGUSR2
  integer(pInt),       public, protected :: &
    interface_restartInc = 0_pInt                                                                    !< Increment at which calculation starts
  character(len=1024), public, protected :: &
@@ -42,6 +42,8 @@ contains
 subroutine DAMASK_interface_init()
  use, intrinsic :: &
    iso_fortran_env
+ use :: &
+   iso_c_binding
 #include <petsc/finclude/petscsys.h>
 #if defined(__GFORTRAN__) &&  __GNUC__ < 5
 ===================================================================================================
@@ -81,6 +83,8 @@ subroutine DAMASK_interface_init()
 
  use PETScSys
  use system_routines, only: &
+   signalusr1_C, &
+   signalusr2_C, &
    getHostName, &
    getCWD
 
@@ -139,16 +143,27 @@ subroutine DAMASK_interface_init()
 
  call date_and_time(values = dateAndTime)
  write(6,'(/,a)') ' <<<+-  DAMASK_interface init  -+>>>'
- write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
+ write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
- write(6,'(/,a)')              ' Version: '//DAMASKVERSION
+ write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
- write(6,'(a,2(i2.2,a),i4.4)') ' Date:    ',dateAndTime(3),'/',&
+
-                                            dateAndTime(2),'/',&
+ write(6,'(a,/)')              ' Version: '//DAMASKVERSION
-                                            dateAndTime(1) 
+
- write(6,'(a,2(i2.2,a),i2.2)') ' Time:    ',dateAndTime(5),':',&
+! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
-                                            dateAndTime(6),':',&
+#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
-                                            dateAndTime(7)  
+ write(6,*) 'Compiled with: ', compiler_version()
- write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
+ write(6,*) 'Compiler options: ', compiler_options()
-#include "compilation_info.f90"
+#elif defined(__INTEL_COMPILER)
+ write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
+                                                    ', build date :', __INTEL_COMPILER_BUILD_DATE
+#elif defined(__PGI)
+ write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
+                                                               '.', __PGIC_MINOR__
+#endif
+
+ write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
+
+ write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
+ write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
  
  call get_command(commandLine)
  chunkPos = IIO_stringPos(commandLine)
@@ -215,9 +230,11 @@ subroutine DAMASK_interface_init()
 
  call get_environment_variable('USER',userName)
  ! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
- write(6,'(a,a)')      ' Host name:              ', trim(getHostName())
+ write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
- write(6,'(a,a)')      ' User name:              ', trim(userName)
+ write(6,'(a,a)')      ' Host name: ', trim(getHostName())
- write(6,'(a,a)')      ' Command line call:      ', trim(commandLine)
+ write(6,'(a,a)')      ' User name: ', trim(userName)
+
+ write(6,'(/a,a)')     ' Command line call:      ', trim(commandLine)
  if (len(trim(workingDirArg)) > 0) &
    write(6,'(a,a)')    ' Working dir argument:   ', trim(workingDirArg)
  write(6,'(a,a)')      ' Geometry argument:      ', trim(geometryArg)
@@ -229,6 +246,12 @@ subroutine DAMASK_interface_init()
  if (interface_restartInc > 0_pInt) &
    write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
 
+ call signalusr1_c(c_funloc(setSIGUSR1))
+ call signalusr2_c(c_funloc(setSIGUSR2))
+ SIGUSR1 = .false.
+ SIGUSR2 = .false.
+
+
 end subroutine DAMASK_interface_init
 
 
@@ -412,6 +435,35 @@ character(len=1024) function makeRelativePath(a,b)
 
 end function makeRelativePath
 
+!--------------------------------------------------------------------------------------------------
+!> @brief sets global variable SIGUSR1 to .true. if program receives SIGUSR1
+!--------------------------------------------------------------------------------------------------
+subroutine setSIGUSR1(signal) bind(C)
+ use :: iso_c_binding
+   
+ implicit none
+ integer(C_INT), value :: signal
+ SIGUSR1 = .true.
+ 
+ write(6,*) 'received signal ',signal, 'set SIGUSR1'
+ 
+end subroutine setSIGUSR1
+ 
+ 
+!--------------------------------------------------------------------------------------------------
+!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
+!--------------------------------------------------------------------------------------------------
+subroutine setSIGUSR2(signal) bind(C)
+ use :: iso_c_binding
+
+ implicit none
+ integer(C_INT), value :: signal
+ SIGUSR2 = .true.
+
+ write(6,*) 'received signal ',signal, 'set SIGUSR2'
+  
+end subroutine setSIGUSR2
+
 
 !--------------------------------------------------------------------------------------------------
 !> @brief taken from IO, check IO_stringValue for documentation 
@@ -469,7 +521,6 @@ pure function IIO_stringPos(string)
  do while (verify(string(right+1:),SEP)>0)
    left  = right + verify(string(right+1:),SEP)
    right = left + scan(string(left:),SEP) - 2
-   if ( string(left:left) == '#' ) exit
    IIO_stringPos = [IIO_stringPos,int(left, pInt), int(right, pInt)]
    IIO_stringPos(1) = IIO_stringPos(1)+1_pInt
  enddo

src/DAMASK_marc.f90

@@ -53,17 +53,26 @@ subroutine DAMASK_interface_init
  character(len=1024) :: wd
 
  call date_and_time(values = dateAndTime)
- write(6,'(/,a)') ' <<<+-  DAMASK_Marc  -+>>>'
+ write(6,'(/,a)') ' <<<+-  DAMASK_abaqus  -+>>>'
- write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
+ write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
- write(6,'(/,a)')              ' Version: '//DAMASKVERSION
+ write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
- write(6,'(a,2(i2.2,a),i4.4)') ' Date:    ',dateAndTime(3),'/',&
+
-                                            dateAndTime(2),'/',&
+ write(6,'(a,/)')              ' Version: '//DAMASKVERSION
-                                            dateAndTime(1)
+
- write(6,'(a,2(i2.2,a),i2.2)') ' Time:    ',dateAndTime(5),':',&
+! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
-                                            dateAndTime(6),':',&
+#if __INTEL_COMPILER >= 1800
-                                            dateAndTime(7)
+ write(6,*) 'Compiled with: ', compiler_version()
- write(6,'(/,a)') ' <<<+-  DAMASK_interface init  -+>>>'
+ write(6,*) 'Compiler options: ', compiler_options()
-#include "compilation_info.f90"
+#else
+ write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
+                                                    ', build date :', __INTEL_COMPILER_BUILD_DATE
+#endif
+
+ write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
+
+ write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
+ write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
+
  inquire(5, name=wd)                                                                                ! determine inputputfile
  wd = wd(1:scan(wd,'/',back=.true.))
  ierr = CHDIR(wd)

src/FEM_utilities.f90

@@ -162,7 +162,6 @@ subroutine utilities_init()
 
  character(len=1024)                :: petsc_optionsPhysics
  integer(pInt)                      :: dimPlex
- integer(pInt)                      :: headerID = 205_pInt
  PetscInt,    allocatable           :: nEntities(:), nOutputCells(:), nOutputNodes(:)
  PetscInt                           :: dim
  PetscErrorCode                     :: ierr
@@ -213,13 +212,6 @@ subroutine utilities_init()
  nOutputCells(worldrank+1) = count(material_homog > 0_pInt)
  call MPI_Allreduce(MPI_IN_PLACE,nOutputNodes,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
  call MPI_Allreduce(MPI_IN_PLACE,nOutputCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
- if (worldrank == 0_pInt) then
-   open(unit=headerID, file=trim(getSolverJobName())//'.header', &
-        form='FORMATTED', status='REPLACE')
-   write(headerID, '(a,i0)') 'dimension : ',   dimPlex                                             
-   write(headerID, '(a,i0)') 'number of nodes : ', sum(nOutputNodes)
-   write(headerID, '(a,i0)') 'number of cells : ', sum(nOutputCells)
- endif 
 
 end subroutine utilities_init
 

src/compilation_info.f90

@@ -1,10 +0,0 @@
-#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
-  write(6,*) 'Compiled with ', compiler_version()
-  write(6,*) 'With options  ', compiler_options()
-#else
-  write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,&
-                                                     ', build date ', __INTEL_COMPILER_BUILD_DATE
-#endif
-write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
-write(6,*)
-flush(6)

src/kinematics_thermal_expansion.f90

@@ -24,10 +24,10 @@ module kinematics_thermal_expansion
  integer(pInt),                       dimension(:),           allocatable, target, public  :: &
    kinematics_thermal_expansion_Noutput                                                                           !< number of outputs per instance of this damage 
 
-! enum, bind(c)                                                                                                   ! ToDo kinematics need state machinery to deal with sizePostResult
+ enum, bind(c)                                                                                                   ! ToDo kinematics need state machinery to deal with sizePostResult
-!   enumerator :: undefined_ID, &                                                                                 ! possible remedy is to decouple having state vars from having output
+   enumerator :: undefined_ID, &                                                                                 ! possible remedy is to decouple having state vars from having output
-!                 thermalexpansionrate_ID                                                                         ! which means to separate user-defined types tState + tOutput...
+                 thermalexpansionrate_ID                                                                         ! which means to separate user-defined types tState + tOutput...
-! end enum
+ end enum
  public :: &
    kinematics_thermal_expansion_init, &
    kinematics_thermal_expansion_initialStrain, &

src/math.f90

@@ -118,6 +118,9 @@ module math
 !---------------------------------------------------------------------------------------------------
 
  public :: &
+#if defined(__PGI)
+   norm2, &
+#endif
    math_init, &
    math_qsort, &
    math_expand, &
@@ -351,20 +354,38 @@ end subroutine math_check
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Quicksort algorithm for two-dimensional integer arrays
-! Sorting is done with respect to array(1,:)
+! Sorting is done with respect to array(sort,:) and keeps array(/=sort,:) linked to it.
-! and keeps array(2:N,:) linked to it.
+! default: sort=1
 !--------------------------------------------------------------------------------------------------
-recursive subroutine math_qsort(a, istart, iend)
+recursive subroutine math_qsort(a, istart, iend, sortDim)
 
  implicit none
  integer(pInt), dimension(:,:), intent(inout) :: a
- integer(pInt), intent(in) :: istart,iend
+ integer(pInt), intent(in),optional :: istart,iend, sortDim
- integer(pInt) :: ipivot
+ integer(pInt) :: ipivot,s,e,d
  
- if (istart < iend) then
+ if(present(istart)) then
-   ipivot = qsort_partition(a,istart, iend)
+   s = istart
-   call math_qsort(a, istart, ipivot-1_pInt)
+ else
-   call math_qsort(a, ipivot+1_pInt, iend)
+   s = lbound(a,2)
+ endif
+ 
+ if(present(iend)) then
+   e = iend
+ else
+   e = ubound(a,2)
+ endif
+ 
+  if(present(sortDim)) then
+   d = sortDim
+ else
+   d = 1
+ endif
+  
+ if (s < e) then
+   ipivot = qsort_partition(a,s, e, d)
+   call math_qsort(a, s, ipivot-1_pInt, d)
+   call math_qsort(a, ipivot+1_pInt, e, d)
  endif
 
 !--------------------------------------------------------------------------------------------------
@@ -373,37 +394,34 @@ recursive subroutine math_qsort(a, istart, iend)
  !-------------------------------------------------------------------------------------------------
  !> @brief Partitioning required for quicksort
  !-------------------------------------------------------------------------------------------------
- integer(pInt) function qsort_partition(a, istart, iend)
+ integer(pInt) function qsort_partition(a, istart, iend, sort)
  
    implicit none
    integer(pInt), dimension(:,:), intent(inout) :: a
-   integer(pInt), intent(in) :: istart,iend
+   integer(pInt),                 intent(in)    :: istart,iend,sort
-   integer(pInt) :: i,j,k,tmp
+   integer(pInt), dimension(size(a,1))          :: tmp
+   integer(pInt) :: i,j
   
    do
-  ! find the first element on the right side less than or equal to the pivot point
+     ! find the first element on the right side less than or equal to the pivot point
      do j = iend, istart, -1_pInt
-       if (a(1,j) <= a(1,istart)) exit
+       if (a(sort,j) <= a(sort,istart)) exit
      enddo
-  ! find the first element on the left side greater than the pivot point
+     ! find the first element on the left side greater than the pivot point
      do i = istart, iend
-       if (a(1,i) > a(1,istart)) exit
+       if (a(sort,i) > a(sort,istart)) exit
      enddo
-     if (i < j) then ! if the indexes do not cross, exchange values
+     cross: if (i >= j) then ! if the indices cross, exchange left value with pivot and return with the partition index
-       do k = 1_pInt, int(size(a,1_pInt), pInt)
+       tmp         = a(:,istart)
-         tmp = a(k,i)
+       a(:,istart) = a(:,j)
-         a(k,i) = a(k,j)
+       a(:,j)      = tmp
-         a(k,j) = tmp
-       enddo
-     else           ! if they do cross, exchange left value with pivot and return with the partition index
-       do k = 1_pInt, int(size(a,1_pInt), pInt)
-         tmp = a(k,istart)
-         a(k,istart) = a(k,j)
-         a(k,j) = tmp
-       enddo
        qsort_partition = j
        return
-     endif
+     else cross ! if they do not cross, exchange values
+       tmp    = a(:,i)
+       a(:,i) = a(:,j)
+       a(:,j) = tmp
+     endif cross
    enddo
  
  end function qsort_partition
@@ -2707,4 +2725,19 @@ real(pReal) pure elemental function math_clip(a, left, right)
 
 end function math_clip
 
+
+#if defined(__PGI)
+!--------------------------------------------------------------------------------------------------
+!> @brief substitute for the norm2 intrinsic which is not available in PGI 18.10
+!--------------------------------------------------------------------------------------------------
+real(pReal) pure function norm2(v)
+ 
+ implicit none
+ real(pReal), intent(in), dimension(3) :: v
+ 
+ norm2 = sqrt(sum(v**2))
+
+end function norm2
+#endif
+
 end module math

src/system_routines.f90

@@ -3,11 +3,17 @@
 !> @brief    provides wrappers to C routines
 !--------------------------------------------------------------------------------------------------
 module system_routines
+ use, intrinsic :: ISO_C_Binding, only: &
+   C_INT, &
+   C_CHAR, &
+   C_NULL_CHAR
 
  implicit none
  private
  
  public :: &
+   signalusr1_C, &
+   signalusr2_C, &
    isDirectory, &
    getCWD, &
    getHostName, &
@@ -27,7 +33,7 @@ interface
    use, intrinsic :: ISO_C_Binding, only: &
      C_INT, &
      C_CHAR
-   character(kind=C_CHAR), dimension(1024), intent(out)  :: str                                     ! C string is an array
+   character(kind=C_CHAR), dimension(1024), intent(out) :: str                                      ! C string is an array
    integer(C_INT),intent(out)         :: stat
   end subroutine getCurrentWorkDir_C
 
@@ -35,7 +41,7 @@ interface
    use, intrinsic :: ISO_C_Binding, only: &
      C_INT, &
      C_CHAR
-   character(kind=C_CHAR), dimension(1024), intent(out)  :: str                                     ! C string is an array
+   character(kind=C_CHAR), dimension(1024), intent(out) :: str                                      ! C string is an array
    integer(C_INT),intent(out)         :: stat
   end subroutine getHostName_C
 
@@ -47,8 +53,19 @@ interface
    character(kind=C_CHAR), dimension(1024), intent(in) :: path                                      ! C string is an array
  end function chdir_C
  
-end interface
+ subroutine signalusr1_C(handler) bind(C)
+   use, intrinsic :: ISO_C_Binding, only: &
+     C_FUNPTR
+   type(C_FUNPTR), intent(in), value :: handler
+ end subroutine signalusr1_C
  
+  subroutine signalusr2_C(handler) bind(C)
+   use, intrinsic :: ISO_C_Binding, only: &
+     C_FUNPTR
+   type(C_FUNPTR), intent(in), value :: handler
+ end subroutine signalusr2_C
+
+end interface
 
 contains
 
@@ -56,21 +73,17 @@ contains
 !> @brief figures out if a given path is a directory (and not an ordinary file)
 !--------------------------------------------------------------------------------------------------
 logical function isDirectory(path)
-  use, intrinsic :: ISO_C_Binding, only: &
-    C_INT, &
-    C_CHAR, &
-    C_NULL_CHAR
 
-  implicit none
+ implicit none
-  character(len=*), intent(in) :: path
+ character(len=*), intent(in) :: path
-  character(kind=C_CHAR), dimension(1024) :: strFixedLength
+ character(kind=C_CHAR), dimension(1024) :: strFixedLength                                         ! C string as array
-  integer :: i 
+ integer :: i 
 
-  strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
+ strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
-  do i=1,len(path)                                                                                  ! copy array components
+ do i=1,len(path)                                                                                   ! copy array components
-    strFixedLength(i)=path(i:i)
+   strFixedLength(i)=path(i:i)
-  enddo
+ enddo
-  isDirectory=merge(.True.,.False.,isDirectory_C(strFixedLength) /= 0_C_INT)
+ isDirectory=merge(.True.,.False.,isDirectory_C(strFixedLength) /= 0_C_INT)
 
 end function isDirectory
 
@@ -79,29 +92,25 @@ end function isDirectory
 !> @brief gets the current working directory
 !--------------------------------------------------------------------------------------------------
 character(len=1024) function getCWD()
-  use, intrinsic :: ISO_C_Binding, only: &
-    C_INT, &
-    C_CHAR, &
-    C_NULL_CHAR
 
-  implicit none
+ implicit none
-  character(kind=C_CHAR), dimension(1024) :: charArray                                              ! C string is an array
+ character(kind=C_CHAR), dimension(1024) :: charArray                                               ! C string is an array
-  integer(C_INT) :: stat
+ integer(C_INT) :: stat
-  integer :: i
+ integer :: i
 
-  call getCurrentWorkDir_C(charArray,stat)
+ call getCurrentWorkDir_C(charArray,stat)
-  if (stat /= 0_C_INT) then
+ if (stat /= 0_C_INT) then
-    getCWD = 'Error occured when getting currend working directory'
+   getCWD = 'Error occured when getting currend working directory'
-  else
+ else
-    getCWD = repeat('',len(getCWD))
+   getCWD = repeat('',len(getCWD))
-    arrayToString: do i=1,len(getCWD)
+   arrayToString: do i=1,len(getCWD)
-      if (charArray(i) /= C_NULL_CHAR) then
+     if (charArray(i) /= C_NULL_CHAR) then
-        getCWD(i:i)=charArray(i)
+       getCWD(i:i)=charArray(i)
-      else
+     else
-        exit
+       exit
-      endif
+     endif
-    enddo arrayToString
+   enddo arrayToString
-  endif
+ endif
 
 end function getCWD
 
@@ -110,51 +119,42 @@ end function getCWD
 !> @brief gets the current host name
 !--------------------------------------------------------------------------------------------------
 character(len=1024) function getHostName()
-  use, intrinsic :: ISO_C_Binding, only: &
+ implicit none
-    C_INT, &
+ character(kind=C_CHAR), dimension(1024) :: charArray                                              ! C string is an array
-    C_CHAR, &
+ integer(C_INT) :: stat
-    C_NULL_CHAR
+ integer :: i
 
-  implicit none
+ call getHostName_C(charArray,stat)
-  character(kind=C_CHAR), dimension(1024) :: charArray                                              ! C string is an array
+ if (stat /= 0_C_INT) then
-  integer(C_INT) :: stat
+   getHostName = 'Error occured when getting host name'
-  integer :: i
+ else
-
+   getHostName = repeat('',len(getHostName))
-  call getHostName_C(charArray,stat)
+   arrayToString: do i=1,len(getHostName)
-  if (stat /= 0_C_INT) then
+     if (charArray(i) /= C_NULL_CHAR) then
-    getHostName = 'Error occured when getting host name'
+       getHostName(i:i)=charArray(i)
-  else
+     else
-    getHostName = repeat('',len(getHostName))
+       exit
-    arrayToString: do i=1,len(getHostName)
+     endif
-      if (charArray(i) /= C_NULL_CHAR) then
+   enddo arrayToString
-        getHostName(i:i)=charArray(i)
+ endif
-      else
-        exit
-      endif
-    enddo arrayToString
-  endif
 
 end function getHostName
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief changes the current working directory
 !--------------------------------------------------------------------------------------------------
 logical function setCWD(path)
-  use, intrinsic :: ISO_C_Binding, only: &
+ implicit none
-    C_INT, &
+ character(len=*), intent(in) :: path
-    C_CHAR, &
+ character(kind=C_CHAR), dimension(1024) :: strFixedLength                                          ! C string is an array
-    C_NULL_CHAR
+ integer :: i
 
-  implicit none
+ strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
-  character(len=*), intent(in) :: path
+ do i=1,len(path)                                                                                   ! copy array components
-  character(kind=C_CHAR), dimension(1024) :: strFixedLength                                         ! C string is an array
+   strFixedLength(i)=path(i:i)
-  integer :: i
+ enddo
-
+ setCWD=merge(.True.,.False.,chdir_C(strFixedLength) /= 0_C_INT)
-  strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
-  do i=1,len(path)                                                                                  ! copy array components
-    strFixedLength(i)=path(i:i)
-  enddo
-  setCWD=merge(.True.,.False.,chdir_C(strFixedLength) /= 0_C_INT)
 
 end function setCWD