started to implement restart facilities for spectral solver.

restart write is on per default
restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart
setting INT to a value <1 will turn restart write off

code/CPFEM.f90

@@ -92,7 +92,7 @@ subroutine CPFEM_initAll(Temperature,element,IP)
       call crystallite_init(Temperature)         ! (have to) use temperature of first IP for whole model
       call homogenization_init(Temperature)
       call CPFEM_init()
-      call DAMASK_interface_init()
+      if (trim(FEsolver)/='Spectral') call DAMASK_interface_init() ! Spectral solver is doing initialization earlier
       CPFEM_init_done = .true.
       CPFEM_init_inProgress = .false.
     else                                                                ! loser, loser...

code/DAMASK_spectral.f90

@@ -1,7 +1,7 @@
 ! Copyright 2011 Max-Planck-Institut fuer Eisenforschung GmbH
 !
 ! This file is part of DAMASK,
-! the Duesseldorf Advanced MAterial Simulation Kit.
+! the Duesseldorf Advanced Material Simulation Kit.
 !
 ! DAMASK is free software: you can redistribute it and/or modify
 ! it under the terms of the GNU General Public License as published by
@@ -128,49 +128,41 @@ program DAMASK_spectral
  complex(pReal), dimension(3,3) ::                      temp33_Complex
  real(pReal), dimension(3,3) ::                         temp33_Real
  integer(pInt) :: i, j, k, l, m, n, p
- integer(pInt) :: N_Loadcases, loadcase, step, iter, ielem, CPFEM_mode, ierr, notConvergedCounter, writtenOutCounter
+ integer(pInt) :: N_Loadcases, loadcase, step, iter, ielem, CPFEM_mode, ierr, notConvergedCounter, totalStepsCounter
  logical errmatinv
 
 !Initializing
 !$ call omp_set_num_threads(DAMASK_NumThreadsInt)         ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
-
+ if (.not.(command_argument_count()==4 .or. command_argument_count()==6)) call IO_error(error_ID=102)   ! check for correct number of given arguments
- print*, ''
- print*, '<<<+-  DAMASK_spectral init  -+>>>'
- print*, '$Id$'
- print*, ''
  
- myUnit = 234_pInt
+ call DAMASK_interface_init()
+ 
+ !$OMP CRITICAL (write2out)
+ print '(a)', ''
+ print '(a,a)', '<<<+-  DAMASK_spectral init  -+>>>'
+ print '(a,a)', '$Id$'
+ print '(a)', ''
+ print '(a,a)', 'Working Directory:    ',trim(getSolverWorkingDirectoryName())
+ print '(a,a)', 'Solver Job Name:      ',trim(getSolverJobName())
+ print '(a)', ''
+ !$OMP END CRITICAL (write2out)
 
+! Reading the loadcase file and allocate variables
+ myUnit = 234_pInt
+ path = getLoadcaseName()
+ if (.not. IO_open_file(myUnit,path)) call IO_error(error_ID=30,ext_msg = trim(path))
+ 
  N_l = 0_pInt
  N_Fdot = 0_pInt
  N_t = 0_pInt
  N_n = 0_pInt
- 
- time = 0.0_pReal
-
- notConvergedCounter = 0_pInt
- writtenOutCounter = 0_pInt
- resolution = 1_pInt
- geomdimension = 0.0_pReal
- 
- if (command_argument_count() /= 4) call IO_error(error_ID=102)         ! check for correct number of given arguments
-
-! Reading the loadcase file and allocate variables
- path = getLoadcaseName()
- !$OMP CRITICAL (write2out)
- print '(a)', '******************************************************'
- print '(a,a)', 'Working Directory:    ',trim(getSolverWorkingDirectoryName())
- print '(a,a)', 'Solver Job Name:      ',trim(getSolverJobName())
- print '(a)', '******************************************************'
- !$OMP END CRITICAL (write2out)
- if (.not. IO_open_file(myUnit,path)) call IO_error(error_ID=30,ext_msg = trim(path))
 
  rewind(myUnit)
  do
    read(myUnit,'(a1024)',END = 100) line
-   if (IO_isBlank(line)) cycle                                ! skip empty lines
+   if (IO_isBlank(line)) cycle                                         ! skip empty lines
    posLoadcase = IO_stringPos(line,maxNchunksLoadcase)
-   do i = 1, maxNchunksLoadcase, 1                            ! reading compulsory parameters for loadcase
+   do i = 1, maxNchunksLoadcase, 1                                     ! reading compulsory parameters for loadcase
        select case (IO_lc(IO_stringValue(line,posLoadcase,i)))
             case('l', 'velocitygrad', 'velgrad','velocitygradient')
                  N_l = N_l+1
@@ -181,11 +173,11 @@ program DAMASK_spectral
             case('n', 'incs', 'increments', 'steps', 'logincs', 'logsteps')
                  N_n = N_n+1
         end select
-   enddo                                                      ! count all identifiers to allocate memory and do sanity check
+   enddo                                                               ! count all identifiers to allocate memory and do sanity check
  enddo
 
 100 N_Loadcases = N_n
- if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) &               ! sanity check
+ if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) &                        ! sanity check
    call IO_error(error_ID=37,ext_msg = trim(path))                     ! error message for incomplete loadcase
 
  allocate (bc_deformation(3,3,N_Loadcases));        bc_deformation = 0.0_pReal
@@ -221,7 +213,7 @@ program DAMASK_spectral
          enddo
          bc_mask(:,:,1,loadcase) = transpose(reshape(bc_maskvector(1:9,1,loadcase),(/3,3/)))
          bc_deformation(:,:,loadcase) = math_plain9to33(valueVector)
-       case('s', 'stress', 'pk1', 'piolakirchhoff')
+       case('p', 'pk1', 'piolakirchhoff', 'stress')
          valueVector = 0.0_pReal
          forall (k = 1:9) bc_maskvector(k,2,loadcase) = IO_stringValue(line,posLoadcase,j+k) /= '*'
          do k = 1,9
@@ -268,6 +260,8 @@ program DAMASK_spectral
  gotDimension =.false.
  gotHomogenization = .false.
  spectralPictureMode = .false.
+ resolution = 1_pInt
+ geomdimension = 0.0_pReal
  
  path = getModelName()
  if (.not. IO_open_file(myUnit,trim(path)//InputFileExtension))&
@@ -342,6 +336,11 @@ program DAMASK_spectral
  
  !Output of geom file
  !$OMP CRITICAL (write2out)
+ print '(a)', ''
+ print '(a)', '******************************************************'
+ print '(a)', 'DAMASK spectral:'
+ print '(a)', 'The spectral method boundary value problem solver for'
+ print '(a)', 'the Duesseldorf Advanced Material Simulation Kit'
  print '(a)', '******************************************************'
  print '(a,a)', 'Geom File Name:       ',trim(path)//'.geom'
  print '(a)', '------------------------------------------------------'
@@ -533,12 +532,15 @@ program DAMASK_spectral
  bc_steps(1)= bc_steps(1) + 1_pInt
  write(538), 'increments', bc_steps                                        ! one entry per loadcase ToDo: rename keyword to steps
  bc_steps(1)= bc_steps(1) - 1_pInt
- write(538), 'startingIncrement', writtenOutCounter 
+ write(538), 'startingIncrement', totalStepsCounter 
  write(538), 'eoh'                                                         ! end of header
  write(538),  materialpoint_results(:,1,:)                                 ! initial (non-deformed) results
 !$OMP END CRITICAL (write2out)
 ! Initialization done
-
+  
+ time = 0.0_pReal
+ notConvergedCounter = 0_pInt
+ totalStepsCounter = 1_pInt
 !*************************************************************
 ! Loop over loadcases defined in the loadcase file
  do loadcase = 1, N_Loadcases
@@ -778,13 +780,13 @@ program DAMASK_spectral
      !ToDo: Incfluence for next loadcase
      if (mod(step,bc_frequency(loadcase)) == 0_pInt) then                          ! at output frequency
        write(538),  materialpoint_results(:,1,:)                                   ! write result to file
-       writtenOutCounter = writtenOutCounter + 1_pInt 
      endif
+     totalStepsCounter = totalStepsCounter + 1_pInt
      !$OMP CRITICAL (write2out)
      if(err_div<=err_div_tol .and. err_stress<=err_stress_tol) then
-       print '(2(A,I5.5),A,/)', '== Step = ',step, ' of Loadcase = ',loadcase, ' Converged =============='
+       print '(3(A,I5.5),A,/)', '== Step ',step, ' of Loadcase ',loadcase,' (Total ', totalStepsCounter,') Converged ====='
      else
-       print '(2(A,I5.5),A,/)', '== Step = ',step, ' of Loadcase = ',loadcase, ' NOT Converged =========='
+       print '(3(A,I5.5),A,/)', '== Step ',step, ' of Loadcase ',loadcase,' (Total ', totalStepsCounter,') NOT Converged ='
        notConvergedCounter = notConvergedCounter + 1
      endif
      !$OMP END CRITICAL (write2out)
@@ -794,8 +796,7 @@ program DAMASK_spectral
    enddo    ! end looping over loadcases
    !$OMP CRITICAL (write2out)
    print '(A,/)', '############################################################'
-   print '(a,i5.5,a)', 'A Total of ', notConvergedCounter, ' Steps did not Converge!'
+   print '(a,i5.5,a,i5.5,a)', 'Of ', totalStepsCounter, ' Total Steps,', notConvergedCounter, ' Steps did not Converge!'
-   print '(a,i5.5,a)', 'A Total of ', writtenOutCounter, ' Steps are written to File!'
    !$OMP END CRITICAL (write2out)
  close(538)
  call dfftw_destroy_plan(fftw_plan(1)); call dfftw_destroy_plan(fftw_plan(2))

code/DAMASK_spectral_interface.f90

@@ -22,10 +22,14 @@
 
 MODULE DAMASK_interface
  use prec, only: pInt, pReal
+ implicit none
+
  character(len=64), parameter :: FEsolver = 'Spectral'
  character(len=5),  parameter :: InputFileExtension = '.geom'
  character(len=4),  parameter :: LogFileExtension = '.log'    !until now, we don't have a log file. But IO.f90 requires it
-
+ logical :: restart_Write_Interface, restart_Read_Interface
+ character(len=1024) :: geometryParameter,loadcaseParameter
+ integer(pInt) :: restartParameter
 CONTAINS
 
 !********************************************************************
@@ -34,10 +38,87 @@ CONTAINS
 !********************************************************************
 subroutine DAMASK_interface_init()
 
+ implicit none
+
+ character(len=1024) commandLine
+ integer(pInt):: i, start, length
+
+ start = 0_pInt
+ length= 0_pInt
+ restart_Write_Interface =.true.
+ restart_Read_Interface = .false.
+
+ call get_command(commandLine)
+
+ do i=1,len(commandLine)                                           ! remove capitals
+   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
+ enddo
+ start = index(commandLine,'-g',.true.) + 3_pInt                   ! search for '-g' and jump to first char of geometry
+ if (index(commandLine,'--geom',.true.)>0) then                    ! if '--geom' is found, use that (contains '-g')
+   start = index(commandLine,'--geom',.true.) + 7_pInt
+ endif               
+ if (index(commandLine,'--geometry',.true.)>0) then                ! again, now searching for --geometry'
+   start = index(commandLine,'--geometry',.true.) + 11_pInt
+ endif
+ if(start==3_pInt) stop 'No Geometry specified, terminating DAMASK'! Could not find valid keyword. Functions from IO.f90 are not available
+ length = index(commandLine(start:len(commandLine)),' ',.false.)
+
+ call get_command(commandLine)                                     ! may contain capitals
+ geometryParameter = ''                                            ! should be empty
+ geometryParameter(1:length)=commandLine(start:start+length)
+ 
+ call get_command(commandLine)
+ do i=1,len(commandLine)                                           ! remove capitals
+   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
+ enddo
+ 
+ start = index(commandLine,'-l',.true.) + 3_pInt                   ! search for '-l' and jump forward to given name
+ if (index(commandLine,'--load',.true.)>0) then                    ! if '--load' is found, use that (contains '-l')
+   start = index(commandLine,'--load',.true.) + 7_pInt
+ endif               
+ if (index(commandLine,'--loadcase',.true.)>0) then                ! again, now searching for --loadcase'
+   start = index(commandLine,'--loadcase',.true.) + 11_pInt
+ endif
+ if(start==3_pInt) stop 'No Loadcase specified, terminating DAMASK'! Could not find valid keyword functions from IO.f90 are not available
+ length = index(commandLine(start:len(commandLine)),' ',.false.)
+ 
+ call get_command(commandLine)                                     ! may contain capitals
+ loadcaseParameter = ''                                            ! should be empty
+ loadcaseParameter(1:length)=commandLine(start:start+length)
+
+ do i=1,len(commandLine)                                           ! remove capitals
+   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
+ enddo
+ 
+ start = index(commandLine,'-r',.true.) + 3_pInt                   ! search for '-r' and jump forward to given name
+ if (index(commandLine,'--restart',.true.)>0) then                 ! if '--restart' is found, use that (contains '-r')
+   start = index(commandLine,'--restart',.true.) + 10_pInt
+ endif               
+ length = index(commandLine(start:len(commandLine)),' ',.false.)
+
+ if(start/=3_pInt) then
+   read(commandLine(start:start+length),'(I)') restartParameter
+   if (restartParameter>0) then
+      restart_Read_Interface = .true.
+   else
+     restart_Write_Interface =.false.
+   endif
+ endif
+ !$OMP CRITICAL (write2out)
  write(6,*)
  write(6,*) '<<<+-  DAMASK_spectral_interface init  -+>>>'
  write(6,*) '$Id$'
  write(6,*)
+ write(6,*) 'Geometry Parameter: ', trim(geometryParameter)
+ write(6,*) 'Loadcase Parameter: ', trim(loadcaseParameter)
+ write(6,*) 'Restart Write: ', restart_Write_Interface
+ if (restart_Read_Interface) then
+   write(6,*) 'Restart Read: ', restartParameter
+ else 
+   write(6,'(a,I5)') 'Restart Read at Step: ', restart_Read_Interface
+ endif
+ write(6,*)
+ !$OMP END CRITICAL (write2out)
 
 endsubroutine DAMASK_interface_init
 
@@ -50,34 +131,14 @@ function getSolverWorkingDirectoryName()
  use prec, only: pInt
  implicit none
 
- character(len=1024) cwd,commandLine,outName,getSolverWorkingDirectoryName
+ character(len=1024) cwd,getSolverWorkingDirectoryName
- character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forwardslash, backwardslash
+ character(len=*), parameter :: pathSep = achar(47) //achar(92)              !forwardslash, backwardslash
- integer(pInt):: i, start, length
- 
- call get_command(commandLine)
- do i=1,len(commandLine)                                           ! remove capitals
-   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
- enddo
- 
- start = index(commandLine,'-g',.true.) + 3_pInt                   ! search for '-g' and jump to first char of geometry
- if (index(commandLine,'--geom',.true.)>0) then                    ! if '--geom' is found, use that (contains '-g')
-   start = index(commandLine,'--geom',.true.) + 7_pInt
- endif               
- if (index(commandLine,'--geometry',.true.)>0) then                ! again, now searching for --geometry'
-   start = index(commandLine,'--geometry',.true.) + 11_pInt
- endif
- if(start==3_pInt) stop 'No Geometry Specified, terminating DAMASK'! Could not find valid keyword functions from IO.f90 are not available
- length = index(commandLine(start:len(commandLine)),' ',.false.)
 
- call get_command(commandLine)                                     ! may contain capitals
+ if (scan(geometryParameter,pathSep) == 1) then                              ! absolute path given as command line argument
- outName = ' '                                                     ! should be empty
+   getSolverWorkingDirectoryName = geometryParameter(1:scan(geometryParameter,pathSep,back=.true.))
- outName(1:length)=commandLine(start:start+length)
- 
- if (scan(outName,pathSep) == 1) then                              ! absolute path given as command line argument
-   getSolverWorkingDirectoryName = outName(1:scan(outName,pathSep,back=.true.))
  else
    call getcwd(cwd)
-   getSolverWorkingDirectoryName = trim(cwd)//'/'//outName(1:scan(outName,pathSep,back=.true.))
+   getSolverWorkingDirectoryName = trim(cwd)//'/'//geometryParameter(1:scan(geometryParameter,pathSep,back=.true.))
  endif
 
  getSolverWorkingDirectoryName = rectifyPath(getSolverWorkingDirectoryName)
@@ -91,6 +152,7 @@ endfunction getSolverWorkingDirectoryName
 function getSolverJobName()
 
  implicit none
+
  character(1024) :: getSolverJobName
 
  getSolverJobName = trim(getModelName())//'_'//trim(getLoadCase())
@@ -107,34 +169,15 @@ function getModelName()
 
  implicit none
 
- character(1024) getModelName, outName, cwd, commandLine
+ character(1024) getModelName, cwd
  character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forwardslash, backwardslash
- integer(pInt) :: i,posExt,posSep,start,length
+ integer(pInt) :: posExt,posSep
  
- call get_command(commandLine)
+ posExt = scan(geometryParameter,'.',back=.true.)
- do i=1,len(commandLine)                                           ! remove capitals
+ posSep = scan(geometryParameter,pathSep,back=.true.)
-   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
- enddo
- 
- start = index(commandLine,'-g',.true.) + 3_pInt                   ! search for '-g' and jump to first char of geometry
- if (index(commandLine,'--geom',.true.)>0) then                    ! if '--geom' is found, use that (contains '-g')
-   start = index(commandLine,'--geom',.true.) + 7_pInt
- endif               
- if (index(commandLine,'--geometry',.true.)>0) then                ! again, now searching for --geometry'
-   start = index(commandLine,'--geometry',.true.) + 11_pInt
- endif
- if(start==3_pInt) stop 'No Geometry Specified, terminating DAMASK'! Could not find valid keyword functions from IO.f90 are not available
- length = index(commandLine(start:len(commandLine)),' ',.false.)
- 
- call get_command(commandLine)                                     ! may contain capitals
- getModelName = ' '
- outName = ' '                                                     ! should be empty
- outName(1:length)=commandLine(start:start+length)
- posExt = scan(outName,'.',back=.true.)
- posSep = scan(outName,pathSep,back=.true.)
 
- if (posExt <= posSep) posExt = len_trim(outName)+1       ! no extension present
+ if (posExt <= posSep) posExt = len_trim(geometryParameter)+1       ! no extension present
- getModelName = outName(1:posExt-1)                       ! path to geometry file (excl. extension)
+ getModelName = geometryParameter(1:posExt-1)                       ! path to geometry file (excl. extension)
 
  if (scan(getModelName,pathSep) /= 1) then                ! relative path given as command line argument
    call getcwd(cwd)
@@ -158,34 +201,15 @@ function getLoadCase()
 
  implicit none
 
- character(1024) getLoadCase, outName, commandLine
+ character(1024) getLoadCase
  character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forwardslash, backwardslash
- integer(pInt) posExt,posSep,i,start,length
+ integer(pInt) posExt,posSep
 
- call get_command(commandLine)
+ posExt = scan(loadcaseParameter,'.',back=.true.)
- do i=1,len(commandLine)                                           ! remove capitals
+ posSep = scan(loadcaseParameter,pathSep,back=.true.)
-   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
- enddo
- 
- start = index(commandLine,'-l',.true.) + 3_pInt                   ! search for '-l' and jump forward to given name
- if (index(commandLine,'--load',.true.)>0) then                    ! if '--load' is found, use that (contains '-l')
-   start = index(commandLine,'--load',.true.) + 7_pInt
- endif               
- if (index(commandLine,'--loadcase',.true.)>0) then                ! again, now searching for --loadcase'
-   start = index(commandLine,'--loadcase',.true.) + 11_pInt
- endif
- if(start==3_pInt) stop 'No Loadcase  Specified, terminating DAMASK'! Could not find valid keyword functions from IO.f90 are not available
- length = index(commandLine(start:len(commandLine)),' ',.false.)
- 
- call get_command(commandLine)                                     ! may contain capitals
- getLoadCase = ''
- outName = ' '                                                     ! should be empty
- outName(1:length)=commandLine(start:start+length)
- posExt = scan(outName,'.',back=.true.)
- posSep = scan(outName,pathSep,back=.true.)
 
- if (posExt <= posSep) posExt = len_trim(outName)+1                ! no extension present
+ if (posExt <= posSep) posExt = len_trim(loadcaseParameter)+1                ! no extension present
- getLoadCase = outName(posSep+1:posExt-1)                          ! name of load case file exluding extension
+ getLoadCase = loadcaseParameter(posSep+1:posExt-1)                          ! name of load case file exluding extension
 
 endfunction getLoadCase
 
@@ -200,30 +224,12 @@ function getLoadcaseName()
 
  implicit none
 
- character(len=1024) getLoadcaseName, cwd, commandLine
+ character(len=1024) getLoadcaseName,cwd
  character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forwardslash, backwardslash
- integer(pInt) posExt,posSep,i,start,length
+ integer(pInt) posExt,posSep
- posExt = 0
+ posExt = 0_pInt
-
- call get_command(commandLine)
- do i=1,len(commandLine)                                           ! remove capitals
-   if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
- enddo
- 
- start = index(commandLine,'-l',.true.) + 3_pInt                   ! search for '-l' and jump forward to given name
- if (index(commandLine,'--load',.true.)>0) then                    ! if '--load' is found, use that (contains '-l')
-   start = index(commandLine,'--load',.true.) + 7_pInt
- endif               
- if (index(commandLine,'--loadcase',.true.)>0) then                ! again, now searching for --loadcase'
-   start = index(commandLine,'--loadcase',.true.) + 11_pInt
- endif
- if(start==3_pInt) stop 'No Loadcase  Specified, terminating DAMASK'! Could not find valid keyword functions from IO.f90 are not available
- length = index(commandLine(start:len(commandLine)),' ',.false.)
-
- call get_command(commandLine)                                     ! may contain capitals
- getLoadCaseName = ' '
- getLoadCaseName(1:length)=commandLine(start:start+length)
 
+ getLoadcaseName = loadcaseParameter
  posExt = scan(getLoadcaseName,'.',back=.true.)
  posSep = scan(getLoadcaseName,pathSep,back=.true.)
 

code/FEsolving.f90

@@ -48,7 +48,7 @@
  
  use prec, only: pInt
  use debug, only: debug_verbosity
- use DAMASK_interface, only: getModelName, FEsolver
+ use DAMASK_interface
  use IO
  implicit none
  
@@ -60,41 +60,43 @@
  character(len=1024) line
 
  FEmodelGeometry = getModelName()
-
  if (IO_open_inputFile(fileunit,FEmodelGeometry)) then
- 
+   if(trim(FEsolver)=='Spectral') then
-   rewind(fileunit)
+     restartWrite = restart_Write_Interface
-   do
+     restartRead  = restart_Read_Interface
-     read (fileunit,'(a1024)',END=100) line
+   else
-     positions = IO_stringPos(line,maxNchunks)
+     rewind(fileunit)
-     tag = IO_lc(IO_stringValue(line,positions,1))        ! extract key
+     do
-     select case(tag)
+       read (fileunit,'(a1024)',END=100) line
-       case ('solver')
+       positions = IO_stringPos(line,maxNchunks)
-         read (fileunit,'(a1024)',END=100) line  ! next line
+       tag = IO_lc(IO_stringValue(line,positions,1))        ! extract key
-         positions = IO_stringPos(line,maxNchunks)
+       select case(tag)
-         symmetricSolver = (IO_intValue(line,positions,2) /= 1_pInt)
+         case ('solver')
-       case ('restart')
+           read (fileunit,'(a1024)',END=100) line  ! next line
-         read (fileunit,'(a1024)',END=100) line  ! next line
+           positions = IO_stringPos(line,maxNchunks)
-         positions = IO_stringPos(line,maxNchunks)
+           symmetricSolver = (IO_intValue(line,positions,2) /= 1_pInt)
-         restartWrite = iand(IO_intValue(line,positions,1),1_pInt) > 0_pInt
+         case ('restart')
-         restartRead  = iand(IO_intValue(line,positions,1),2_pInt) > 0_pInt
+           read (fileunit,'(a1024)',END=100) line  ! next line
-       case ('*restart')
+           positions = IO_stringPos(line,maxNchunks)
-         do i=2,positions(1)
+           restartWrite = iand(IO_intValue(line,positions,1),1_pInt) > 0_pInt
-           restartWrite = (IO_lc(IO_StringValue(line,positions,i)) == 'write') .or. restartWrite
+           restartRead  = iand(IO_intValue(line,positions,1),2_pInt) > 0_pInt
-           restartRead  = (IO_lc(IO_StringValue(line,positions,i)) == 'read')  .or. restartRead
+         case ('*restart')
-         enddo
-         if(restartWrite) then
            do i=2,positions(1)
-             restartWrite = (IO_lc(IO_StringValue(line,positions,i)) /= 'frequency=0') .and. restartWrite
+             restartWrite = (IO_lc(IO_StringValue(line,positions,i)) == 'write') .or. restartWrite
+             restartRead  = (IO_lc(IO_StringValue(line,positions,i)) == 'read')  .or. restartRead
            enddo
-         endif
+           if(restartWrite) then
-     end select
+             do i=2,positions(1)
-   enddo
+               restartWrite = (IO_lc(IO_StringValue(line,positions,i)) /= 'frequency=0') .and. restartWrite
+             enddo
+           endif
+       end select
+     enddo
+   endif
  else
    call IO_error(101) ! cannot open input file
  endif
-
+ 100 close(fileunit)
-100 close(fileunit)
  
  if (restartRead) then
    if(FEsolver == 'Marc' .and. IO_open_logFile(fileunit)) then

code/IO.f90

@@ -1171,7 +1171,7 @@ endfunction
  case (101)
    msg = 'opening input file'
  case (102)
-   msg = 'DAMASK_spectral misses arguments'
+   msg = 'DAMASK_spectral has wrong number of arguments'
  case (103)
    msg = 'odd resolution given'
  case (104)

code/makefile

@@ -19,8 +19,8 @@
 # OPENMP = TRUE (FALSE): OpenMP multiprocessor support
 # ACMLPATH =/opt/acml4.4.0/ifort64/lib (...) Path to ACML Library, choose according to your system
 # ACMLPATH =/opt/acml4.4.0/ifort64_mp/lib (...) Path to ACML Library with multicore support, choose according to your system
-# FFTWOPTIONS =include/libfftw3.a include/libfftw3_threads.a -lpthread (...) Path to FFTW library files with Linux threads (multicore) support
+# FFTWOPTIONS =./../lib/libfftw3.a include/libfftw3_threads.a -lpthread (...) Path to FFTW library files with Linux threads (multicore) support
-# FFTWOPTIONS =include/libfftw3.a (...) Path to FFTW library files without Linux threads (multicore) support
+# FFTWOPTIONS =./../lib/libfftw3.a (...) Path to FFTW library files without Linux threads (multicore) support
 # FFTWOPTIONS is different for single and double precision. Choose the options to use OpenMP instead of pthreads support or change the directory
 # PREFIX: specify an arbitrary prefix
 # SUFFIX: specify an arbitrary suffix
@@ -75,9 +75,9 @@ ACMLPATH =/opt/acml4.4.0/ifort64_mp/lib
 endif
 ifndef FFTWOPTIONS
 ifeq ($(PRECISION),single)
-FFTWOPTIONS =include/libfftw3f_threads.a include/libfftw3f.a -lpthread
+FFTWOPTIONS =./../lib/libfftw3f_threads.a ./../lib/libfftw3f.a -lpthread
 else
-FFTWOPTIONS =include/libfftw3_threads.a include/libfftw3.a -lpthread
+FFTWOPTIONS =./../lib/libfftw3_threads.a ./../lib/libfftw3.a -lpthread
 endif
 endif
 BLAS_ifort =-L $(ACMLPATH) -lacml_mp
@@ -88,9 +88,9 @@ ACMLPATH =/opt/acml4.4.0/ifort64/lib
 endif
 ifndef FFTWOPTIONS
 ifeq ($(PRECISION),single)
-FFTWOPTIONS =include/libfftw3f.a
+FFTWOPTIONS =./../lib/libfftw3f.a
 else
-FFTWOPTIONS =include/libfftw3.a
+FFTWOPTIONS =./../lib/libfftw3.a
 endif
 endif
 BLAS_ifort =-L $(ACMLPATH) -lacml