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DAMASK_EICMD
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Merge branch 'development' into 36-include-hdf5-routines

This commit is contained in:
Martin Diehl 2018-08-20 17:35:32 +02:00
parent 85358bae1b 7c683d4f3d
commit 29cd8fa5e2
27 changed files with 914 additions and 1547 deletions
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3
.gitlab-ci.yml
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@ -419,6 +419,9 @@ createTar:
script: script:
- cd $(mktemp -d) - cd $(mktemp -d)
- $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA - $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA
except:
- master
- release
################################################################################################### ###################################################################################################
AbaqusStd: AbaqusStd:

2
PRIVATE

@ -1 +1 @@
Subproject commit 737427a967e098e1cc82f69f5447fd1a02ffa855 Subproject commit c4471725893e301044924eb0990e2ad619aa0a46

2
VERSION
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@ -1 +1 @@
v2.0.2-261-gbc3f6ae9 v2.0.2-381-gc03ea8f5

2
env/DAMASK.csh vendored
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@ -20,6 +20,8 @@ endif
# currently, there is no information that unlimited causes problems # currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it # still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# more info https://jblevins.org/log/segfault
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
limit datasize unlimited # maximum heap size (kB) limit datasize unlimited # maximum heap size (kB)
limit stacksize unlimited # maximum stack size (kB) limit stacksize unlimited # maximum stack size (kB)

2
env/DAMASK.sh vendored
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@ -43,6 +43,8 @@ PROCESSING=$(type -p postResults || true 2>/dev/null)
# currently, there is no information that unlimited causes problems # currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it # still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# more info https://jblevins.org/log/segfault
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d unlimited 2>/dev/null # maximum heap size (kB) ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null # maximum stack size (kB) ulimit -s unlimited 2>/dev/null # maximum stack size (kB)

2
env/DAMASK.zsh vendored
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@ -34,6 +34,8 @@ PROCESSING=$(which postResults || true 2>/dev/null)
# currently, there is no information that unlimited causes problems # currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it # still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# more info https://jblevins.org/log/segfault
# https://stackoverflow.com/questions/79923/what-and-where-are-the-stack-and-heap
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d unlimited 2>/dev/null # maximum heap size (kB) ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null # maximum stack size (kB) ulimit -s unlimited 2>/dev/null # maximum stack size (kB)

4
examples/SpectralMethod/EshelbyInclusion/material.config
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@ -38,7 +38,7 @@ plasticity none
[Ti matrix] [Ti matrix]
lattice_structure hex lattice_structure hex
covera_ratio 1.587 c/a 1.587
plasticity none plasticity none
{config/elastic_Ti.config} {config/elastic_Ti.config}
{config/thermal.config} {config/thermal.config}
@ -65,7 +65,7 @@ plasticity none
[Ti inclusion] [Ti inclusion]
lattice_structure hex lattice_structure hex
covera_ratio 1.587 c/a 1.587
plasticity none plasticity none
{config/elastic_Ti.config} {config/elastic_Ti.config}
{config/thermal.config} {config/thermal.config}

2
lib/damask/__init__.py
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@ -6,6 +6,8 @@ import os
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f: with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
version = f.readline()[:-1] version = f.readline()[:-1]
name = 'damask'
from .environment import Environment # noqa from .environment import Environment # noqa
from .asciitable import ASCIItable # noqa from .asciitable import ASCIItable # noqa

11
lib/damask/config/material.py
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@ -279,3 +279,14 @@ class Material():
print('Length of value was changed from %i to %i!'%(oldlen,newlen)) print('Length of value was changed from %i to %i!'%(oldlen,newlen))
def add_value(self, part=None,
section=None,
key=None,
value=None):
if not isinstance(value,list):
if not isinstance(value,str):
value = '%s'%value
value = [value]
print('adding %s:%s:%s with value %s '%(part.lower(),section.lower(),key.lower(),value))
self.data[part.lower()][section.lower()][key.lower()] = value
self.data[part.lower()][section.lower()]['__order__'] += [key.lower()]

58
src/DAMASK_abaqus.f
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@ -3,20 +3,12 @@
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Koen Janssens, Paul Scherrer Institut !> @author Koen Janssens, Paul Scherrer Institut
!> @author Arun Prakash, Fraunhofer IWM !> @author Arun Prakash, Fraunhofer IWM
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief interfaces DAMASK with Abaqus/Standard !> @brief interfaces DAMASK with Abaqus/Standard
!> @details put the included file abaqus_v6.env in either your home or model directory, !> @details put the included file abaqus_v6.env in either your home or model directory,
!> it is a minimum Abaqus environment file containing all changes necessary to use the !> it is a minimum Abaqus environment file containing all changes necessary to use the
!> DAMASK subroutine (see Abaqus documentation for more information on the use of abaqus_v6.env) !> DAMASK subroutine (see Abaqus documentation for more information on the use of abaqus_v6.env)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#ifndef INT
#define INT 4
#endif
#ifndef FLOAT
#define FLOAT 8
#endif
#define Abaqus #define Abaqus
#include "prec.f90" #include "prec.f90"
@ -24,17 +16,29 @@
module DAMASK_interface module DAMASK_interface
implicit none implicit none
character(len=4), dimension(2), parameter :: INPUTFILEEXTENSION = ['.pes','.inp'] private
character(len=4), parameter :: LOGFILEEXTENSION = '.log' character(len=4), dimension(2), parameter, public :: INPUTFILEEXTENSION = ['.pes','.inp']
character(len=4), parameter, public :: LOGFILEEXTENSION = '.log'
public :: &
DAMASK_interface_init, &
getSolverJobName
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief just reporting !> @brief reports and sets working directory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init subroutine DAMASK_interface_init
use ifport, only: &
CHDIR
implicit none
integer, dimension(8) :: & integer, dimension(8) :: &
dateAndTime ! type default integer dateAndTime ! type default integer
integer :: lenOutDir,ierr
character(len=256) :: wd
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
@ -46,26 +50,19 @@ subroutine DAMASK_interface_init
dateAndTime(6),':',& dateAndTime(6),':',&
dateAndTime(7) dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
call getoutdir(wd, lenOutDir)
ierr = CHDIR(wd)
if (ierr /= 0) then
write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist'
call quit(1)
endif
#include "compilation_info.f90" #include "compilation_info.f90"
end subroutine DAMASK_interface_init end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief using Abaqus/Standard function to get working directory name
!--------------------------------------------------------------------------------------------------
character(1024) function getSolverWorkingDirectoryName()
implicit none
integer :: lenOutDir
getSolverWorkingDirectoryName=''
call getoutdir(getSolverWorkingDirectoryName, lenOutDir)
getSolverWorkingDirectoryName=trim(getSolverWorkingDirectoryName)//'/'
end function getSolverWorkingDirectoryName
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief using Abaqus/Standard function to get solver job name !> @brief using Abaqus/Standard function to get solver job name
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -79,10 +76,17 @@ character(1024) function getSolverJobName()
end function getSolverJobName end function getSolverJobName
end module DAMASK_interface end module DAMASK_interface
#include "commercialFEM_fileList.f90" #include "commercialFEM_fileList.f90"
!--------------------------------------------------------------------------------------------------
!> @brief This is the Abaqus std user subroutine for defining material behavior
!--------------------------------------------------------------------------------------------------
subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,& subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
RPL,DDSDDT,DRPLDE,DRPLDT,STRAN,DSTRAN,& RPL,DDSDDT,DRPLDE,DRPLDT,STRAN,DSTRAN,&
TIME,DTIME,TEMP,DTEMP,PREDEF,DPRED,CMNAME,NDI,NSHR,NTENS,& TIME,DTIME,TEMP,DTEMP,PREDEF,DPRED,CMNAME,NDI,NSHR,NTENS,&

76
src/DAMASK_marc.f90
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@ -1,15 +1,3 @@
#define QUOTE(x) #x
#define PASTE(x,y) x ## y
#ifndef INT
#define INT 4
#endif
#ifndef FLOAT
#define FLOAT 8
#endif
#include "prec.f90"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
@ -17,13 +5,12 @@
!> @author W.A. Counts !> @author W.A. Counts
!> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH !> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Material subroutine for MSC.Marc !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfaces DAMASK with MSC.Marc
!> @details Usage: !> @details Usage:
!> @details - choose material as hypela2 !> @details - choose material as hypela2
!> @details - set statevariable 2 to index of homogenization !> @details - set statevariable 2 to index of homogenization
!> @details - set statevariable 3 to index of microstructure !> @details - set statevariable 3 to index of microstructure
!> @details - make sure the file "material.config" exists in the working directory
!> @details - make sure the file "numerics.config" exists in the working directory
!> @details - use nonsymmetric option for solver (e.g. direct profile or multifrontal sparse, the latter seems to be faster!) !> @details - use nonsymmetric option for solver (e.g. direct profile or multifrontal sparse, the latter seems to be faster!)
!> @details - in case of ddm (domain decomposition) a SYMMETRIC solver has to be used, i.e uncheck "non-symmetric" !> @details - in case of ddm (domain decomposition) a SYMMETRIC solver has to be used, i.e uncheck "non-symmetric"
!> @details Marc subroutines used: !> @details Marc subroutines used:
@ -34,23 +21,36 @@
!> @details - concom: lovl, inc !> @details - concom: lovl, inc
!> @details - creeps: timinc !> @details - creeps: timinc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#define QUOTE(x) #x
#define PASTE(x,y) x ## y
#include "prec.f90"
module DAMASK_interface module DAMASK_interface
implicit none implicit none
character(len=4), parameter :: InputFileExtension = '.dat' private
character(len=4), parameter :: LogFileExtension = '.log' character(len=4), parameter, public :: InputFileExtension = '.dat'
character(len=4), parameter, public :: LogFileExtension = '.log'
public :: &
DAMASK_interface_init, &
getSolverJobName
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief only output of current version !> @brief reports and sets working directory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init subroutine DAMASK_interface_init
use ifport, only: &
CHDIR
implicit none implicit none
integer, dimension(8) :: & integer, dimension(8) :: &
dateAndTime ! type default integer dateAndTime ! type default integer
integer :: ierr
character(len=1024) :: wd
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_Marc -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_Marc -+>>>'
@ -64,27 +64,17 @@ subroutine DAMASK_interface_init
dateAndTime(7) dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90" #include "compilation_info.f90"
inquire(5, name=wd) ! determine inputputfile
wd = wd(1:scan(wd,'/',back=.true.))
ierr = CHDIR(wd)
if (ierr /= 0) then
write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist'
call quit(1)
endif
end subroutine DAMASK_interface_init end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the current workingDir
!--------------------------------------------------------------------------------------------------
function getSolverWorkingDirectoryName()
implicit none
character(1024) getSolverWorkingDirectoryName, inputName
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
getSolverWorkingDirectoryName=''
inputName=''
inquire(5, name=inputName) ! determine inputputfile
getSolverWorkingDirectoryName=inputName(1:scan(inputName,pathSep,back=.true.))
end function getSolverWorkingDirectoryName
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name !> @brief solver job name (no extension) as combination of geometry and load case name
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -109,6 +99,9 @@ end function getSolverJobName
end module DAMASK_interface end module DAMASK_interface
#include "commercialFEM_fileList.f90" #include "commercialFEM_fileList.f90"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -118,17 +111,6 @@ end module DAMASK_interface
!> @details !> @details
!> @details (2) Use the -> 'Plasticity,3' card(=update+finite+large disp+constant d) !> @details (2) Use the -> 'Plasticity,3' card(=update+finite+large disp+constant d)
!> @details in the parameter section of input deck (updated Lagrangian formulation). !> @details in the parameter section of input deck (updated Lagrangian formulation).
!> @details
!> @details The following operation obtains U (stretch tensor) at t=n+1 :
!> @details
!> @details call scla(un1,0.d0,itel,itel,1)
!> @details do k=1,3
!> @details do i=1,3
!> @details do j=1,3
!> @details un1(i,j)=un1(i,j)+dsqrt(strechn1(k))*eigvn1(i,k)*eigvn1(j,k)
!> @details enddo
!> @details enddo
!> @details enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, & subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
dispt,coord,ffn,frotn,strechn,eigvn,ffn1,frotn1, & dispt,coord,ffn,frotn,strechn,eigvn,ffn1,frotn1, &

19
src/DAMASK_spectral.f90
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@ -20,11 +20,12 @@ program DAMASK_spectral
pReal, & pReal, &
tol_math_check, & tol_math_check, &
dNeq dNeq
use system_routines, only: &
getCWD
use DAMASK_interface, only: & use DAMASK_interface, only: &
DAMASK_interface_init, & DAMASK_interface_init, &
loadCaseFile, & loadCaseFile, &
geometryFile, & geometryFile, &
getSolverWorkingDirectoryName, &
getSolverJobName, & getSolverJobName, &
appendToOutFile appendToOutFile
use IO, only: & use IO, only: &
@ -133,7 +134,9 @@ program DAMASK_spectral
lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written lastRestartWritten = 0_pInt, & !< total increment # at which last restart information was written
stagIter stagIter
character(len=6) :: loadcase_string character(len=6) :: loadcase_string
character(len=1024) :: incInfo !< string parsed to solution with information about current load case character(len=1024) :: &
incInfo, & !< string parsed to solution with information about current load case
workingDir
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState), allocatable, dimension(:) :: solres type(tSolutionState), allocatable, dimension(:) :: solres
integer(MPI_OFFSET_KIND) :: fileOffset integer(MPI_OFFSET_KIND) :: fileOffset
@ -381,10 +384,11 @@ program DAMASK_spectral
! write header of output file ! write header of output file
if (worldrank == 0) then if (worldrank == 0) then
if (.not. appendToOutFile) then ! after restart, append to existing results file if (.not. appendToOutFile) then ! after restart, append to existing results file
open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//& if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir))
open(newunit=resUnit,file=trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED',status='REPLACE') '.spectralOut',form='UNFORMATTED',status='REPLACE')
write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header write(resUnit) 'load:', trim(loadCaseFile) ! ... and write header
write(resUnit) 'workingdir:', trim(getSolverWorkingDirectoryName()) write(resUnit) 'workingdir:', trim(workingDir)
write(resUnit) 'geometry:', trim(geometryFile) write(resUnit) 'geometry:', trim(geometryFile)
write(resUnit) 'grid:', grid write(resUnit) 'grid:', grid
write(resUnit) 'size:', geomSize write(resUnit) 'size:', geomSize
@ -397,14 +401,14 @@ program DAMASK_spectral
write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc write(resUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
write(resUnit) 'eoh' write(resUnit) 'eoh'
close(resUnit) ! end of header close(resUnit) ! end of header
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//& open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED',status='REPLACE') '.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) & if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
write(6,'(/,a)') ' header of result and statistics file written out' write(6,'(/,a)') ' header of result and statistics file written out'
flush(6) flush(6)
else ! open new files ... else ! open new files ...
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//& open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD') '.sta',form='FORMATTED', position='APPEND', status='OLD')
endif endif
endif endif
@ -415,8 +419,7 @@ program DAMASK_spectral
outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND) outputSize(worldrank+1) = size(materialpoint_results,kind=MPI_OFFSET_KIND)*int(pReal,MPI_OFFSET_KIND)
call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process call MPI_allreduce(MPI_IN_PLACE,outputSize,worldsize,MPI_LONG,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce') if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_allreduce')
call MPI_file_open(PETSC_COMM_WORLD, & call MPI_file_open(PETSC_COMM_WORLD, trim(getSolverJobName())//'.spectralOut', &
trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut', &
MPI_MODE_WRONLY + MPI_MODE_APPEND, & MPI_MODE_WRONLY + MPI_MODE_APPEND, &
MPI_INFO_NULL, & MPI_INFO_NULL, &
resUnit, & resUnit, &

63
src/IO.f90
View File

@ -195,18 +195,14 @@ end subroutine IO_checkAndRewind
!> @details like IO_open_file_stat, but error is handled via call to IO_error and not via return !> @details like IO_open_file_stat, but error is handled via call to IO_error and not via return
!! value !! value
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_open_file(fileUnit,relPath) subroutine IO_open_file(fileUnit,path)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none implicit none
integer(pInt), intent(in) :: fileUnit !< file unit integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: relPath !< relative path from working directory character(len=*), intent(in) :: path !< relative path from working directory
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//relPath
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
@ -218,18 +214,14 @@ end subroutine IO_open_file
!! directory !! directory
!> @details Like IO_open_file, but error is handled via return value and not via call to IO_error !> @details Like IO_open_file, but error is handled via return value and not via call to IO_error
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function IO_open_file_stat(fileUnit,relPath) logical function IO_open_file_stat(fileUnit,path)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none implicit none
integer(pInt), intent(in) :: fileUnit !< file unit integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: relPath !< relative path from working directory character(len=*), intent(in) :: path !< relative path from working directory
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//relPath
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
IO_open_file_stat = (myStat == 0_pInt) IO_open_file_stat = (myStat == 0_pInt)
@ -244,7 +236,6 @@ end function IO_open_file_stat
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_open_jobFile(fileUnit,ext) subroutine IO_open_jobFile(fileUnit,ext)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName getSolverJobName
implicit none implicit none
@ -254,7 +245,7 @@ subroutine IO_open_jobFile(fileUnit,ext)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext path = trim(getSolverJobName())//'.'//ext
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
@ -269,7 +260,6 @@ end subroutine IO_open_jobFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function IO_open_jobFile_stat(fileUnit,ext) logical function IO_open_jobFile_stat(fileUnit,ext)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName getSolverJobName
implicit none implicit none
@ -279,7 +269,7 @@ logical function IO_open_jobFile_stat(fileUnit,ext)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext path = trim(getSolverJobName())//'.'//ext
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
IO_open_jobFile_stat = (myStat == 0_pInt) IO_open_jobFile_stat = (myStat == 0_pInt)
@ -292,7 +282,6 @@ end function IO_open_JobFile_stat
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_open_inputFile(fileUnit,modelName) subroutine IO_open_inputFile(fileUnit,modelName)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName,&
getSolverJobName, & getSolverJobName, &
inputFileExtension inputFileExtension
@ -306,23 +295,23 @@ subroutine IO_open_inputFile(fileUnit,modelName)
integer(pInt) :: fileType integer(pInt) :: fileType
fileType = 1_pInt ! assume .pes fileType = 1_pInt ! assume .pes
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used path = trim(modelName)//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
open(fileUnit+1,status='old',iostat=myStat,file=path) open(fileUnit+1,status='old',iostat=myStat,file=path)
if(myStat /= 0_pInt) then ! if .pes does not work / exist; use conventional extension, i.e.".inp" if(myStat /= 0_pInt) then ! if .pes does not work / exist; use conventional extension, i.e.".inp"
fileType = 2_pInt fileType = 2_pInt
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType) path = trim(modelName)//inputFileExtension(fileType)
open(fileUnit+1,status='old',iostat=myStat,file=path) open(fileUnit+1,status='old',iostat=myStat,file=path)
endif endif
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType)//'_assembly' path = trim(modelName)//inputFileExtension(fileType)//'_assembly'
open(fileUnit,iostat=myStat,file=path) open(fileUnit,iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
if (.not.abaqus_assembleInputFile(fileUnit,fileUnit+1_pInt)) call IO_error(103_pInt) ! strip comments and concatenate any "include"s if (.not.abaqus_assembleInputFile(fileUnit,fileUnit+1_pInt)) call IO_error(103_pInt) ! strip comments and concatenate any "include"s
close(fileUnit+1_pInt) close(fileUnit+1_pInt)
#endif #endif
#ifdef Marc4DAMASK #ifdef Marc4DAMASK
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension path = trim(modelName)//inputFileExtension
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
#endif #endif
@ -336,7 +325,6 @@ end subroutine IO_open_inputFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_open_logFile(fileUnit) subroutine IO_open_logFile(fileUnit)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName, & getSolverJobName, &
LogFileExtension LogFileExtension
@ -346,7 +334,7 @@ subroutine IO_open_logFile(fileUnit)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//LogFileExtension path = trim(getSolverJobName())//LogFileExtension
open(fileUnit,status='old',iostat=myStat,file=path) open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
@ -360,7 +348,6 @@ end subroutine IO_open_logFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_write_jobFile(fileUnit,ext) subroutine IO_write_jobFile(fileUnit,ext)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName getSolverJobName
implicit none implicit none
@ -370,7 +357,7 @@ subroutine IO_write_jobFile(fileUnit,ext)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext path = trim(getSolverJobName())//'.'//ext
open(fileUnit,status='replace',iostat=myStat,file=path) open(fileUnit,status='replace',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path) if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
@ -383,7 +370,6 @@ end subroutine IO_write_jobFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_write_jobRealFile(fileUnit,ext,recMultiplier) subroutine IO_write_jobRealFile(fileUnit,ext,recMultiplier)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName getSolverJobName
implicit none implicit none
@ -394,7 +380,7 @@ subroutine IO_write_jobRealFile(fileUnit,ext,recMultiplier)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext path = trim(getSolverJobName())//'.'//ext
if (present(recMultiplier)) then if (present(recMultiplier)) then
open(fileUnit,status='replace',form='unformatted',access='direct', & open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pReal*recMultiplier,iostat=myStat,file=path) recl=pReal*recMultiplier,iostat=myStat,file=path)
@ -414,7 +400,6 @@ end subroutine IO_write_jobRealFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_write_jobIntFile(fileUnit,ext,recMultiplier) subroutine IO_write_jobIntFile(fileUnit,ext,recMultiplier)
use DAMASK_interface, only: & use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName getSolverJobName
implicit none implicit none
@ -425,7 +410,7 @@ subroutine IO_write_jobIntFile(fileUnit,ext,recMultiplier)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext path = trim(getSolverJobName())//'.'//ext
if (present(recMultiplier)) then if (present(recMultiplier)) then
open(fileUnit,status='replace',form='unformatted',access='direct', & open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pInt*recMultiplier,iostat=myStat,file=path) recl=pInt*recMultiplier,iostat=myStat,file=path)
@ -444,8 +429,6 @@ end subroutine IO_write_jobIntFile
!! located in current working directory !! located in current working directory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_read_realFile(fileUnit,ext,modelName,recMultiplier) subroutine IO_read_realFile(fileUnit,ext,modelName,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none implicit none
integer(pInt), intent(in) :: fileUnit !< file unit integer(pInt), intent(in) :: fileUnit !< file unit
@ -456,7 +439,7 @@ subroutine IO_read_realFile(fileUnit,ext,modelName,recMultiplier)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//'.'//ext path = trim(modelName)//'.'//ext
if (present(recMultiplier)) then if (present(recMultiplier)) then
open(fileUnit,status='old',form='unformatted',access='direct', & open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pReal*recMultiplier,iostat=myStat,file=path) recl=pReal*recMultiplier,iostat=myStat,file=path)
@ -474,8 +457,6 @@ end subroutine IO_read_realFile
!! located in current working directory !! located in current working directory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_read_intFile(fileUnit,ext,modelName,recMultiplier) subroutine IO_read_intFile(fileUnit,ext,modelName,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none implicit none
integer(pInt), intent(in) :: fileUnit !< file unit integer(pInt), intent(in) :: fileUnit !< file unit
@ -486,7 +467,7 @@ subroutine IO_read_intFile(fileUnit,ext,modelName,recMultiplier)
integer(pInt) :: myStat integer(pInt) :: myStat
character(len=1024) :: path character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//'.'//ext path = trim(modelName)//'.'//ext
if (present(recMultiplier)) then if (present(recMultiplier)) then
open(fileUnit,status='old',form='unformatted',access='direct', & open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pInt*recMultiplier,iostat=myStat,file=path) recl=pInt*recMultiplier,iostat=myStat,file=path)
@ -1007,11 +988,7 @@ function IO_stringValue(string,chunkPos,myChunk,silent)
logical :: warn logical :: warn
if (.not. present(silent)) then warn = merge(silent,.false.,present(silent))
warn = .false.
else
warn = silent
endif
IO_stringValue = '' IO_stringValue = ''
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
@ -1534,6 +1511,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = '{input} recursion limit reached' msg = '{input} recursion limit reached'
case (105_pInt) case (105_pInt)
msg = 'unknown output:' msg = 'unknown output:'
case (106_pInt)
msg = 'working directory does not exist:'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! lattice error messages ! lattice error messages
@ -1905,8 +1884,6 @@ end function IO_verifyFloatValue
!> including "include"s !> including "include"s
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess) recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none implicit none
integer(pInt), intent(in) :: unit1, & integer(pInt), intent(in) :: unit1, &
@ -1923,7 +1900,7 @@ recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if (IO_lc(IO_StringValue(line,chunkPos,1_pInt))=='*include') then if (IO_lc(IO_StringValue(line,chunkPos,1_pInt))=='*include') then
fname = trim(getSolverWorkingDirectoryName())//trim(line(9+scan(line(9:),'='):)) fname = trim(line(9+scan(line(9:),'='):))
inquire(file=fname, exist=fexist) inquire(file=fname, exist=fexist)
if (.not.(fexist)) then if (.not.(fexist)) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)

17
src/constitutive.f90
View File

@ -160,7 +160,7 @@ subroutine constitutive_init()
! parse plasticities from config file ! parse plasticities from config file
if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT)
@ -864,19 +864,11 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
FpArray !< plastic deformation gradient FpArray !< plastic deformation gradient
real(pReal), intent(in), dimension(6) :: & real(pReal), intent(in), dimension(6) :: &
Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel) Tstar_v !< 2nd Piola Kirchhoff stress tensor (Mandel)
integer(pLongInt) :: &
tick = 0_pLongInt, &
tock = 0_pLongInt, &
tickrate, &
maxticks
integer(pInt) :: & integer(pInt) :: &
ho, & !< homogenization ho, & !< homogenization
tme, & !< thermal member position tme, & !< thermal member position
s !< counter in source loop s !< counter in source loop
if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) &
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
ho = material_homog( ip,el) ho = material_homog( ip,el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
@ -957,13 +949,6 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el)
Fe !< elastic deformation gradient Fe !< elastic deformation gradient
integer(pInt) :: & integer(pInt) :: &
s !< counter in source loop s !< counter in source loop
integer(pLongInt) :: &
tick, tock, &
tickrate, &
maxticks
if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) &
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_KINEHARDENING_ID) plasticityType case (PLASTICITY_KINEHARDENING_ID) plasticityType

8
src/crystallite.f90
View File

@ -494,7 +494,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
subStepMinCryst, & subStepMinCryst, &
subStepSizeCryst, & subStepSizeCryst, &
stepIncreaseCryst, & stepIncreaseCryst, &
nCryst, &
numerics_integrator, & numerics_integrator, &
numerics_integrationMode, & numerics_integrationMode, &
numerics_timeSyncing numerics_timeSyncing
@ -1215,8 +1214,6 @@ end subroutine crystallite_stressAndItsTangent
subroutine crystallite_integrateStateRK4() subroutine crystallite_integrateStateRK4()
use, intrinsic :: & use, intrinsic :: &
IEEE_arithmetic IEEE_arithmetic
use numerics, only: &
numerics_integrationMode
use debug, only: & use debug, only: &
#ifdef DEBUG #ifdef DEBUG
debug_e, & debug_e, &
@ -1517,8 +1514,7 @@ subroutine crystallite_integrateStateRKCK45()
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective debug_levelSelective
use numerics, only: & use numerics, only: &
rTol_crystalliteState, & rTol_crystalliteState
numerics_integrationMode
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP
@ -2581,7 +2577,6 @@ subroutine crystallite_integrateStateFPI()
debug_levelSelective debug_levelSelective
use numerics, only: & use numerics, only: &
nState, & nState, &
numerics_integrationMode, &
rTol_crystalliteState rTol_crystalliteState
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
@ -3156,7 +3151,6 @@ logical function crystallite_integrateStress(&
aTol_crystalliteStress, & aTol_crystalliteStress, &
rTol_crystalliteStress, & rTol_crystalliteStress, &
iJacoLpresiduum, & iJacoLpresiduum, &
numerics_integrationMode, &
subStepSizeLp, & subStepSizeLp, &
subStepSizeLi subStepSizeLi
use debug, only: debug_level, & use debug, only: debug_level, &

3
src/debug.f90
View File

@ -283,11 +283,8 @@ end subroutine debug_reset
subroutine debug_info subroutine debug_info
implicit none implicit none
character(len=1) :: exceed
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 & debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 &
.and. any(debug_stressMinLocation /= 0_pInt) & .and. any(debug_stressMinLocation /= 0_pInt) &
.and. any(debug_stressMaxLocation /= 0_pInt) ) then .and. any(debug_stressMaxLocation /= 0_pInt) ) then

1
src/homogenization.f90
View File

@ -494,7 +494,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
subStepMinHomog, & subStepMinHomog, &
subStepSizeHomog, & subStepSizeHomog, &
stepIncreaseHomog, & stepIncreaseHomog, &
nHomog, &
nMPstate nMPstate
use math, only: & use math, only: &
math_transpose33 math_transpose33

479
src/lattice.f90
View File

@ -16,7 +16,7 @@ module lattice
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures LATTICE_maxNtransFamily = 1_pInt, & !< max # of transformation system families over lattice structures
LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
integer(pInt), allocatable, dimension(:,:), protected, public :: & integer(pInt), allocatable, dimension(:,:), protected, public :: &
@ -82,17 +82,17 @@ module lattice
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< # of transformation systems per family for fcc LATTICE_fcc_NtransSystem = int([12],pInt) !< # of transformation systems per family for fcc
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_fcc_Nslip = 12_pInt, & !sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc LATTICE_fcc_Nslip = sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
LATTICE_fcc_Ntwin = 12_pInt, & !sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc LATTICE_fcc_Ntwin = sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
LATTICE_fcc_Ntrans = 12_pInt, & !sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc LATTICE_fcc_Ntrans = sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
LATTICE_fcc_Ncleavage = 7_pInt !sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc LATTICE_fcc_Ncleavage = sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
LATTICE_fcc_systemSlip = reshape(real([& LATTICE_fcc_systemSlip = reshape(real([&
@ -365,17 +365,17 @@ module lattice
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bcc LATTICE_bcc_NtransSystem = int([0],pInt) !< # of transformation systems per family for bcc
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_bcc_NcleavageSystem = int([3, 6, 0],pInt) !< # of cleavage systems per family for bcc LATTICE_bcc_NcleavageSystem = int([3, 6, 0],pInt) !< # of cleavage systems per family for bcc
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_bcc_Nslip = 24_pInt, & !sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc LATTICE_bcc_Nslip = sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
LATTICE_bcc_Ntwin = 12_pInt, & !sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc LATTICE_bcc_Ntwin = sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012) LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
LATTICE_bcc_Ntrans = 0_pInt, & !sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc LATTICE_bcc_Ntrans = sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
LATTICE_bcc_Ncleavage = 9_pInt !sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc LATTICE_bcc_Ncleavage = sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
LATTICE_bcc_systemSlip = reshape(real([& LATTICE_bcc_systemSlip = reshape(real([&
@ -562,17 +562,17 @@ module lattice
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_hex_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for hex LATTICE_hex_NtransSystem = int([0],pInt) !< # of transformation systems per family for hex
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_hex_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for hex LATTICE_hex_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for hex
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_hex_Nslip = 33_pInt, & !sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex LATTICE_hex_Nslip = sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
LATTICE_hex_Ntwin = 24_pInt, & !sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex LATTICE_hex_Ntwin = sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
LATTICE_hex_Ntrans = 0_pInt, & !sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex LATTICE_hex_Ntrans = sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
LATTICE_hex_Ncleavage = 3_pInt !sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex LATTICE_hex_Ncleavage = sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: & real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
LATTICE_hex_systemSlip = reshape(real([& LATTICE_hex_systemSlip = reshape(real([&
@ -844,17 +844,17 @@ module lattice
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_bct_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bct LATTICE_bct_NtransSystem = int([0],pInt) !< # of transformation systems per family for bct
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_bct_NcleavageSystem = int([0, 0, 0],pInt) !< # of cleavage systems per family for bct LATTICE_bct_NcleavageSystem = int([0, 0, 0],pInt) !< # of cleavage systems per family for bct
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_bct_Nslip = 52_pInt, & !sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct LATTICE_bct_Nslip = sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
LATTICE_bct_Ntwin = 0_pInt, & !sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct LATTICE_bct_Ntwin = sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
LATTICE_bct_Ntrans = 0_pInt, & !sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct LATTICE_bct_Ntrans = sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
LATTICE_bct_Ncleavage = 0_pInt !sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct LATTICE_bct_Ncleavage = sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: & real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
LATTICE_bct_systemSlip = reshape(real([& LATTICE_bct_systemSlip = reshape(real([&
@ -1004,17 +1004,17 @@ module lattice
LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_iso_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for iso LATTICE_iso_NtransSystem = int([0],pInt) !< # of transformation systems per family for iso
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_iso_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for iso LATTICE_iso_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for iso
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_iso_Nslip = 0_pInt, & !sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso LATTICE_iso_Nslip = sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso
LATTICE_iso_Ntwin = 0_pInt, & !sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso LATTICE_iso_Ntwin = sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso
LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso
LATTICE_iso_Ntrans = 0_pInt, & !sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso LATTICE_iso_Ntrans = sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso
LATTICE_iso_Ncleavage = 3_pInt !sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso LATTICE_iso_Ncleavage = sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: & real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
LATTICE_iso_systemCleavage = reshape(real([& LATTICE_iso_systemCleavage = reshape(real([&
@ -1033,17 +1033,17 @@ module lattice
LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
LATTICE_ortho_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for ortho LATTICE_ortho_NtransSystem = int([0],pInt) !< # of transformation systems per family for ortho
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: & integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
LATTICE_ortho_NcleavageSystem = int([1, 1, 1],pInt) !< # of cleavage systems per family for ortho LATTICE_ortho_NcleavageSystem = int([1, 1, 1],pInt) !< # of cleavage systems per family for ortho
integer(pInt), parameter, private :: & integer(pInt), parameter, private :: &
LATTICE_ortho_Nslip = 0_pInt, & !sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho LATTICE_ortho_Nslip = sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho
LATTICE_ortho_Ntwin = 0_pInt, & !sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho LATTICE_ortho_Ntwin = sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho
LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho
LATTICE_ortho_Ntrans = 0_pInt, & !sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho LATTICE_ortho_Ntrans = sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho
LATTICE_ortho_Ncleavage = 3_pInt !sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho LATTICE_ortho_Ncleavage = sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: & real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
LATTICE_ortho_systemCleavage = reshape(real([& LATTICE_ortho_systemCleavage = reshape(real([&
@ -1054,25 +1054,44 @@ module lattice
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage]) ],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
LATTICE_maxNslip = 52_pInt, & LATTICE_maxNslip = max(LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip, &
!LATTICE_maxNslip = maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,\ LATTICE_bct_Nslip,LATTICE_iso_Nslip,LATTICE_ortho_Nslip), & !< max # of slip systems over lattice structures
! LATTICE_bct_Nslip,LATTICE_iso_Nslip,LATTICE_ortho_Nslip]), & !< max # of slip systems over lattice structures LATTICE_maxNtwin = max(LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin, &
LATTICE_maxNtwin = 24_pInt, & LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin), & !< max # of twin systems over lattice structures
!LATTICE_maxNtwin = maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin,\ LATTICE_maxNnonSchmid = max(LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid, &
! LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin]), & !< max # of twin systems over lattice structures LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid, &
LATTICE_maxNnonSchmid = 6_pInt, & LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid), & !< max # of non-Schmid contributions over lattice structures
!LATTICE_maxNtwin = maxval([LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid,\ LATTICE_maxNtrans = max(LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans, &
! LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid,\ LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans), & !< max # of transformation systems over lattice structures
! LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid]), & !< max # of non-Schmid contributions over lattice structures LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
LATTICE_maxNtrans = 12_pInt, & LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage, &
!LATTICE_maxNtrans = maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans,\ LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage), & !< max # of cleavage systems over lattice structures
! LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans]),&!< max # of transformation systems over lattice structures #if defined(__GFORTRAN__)
LATTICE_maxNcleavage = 9_pInt, & ! only supported in gcc 8
!LATTICE_maxNcleavage = maxval([LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage,\ LATTICE_maxNinteraction = 182_pInt
! LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage,\ #else
! LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage]) !< max # of cleavage systems over lattice structures LATTICE_maxNinteraction = max(&
LATTICE_maxNinteraction = 182_pInt !< max # of interaction types (in hardening matrix part) maxval(lattice_fcc_interactionSlipSlip), &
maxval(lattice_bcc_interactionSlipSlip), &
maxval(lattice_hex_interactionSlipSlip), &
maxval(lattice_bct_interactionSlipSlip), &
!
maxval(lattice_fcc_interactionSlipTwin), &
maxval(lattice_bcc_interactionSlipTwin), &
maxval(lattice_hex_interactionSlipTwin), &
!maxval(lattice_bct_interactionSlipTwin), &
!
maxval(lattice_fcc_interactionTwinSlip), &
maxval(lattice_bcc_interactionTwinSlip), &
maxval(lattice_hex_interactionTwinSlip), &
!maxval(lattice_bct_interactionTwinSlip), &
!
maxval(lattice_fcc_interactionTwinTwin), &
maxval(lattice_bcc_interactionTwinTwin), &
maxval(lattice_hex_interactionTwinTwin) &
!maxval(lattice_bct_interactionTwinTwin)))
) !< max # of interaction types (in hardening matrix part)
#endif
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66, lattice_trans_C66 lattice_C66, lattice_trans_C66
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
@ -1250,38 +1269,19 @@ subroutine lattice_init
compiler_options compiler_options
#endif #endif
use IO, only: & use IO, only: &
IO_open_file,&
IO_open_jobFile_stat, &
IO_countSections, &
IO_error, & IO_error, &
IO_timeStamp, & IO_timeStamp
IO_EOF, &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue
use config, only: & use config, only: &
material_configfile, & config_phase
material_localFileExt, &
material_partPhase
use debug, only: &
debug_level, &
debug_lattice, &
debug_levelBasic
implicit none implicit none
integer(pInt), parameter :: FILEUNIT = 200_pInt
integer(pInt) :: Nphases integer(pInt) :: Nphases
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = ''
line = '' integer(pInt) :: section = 0_pInt,i,p
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
CoverA, & !!!!!!< c/a ratio for low symmetry type lattice temp, &
CoverA, & !< c/a ratio for low symmetry type lattice
CoverA_trans, & !< c/a ratio for transformed hex type lattice CoverA_trans, & !< c/a ratio for transformed hex type lattice
a_fcc, & !< lattice parameter a for fcc austenite a_fcc, & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite a_bcc !< lattice paramater a for bcc martensite
@ -1290,90 +1290,7 @@ subroutine lattice_init
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
!-------------------------------------------------------------------------------------------------- Nphases = size(config_phase)
! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition)
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,LATTICE_bct_Nslip])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
if (LATTICE_maxNtwin /= maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin')
if (LATTICE_maxNtrans /= maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtrans')
if (LATTICE_maxNnonSchmid /= maxval([lattice_fcc_NnonSchmid,lattice_bcc_NnonSchmid,&
lattice_hex_NnonSchmid])) call IO_error(0_pInt,ext_msg = 'LATTICE_maxNnonSchmid')
if (LATTICE_fcc_Nslip /= sum(lattice_fcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Nslip')
if (LATTICE_bcc_Nslip /= sum(lattice_bcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Nslip')
if (LATTICE_hex_Nslip /= sum(lattice_hex_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Nslip')
if (LATTICE_bct_Nslip /= sum(lattice_bct_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Nslip')
if (LATTICE_fcc_Ntwin /= sum(lattice_fcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntwin')
if (LATTICE_bcc_Ntwin /= sum(lattice_bcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntwin')
if (LATTICE_hex_Ntwin /= sum(lattice_hex_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntwin')
if (LATTICE_bct_Ntwin /= sum(lattice_bct_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntwin')
if (LATTICE_fcc_Ntrans /= sum(lattice_fcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntrans')
if (LATTICE_bcc_Ntrans /= sum(lattice_bcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntrans')
if (LATTICE_hex_Ntrans /= sum(lattice_hex_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntrans')
if (LATTICE_bct_Ntrans /= sum(lattice_bct_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntrans')
if (LATTICE_fcc_Ncleavage /= sum(lattice_fcc_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ncleavage')
if (LATTICE_bcc_Ncleavage /= sum(lattice_bcc_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ncleavage')
if (LATTICE_hex_Ncleavage /= sum(lattice_hex_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ncleavage')
if (LATTICE_bct_Ncleavage /= sum(lattice_bct_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ncleavage')
if (LATTICE_iso_Ncleavage /= sum(lattice_iso_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_iso_Ncleavage')
if (LATTICE_maxNinteraction /= max(&
maxval(lattice_fcc_interactionSlipSlip), &
maxval(lattice_bcc_interactionSlipSlip), &
maxval(lattice_hex_interactionSlipSlip), &
maxval(lattice_bct_interactionSlipSlip), &
!
maxval(lattice_fcc_interactionSlipTwin), &
maxval(lattice_bcc_interactionSlipTwin), &
maxval(lattice_hex_interactionSlipTwin), &
! maxval(lattice_bct_interactionSlipTwin), &
!
maxval(lattice_fcc_interactionTwinSlip), &
maxval(lattice_bcc_interactionTwinSlip), &
maxval(lattice_hex_interactionTwinSlip), &
! maxval(lattice_bct_interactionTwinSlip), &
!
maxval(lattice_fcc_interactionTwinTwin), &
maxval(lattice_bcc_interactionTwinTwin), &
maxval(lattice_hex_interactionTwinTwin))) &
! maxval(lattice_bct_interactionTwinTwin))) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNinteraction')
!--------------------------------------------------------------------------------------------------
! read from material configuration file
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file
Nphases = IO_countSections(FILEUNIT,material_partPhase)
if(Nphases<1_pInt) &
call IO_error(160_pInt,Nphases, ext_msg='No phases found')
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
write(6,'(a16,1x,i5)') ' # phases:',Nphases
endif
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID) allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID) allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID)
@ -1450,177 +1367,99 @@ subroutine lattice_init
allocate(a_fcc(Nphases),source=0.0_pReal) allocate(a_fcc(Nphases),source=0.0_pReal)
allocate(a_bcc(Nphases),source=0.0_pReal) allocate(a_bcc(Nphases),source=0.0_pReal)
rewind(fileUnit) do p = 1, size(config_phase)
line = '' ! to have it initialized tag = config_phase(p)%getString('lattice_structure')
section = 0_pInt ! - " - select case(trim(tag))
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <Phase>
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF) ! read through sections of material part
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt
endif
if (section > 0_pInt) then
chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag)
case ('lattice_structure')
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
case('iso','isotropic') case('iso','isotropic')
lattice_structure(section) = LATTICE_iso_ID lattice_structure(p) = LATTICE_iso_ID
case('fcc') case('fcc')
lattice_structure(section) = LATTICE_fcc_ID lattice_structure(p) = LATTICE_fcc_ID
case('bcc') case('bcc')
lattice_structure(section) = LATTICE_bcc_ID lattice_structure(p) = LATTICE_bcc_ID
case('hex','hexagonal') case('hex','hexagonal')
lattice_structure(section) = LATTICE_hex_ID lattice_structure(p) = LATTICE_hex_ID
case('bct') case('bct')
lattice_structure(section) = LATTICE_bct_ID lattice_structure(p) = LATTICE_bct_ID
case('ort','orthorhombic') case('ort','orthorhombic')
lattice_structure(section) = LATTICE_ort_ID lattice_structure(p) = LATTICE_ort_ID
case default
call IO_error(130_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
end select end select
case('trans_lattice_structure')
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt)))) tag = 'undefined'
tag = config_phase(p)%getString('trans_lattice_structure',defaultVal=tag)
select case(trim(tag))
case('bcc') case('bcc')
trans_lattice_structure(section) = LATTICE_bcc_ID trans_lattice_structure(section) = LATTICE_bcc_ID
case('hex','hexagonal','hcp') case('hex','hexagonal')
trans_lattice_structure(section) = LATTICE_hex_ID trans_lattice_structure(section) = LATTICE_hex_ID
end select end select
case ('c11')
lattice_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
case ('c12') lattice_C66(1,2,p) = config_phase(p)%getFloat('c12',defaultVal=0.0_pReal)
lattice_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_C66(1,3,p) = config_phase(p)%getFloat('c13',defaultVal=0.0_pReal)
case ('c13') lattice_C66(2,2,p) = config_phase(p)%getFloat('c22',defaultVal=0.0_pReal)
lattice_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_C66(2,3,p) = config_phase(p)%getFloat('c23',defaultVal=0.0_pReal)
case ('c22') lattice_C66(3,3,p) = config_phase(p)%getFloat('c33',defaultVal=0.0_pReal)
lattice_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_C66(4,4,p) = config_phase(p)%getFloat('c44',defaultVal=0.0_pReal)
case ('c23') lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal)
lattice_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
case ('c33')
lattice_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_trans_C66(1,1,p) = config_phase(p)%getFloat('c11_trans',defaultVal=0.0_pReal)
case ('c44') lattice_trans_C66(1,2,p) = config_phase(p)%getFloat('c12_trans',defaultVal=0.0_pReal)
lattice_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_trans_C66(1,3,p) = config_phase(p)%getFloat('c13_trans',defaultVal=0.0_pReal)
case ('c55') lattice_trans_C66(2,2,p) = config_phase(p)%getFloat('c22_trans',defaultVal=0.0_pReal)
lattice_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_trans_C66(2,3,p) = config_phase(p)%getFloat('c23_trans',defaultVal=0.0_pReal)
case ('c66') lattice_trans_C66(3,3,p) = config_phase(p)%getFloat('c33_trans',defaultVal=0.0_pReal)
lattice_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_trans_C66(4,4,p) = config_phase(p)%getFloat('c44_trans',defaultVal=0.0_pReal)
case ('c11_trans') lattice_trans_C66(5,5,p) = config_phase(p)%getFloat('c55_trans',defaultVal=0.0_pReal)
lattice_trans_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_trans_C66(6,6,p) = config_phase(p)%getFloat('c66_trans',defaultVal=0.0_pReal)
case ('c12_trans')
lattice_trans_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt) CoverA(p) = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
case ('c13_trans') CoverA_trans(p) = config_phase(p)%getFloat('c/a_trans',defaultVal=0.0_pReal)
lattice_trans_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt) a_fcc(p) = config_phase(p)%getFloat('a_fcc',defaultVal=0.0_pReal)
case ('c22_trans') a_bcc(p) = config_phase(p)%getFloat('a_bcc',defaultVal=0.0_pReal)
lattice_trans_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('c23_trans') lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
lattice_trans_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
case ('c33_trans') lattice_thermalConductivity33(3,3,p) = config_phase(p)%getFloat('thermal_conductivity33',defaultVal=0.0_pReal)
lattice_trans_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('c44_trans') temp = config_phase(p)%getFloats('thermal_expansion11',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_trans_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_thermalExpansion33(1,1,1:size(temp),p) = temp
case ('c55_trans') temp = config_phase(p)%getFloats('thermal_expansion22',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_trans_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_thermalExpansion33(2,2,1:size(temp),p) = temp
case ('c66_trans') temp = config_phase(p)%getFloats('thermal_expansion33',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
lattice_trans_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_thermalExpansion33(3,3,1:size(temp),p) = temp
case ('covera_ratio','c/a_ratio','c/a')
CoverA(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_specificHeat(p) = config_phase(p)%getFloat( 'specific_heat',defaultVal=0.0_pReal)
case ('c/a_trans','c/a_martensite','c/a_mart') lattice_vacancyFormationEnergy(p) = config_phase(p)%getFloat( 'vacancyformationenergy',defaultVal=0.0_pReal)
CoverA_trans(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_vacancySurfaceEnergy(p) = config_phase(p)%getFloat( 'vacancyvolume',defaultVal=0.0_pReal)
case ('a_fcc') lattice_vacancyVol(p) = config_phase(p)%getFloat( 'vacancysurfaceenergy',defaultVal=0.0_pReal)
a_fcc(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_hydrogenFormationEnergy(p) = config_phase(p)%getFloat( 'hydrogenformationenergy',defaultVal=0.0_pReal)
case ('a_bcc') lattice_hydrogenSurfaceEnergy(p) = config_phase(p)%getFloat( 'hydrogensurfaceenergy',defaultVal=0.0_pReal)
a_bcc(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_hydrogenVol(p) = config_phase(p)%getFloat( 'hydrogenvolume',defaultVal=0.0_pReal)
case ('thermal_conductivity11') lattice_massDensity(p) = config_phase(p)%getFloat( 'mass_density',defaultVal=0.0_pReal)
lattice_thermalConductivity33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_referenceTemperature(p) = config_phase(p)%getFloat( 'reference_temperature',defaultVal=0.0_pReal)
case ('thermal_conductivity22') lattice_DamageDiffusion33(1,1,p) = config_phase(p)%getFloat( 'damage_diffusion11',defaultVal=0.0_pReal)
lattice_thermalConductivity33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_DamageDiffusion33(2,2,p) = config_phase(p)%getFloat( 'damage_diffusion22',defaultVal=0.0_pReal)
case ('thermal_conductivity33') lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
lattice_thermalConductivity33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt) lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
case ('thermal_expansion11') lattice_vacancyfluxDiffusion33(1,1,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion11',defaultVal=0.0_pReal)
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T) lattice_vacancyfluxDiffusion33(2,2,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion22',defaultVal=0.0_pReal)
lattice_thermalExpansion33(1,1,i-1_pInt,section) = IO_floatValue(line,chunkPos,i) lattice_vacancyfluxDiffusion33(3,3,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion33',defaultVal=0.0_pReal)
enddo lattice_vacancyfluxMobility33(1,1,p) = config_phase(p)%getFloat( 'vacancyflux_mobility11',defaultVal=0.0_pReal)
case ('thermal_expansion22') lattice_vacancyfluxMobility33(2,2,p) = config_phase(p)%getFloat( 'vacancyflux_mobility22',defaultVal=0.0_pReal)
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T) lattice_vacancyfluxMobility33(3,3,p) = config_phase(p)%getFloat( 'vacancyflux_mobility33',defaultVal=0.0_pReal)
lattice_thermalExpansion33(2,2,i-1_pInt,section) = IO_floatValue(line,chunkPos,i) lattice_PorosityDiffusion33(1,1,p) = config_phase(p)%getFloat( 'porosity_diffusion11',defaultVal=0.0_pReal)
enddo lattice_PorosityDiffusion33(2,2,p) = config_phase(p)%getFloat( 'porosity_diffusion22',defaultVal=0.0_pReal)
case ('thermal_expansion33') lattice_PorosityDiffusion33(3,3,p) = config_phase(p)%getFloat( 'porosity_diffusion33',defaultVal=0.0_pReal)
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T) lattice_PorosityMobility(p) = config_phase(p)%getFloat( 'porosity_mobility',defaultVal=0.0_pReal)
lattice_thermalExpansion33(3,3,i-1_pInt,section) = IO_floatValue(line,chunkPos,i) lattice_hydrogenfluxDiffusion33(1,1,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion11',defaultVal=0.0_pReal)
enddo lattice_hydrogenfluxDiffusion33(2,2,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion22',defaultVal=0.0_pReal)
case ('specific_heat') lattice_hydrogenfluxDiffusion33(3,3,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion33',defaultVal=0.0_pReal)
lattice_specificHeat(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_hydrogenfluxMobility33(1,1,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility11',defaultVal=0.0_pReal)
case ('vacancyformationenergy') lattice_hydrogenfluxMobility33(2,2,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility22',defaultVal=0.0_pReal)
lattice_vacancyFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_hydrogenfluxMobility33(3,3,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility33',defaultVal=0.0_pReal)
case ('vacancysurfaceenergy') lattice_equilibriumVacancyConcentration(p) = config_phase(p)%getFloat( 'vacancy_eqcv',defaultVal=0.0_pReal)
lattice_vacancySurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt) lattice_equilibriumHydrogenConcentration(p) = config_phase(p)%getFloat( 'hydrogen_eqch',defaultVal=0.0_pReal)
case ('vacancyvolume')
lattice_vacancyVol(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenformationenergy')
lattice_hydrogenFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogensurfaceenergy')
lattice_hydrogenSurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenvolume')
lattice_hydrogenVol(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('mass_density')
lattice_massDensity(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('reference_temperature')
lattice_referenceTemperature(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('damage_diffusion11')
lattice_DamageDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('damage_diffusion22')
lattice_DamageDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('damage_diffusion33')
lattice_DamageDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('damage_mobility')
lattice_DamageMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_diffusion11')
lattice_vacancyfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_diffusion22')
lattice_vacancyfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_diffusion33')
lattice_vacancyfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_mobility11')
lattice_vacancyfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_mobility22')
lattice_vacancyfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyflux_mobility33')
lattice_vacancyfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('porosity_diffusion11')
lattice_PorosityDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('porosity_diffusion22')
lattice_PorosityDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('porosity_diffusion33')
lattice_PorosityDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('porosity_mobility')
lattice_PorosityMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_diffusion11')
lattice_hydrogenfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_diffusion22')
lattice_hydrogenfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_diffusion33')
lattice_hydrogenfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_mobility11')
lattice_hydrogenfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_mobility22')
lattice_hydrogenfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenflux_mobility33')
lattice_hydrogenfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancy_eqcv')
lattice_equilibriumVacancyConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogen_eqch')
lattice_equilibriumHydrogenConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
end select
endif
enddo enddo
do i = 1_pInt,Nphases do i = 1_pInt,Nphases
@ -1631,8 +1470,6 @@ subroutine lattice_init
call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i)) call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i))
enddo enddo
deallocate(CoverA,CoverA_trans,a_fcc,a_bcc)
end subroutine lattice_init end subroutine lattice_init

8
src/material.f90
View File

@ -16,8 +16,8 @@ module material
tSourceState, & tSourceState, &
tHomogMapping, & tHomogMapping, &
tPhaseMapping, & tPhaseMapping, &
p_vec, & group_scalar, &
p_intvec group_int
implicit none implicit none
private private
@ -268,7 +268,7 @@ module material
porosityMapping, & !< mapping for porosity state/fields porosityMapping, & !< mapping for porosity state/fields
hydrogenfluxMapping !< mapping for hydrogen conc state/fields hydrogenfluxMapping !< mapping for hydrogen conc state/fields
type(p_vec), allocatable, dimension(:), public :: & type(group_scalar), allocatable, dimension(:), public :: &
temperature, & !< temperature field temperature, & !< temperature field
damage, & !< damage field damage, & !< damage field
vacancyConc, & !< vacancy conc field vacancyConc, & !< vacancy conc field
@ -1121,7 +1121,7 @@ subroutine material_populateGrains
grain,constituentGrain,ipGrain,symExtension, ip grain,constituentGrain,ipGrain,symExtension, ip
real(pReal) :: deviation,extreme,rnd real(pReal) :: deviation,extreme,rnd
integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
type(p_intvec), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array type(group_int), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
myDebug = debug_level(debug_material) myDebug = debug_level(debug_material)

3
src/math.f90
View File

@ -379,6 +379,9 @@ pure function math_expand(what,how)
real(pReal), dimension(sum(how)) :: math_expand real(pReal), dimension(sum(how)) :: math_expand
integer(pInt) :: i integer(pInt) :: i
if (sum(how) == 0_pInt) &
return
do i = 1_pInt, size(how) do i = 1_pInt, size(how)
math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt) math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
enddo enddo

5
src/numerics.f90
View File

@ -16,7 +16,6 @@ module numerics
integer(pInt), protected, public :: & integer(pInt), protected, public :: &
iJacoStiffness = 1_pInt, & !< frequency of stiffness update iJacoStiffness = 1_pInt, & !< frequency of stiffness update
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
nMPstate = 10_pInt, & !< materialpoint state loop limit nMPstate = 10_pInt, & !< materialpoint state loop limit
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst") nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState = 10_pInt, & !< state loop limit nState = 10_pInt, & !< state loop limit
@ -284,8 +283,6 @@ subroutine numerics_init
pert_Fg = IO_floatValue(line,chunkPos,2_pInt) pert_Fg = IO_floatValue(line,chunkPos,2_pInt)
case ('pert_method') case ('pert_method')
pert_method = IO_intValue(line,chunkPos,2_pInt) pert_method = IO_intValue(line,chunkPos,2_pInt)
case ('nhomog')
nHomog = IO_intValue(line,chunkPos,2_pInt)
case ('nmpstate') case ('nmpstate')
nMPstate = IO_intValue(line,chunkPos,2_pInt) nMPstate = IO_intValue(line,chunkPos,2_pInt)
case ('ncryst') case ('ncryst')
@ -536,7 +533,6 @@ subroutine numerics_init
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
@ -646,7 +642,6 @@ subroutine numerics_init
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg') if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) & if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
call IO_error(301_pInt,ext_msg='pert_method') call IO_error(301_pInt,ext_msg='pert_method')
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate') if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst') if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState') if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')

50
src/plastic_none.f90
View File

@ -4,16 +4,9 @@
!> @brief material subroutine for purely elastic material !> @brief material subroutine for purely elastic material
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_none module plastic_none
use prec, only: &
pInt
implicit none implicit none
private private
integer(pInt), dimension(:), allocatable, public, protected :: &
plastic_none_sizePostResults
integer(pInt), dimension(:,:), allocatable, target, public :: &
plastic_none_sizePostResult !< size of each post result output
public :: & public :: &
plastic_none_init plastic_none_init
@ -31,6 +24,8 @@ subroutine plastic_none_init
compiler_version, & compiler_version, &
compiler_options compiler_options
#endif #endif
use prec, only: &
pInt
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &
@ -51,18 +46,13 @@ subroutine plastic_none_init
integer(pInt) :: & integer(pInt) :: &
maxNinstance, & maxNinstance, &
phase, & phase, &
NofMyPhase, & NofMyPhase
sizeState, &
sizeDotState, &
sizeDeltaState
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONE_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONE_label//' init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
maxNinstance = int(count(phase_plasticity == PLASTICITY_none_ID),pInt) maxNinstance = int(count(phase_plasticity == PLASTICITY_none_ID),pInt)
if (maxNinstance == 0_pInt) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
@ -70,37 +60,25 @@ subroutine plastic_none_init
if (phase_plasticity(phase) == PLASTICITY_none_ID) then if (phase_plasticity(phase) == PLASTICITY_none_ID) then
NofMyPhase=count(material_phase==phase) NofMyPhase=count(material_phase==phase)
sizeState = 0_pInt allocate(plasticState(phase)%aTolState (0_pInt))
plasticState(phase)%sizeState = sizeState allocate(plasticState(phase)%state0 (0_pInt,NofMyPhase))
sizeDotState = sizeState allocate(plasticState(phase)%partionedState0 (0_pInt,NofMyPhase))
plasticState(phase)%sizeDotState = sizeDotState allocate(plasticState(phase)%subState0 (0_pInt,NofMyPhase))
sizeDeltaState = 0_pInt allocate(plasticState(phase)%state (0_pInt,NofMyPhase))
plasticState(phase)%sizeDeltaState = sizeDeltaState
plasticState(phase)%sizePostResults = 0_pInt
plasticState(phase)%nSlip = 0_pInt
plasticState(phase)%nTwin = 0_pInt
plasticState(phase)%nTrans = 0_pInt
allocate(plasticState(phase)%aTolState (sizeState))
allocate(plasticState(phase)%state0 (sizeState,NofMyPhase))
allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase))
allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase))
allocate(plasticState(phase)%state (sizeState,NofMyPhase))
allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase)) allocate(plasticState(phase)%dotState (0_pInt,NofMyPhase))
allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase)) allocate(plasticState(phase)%deltaState (0_pInt,NofMyPhase))
if (any(numerics_integrator == 1_pInt)) then if (any(numerics_integrator == 1_pInt)) then
allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase)) allocate(plasticState(phase)%previousDotState (0_pInt,NofMyPhase))
allocate(plasticState(phase)%previousDotState2(sizeDotState,NofMyPhase)) allocate(plasticState(phase)%previousDotState2(0_pInt,NofMyPhase))
endif endif
if (any(numerics_integrator == 4_pInt)) & if (any(numerics_integrator == 4_pInt)) &
allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase)) allocate(plasticState(phase)%RK4dotState (0_pInt,NofMyPhase))
if (any(numerics_integrator == 5_pInt)) & if (any(numerics_integrator == 5_pInt)) &
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase)) allocate(plasticState(phase)%RKCK45dotState (6,0_pInt,NofMyPhase))
endif endif
enddo initializeInstances enddo initializeInstances
allocate(plastic_none_sizePostResults(maxNinstance), source=0_pInt)
end subroutine plastic_none_init end subroutine plastic_none_init
end module plastic_none end module plastic_none

1264
src/plastic_phenopowerlaw.f90
View File

File diff suppressed because it is too large Load Diff

12
src/prec.f90
View File

@ -28,21 +28,21 @@ module prec
integer(pInt), allocatable, dimension(:) :: realloc_lhs_test integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
type, public :: p_vec !< variable length datatype used for storage of state type, public :: group_scalar !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p real(pReal), dimension(:), pointer :: p
end type p_vec end type group_scalar
type, public :: p_intvec type, public :: group_int
integer(pInt), dimension(:), pointer :: p integer(pInt), dimension(:), pointer :: p
end type p_intvec end type group_int
!http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array !http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array
type, public :: tState type, public :: tState
integer(pInt) :: & integer(pInt) :: &
sizeState = 0_pInt, & !< size of state sizeState = 0_pInt, & !< size of state
sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
offsetDeltaState = 0_pInt, & !< offset of delta state offsetDeltaState = 0_pInt, & !< index offset of delta state
sizeDeltaState = 0_pInt, & !< size of delta state, i.e. state(offset+1:offset+sizeDot) follows time evolution by deltaState increments sizeDeltaState = 0_pInt, & !< size of delta state, i.e. state(offset+1:offset+sizeDelta) follows time evolution by deltaState increments
sizePostResults = 0_pInt !< size of output data sizePostResults = 0_pInt !< size of output data
real(pReal), pointer, dimension(:), contiguous :: & real(pReal), pointer, dimension(:), contiguous :: &
atolState atolState

187
src/spectral_interface.f90
View File

@ -4,9 +4,8 @@
!> @brief Interfacing between the spectral solver and the material subroutines provided !> @brief Interfacing between the spectral solver and the material subroutines provided
!! by DAMASK !! by DAMASK
!> @details Interfacing between the spectral solver and the material subroutines provided !> @details Interfacing between the spectral solver and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments or, in case of called from f2py, !> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
!> the arguments parsed to the init routine to get load case, geometry file, working !> and working directory.
!> directory, etc.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module DAMASK_interface module DAMASK_interface
use prec, only: & use prec, only: &
@ -19,21 +18,19 @@ module DAMASK_interface
character(len=1024), public, protected :: & character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file loadCaseFile = '' !< parameter given for load case file
character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons character(len=1024), private :: workingDirectory
public :: & public :: &
getSolverWorkingDirectoryName, &
getSolverJobName, & getSolverJobName, &
DAMASK_interface_init DAMASK_interface_init
private :: & private :: &
storeWorkingDirectory, & setWorkingDirectory, &
getGeometryFile, & getGeometryFile, &
getLoadCaseFile, & getLoadCaseFile, &
rectifyPath, & rectifyPath, &
makeRelativePath, & makeRelativePath, &
IIO_stringValue, & IIO_stringValue, &
IIO_intValue, & IIO_intValue, &
IIO_lc, &
IIO_stringPos IIO_stringPos
contains contains
@ -57,7 +54,7 @@ subroutine DAMASK_interface_init()
implicit none implicit none
character(len=1024) :: & character(len=1024) :: &
commandLine, & !< command line call as string commandLine, & !< command line call as string
loadCaseArg ='', & !< -l argument given to DAMASK_spectral.exe loadcaseArg = '', & !< -l argument given to DAMASK_spectral.exe
geometryArg = '', & !< -g argument given to DAMASK_spectral.exe geometryArg = '', & !< -g argument given to DAMASK_spectral.exe
workingDirArg = '', & !< -w argument given to DAMASK_spectral.exe workingDirArg = '', & !< -w argument given to DAMASK_spectral.exe
hostName, & !< name of machine on which DAMASK_spectral.exe is execute (might require export HOSTNAME) hostName, & !< name of machine on which DAMASK_spectral.exe is execute (might require export HOSTNAME)
@ -114,7 +111,7 @@ subroutine DAMASK_interface_init()
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',& dateAndTime(2),'/',&
@ -128,9 +125,8 @@ subroutine DAMASK_interface_init()
call get_command(commandLine) call get_command(commandLine)
chunkPos = IIO_stringPos(commandLine) chunkPos = IIO_stringPos(commandLine)
do i = 1, chunkPos(1) do i = 2_pInt, chunkPos(1)
tag = IIO_lc(IIO_stringValue(commandLine,chunkPos,i)) ! extract key select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
select case(tag)
case ('-h','--help') case ('-h','--help')
write(6,'(a)') ' #######################################################################' write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK_spectral:' write(6,'(a)') ' DAMASK_spectral:'
@ -179,23 +175,25 @@ subroutine DAMASK_interface_init()
write(6,'(a,/)')' Prints this message and exits' write(6,'(a,/)')' Prints this message and exits'
call quit(0_pInt) ! normal Termination call quit(0_pInt) ! normal Termination
case ('-l', '--load', '--loadcase') case ('-l', '--load', '--loadcase')
loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt) if ( i < chunkPos(1)) loadcaseArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-g', '--geom', '--geometry') case ('-g', '--geom', '--geometry')
geometryArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt) if (i < chunkPos(1)) geometryArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory') case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
workingDirArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt) if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-r', '--rs', '--restart') case ('-r', '--rs', '--restart')
if (i < chunkPos(1)) then
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt) spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
appendToOutFile = .true. appendToOutFile = .true.
endif
end select end select
enddo enddo
if (len(trim(loadcaseArg)) == 0 .or. len(trim(geometryArg)) == 0) then if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
write(6,'(a)') ' Please specify geometry AND load case (-h for help)' write(6,'(a)') ' Please specify geometry AND load case (-h for help)'
call quit(1_pInt) call quit(1_pInt)
endif endif
workingDirectory = trim(storeWorkingDirectory(trim(workingDirArg),trim(geometryArg))) workingDirectory = trim(setWorkingDirectory(trim(workingDirArg)))
geometryFile = getGeometryFile(geometryArg) geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg) loadCaseFile = getLoadCaseFile(loadCaseArg)
@ -208,7 +206,7 @@ subroutine DAMASK_interface_init()
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg) write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg) write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName()) write(6,'(a,a)') ' Working directory: ', trim(workingDirectory)
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile) write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile) write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName()) write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
@ -222,59 +220,39 @@ end subroutine DAMASK_interface_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief extract working directory from given argument or from location of geometry file, !> @brief extract working directory from given argument or from location of geometry file,
!! possibly converting relative arguments to absolut path !! possibly converting relative arguments to absolut path
!> @todo change working directory with call chdir(storeWorkingDirectory)?
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryArg) character(len=1024) function setWorkingDirectory(workingDirectoryArg)
use system_routines, only: & use system_routines, only: &
isDirectory, & getCWD, &
getCWD setCWD
implicit none implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=*), intent(in) :: geometryArg !< geometry argument
character(len=1024) :: cwd
logical :: error logical :: error
external :: quit external :: quit
wdGiven: if (len(workingDirectoryArg)>0) then wdGiven: if (len(workingDirectoryArg)>0) then
absolutePath: if (workingDirectoryArg(1:1) == '/') then absolutePath: if (workingDirectoryArg(1:1) == '/') then
storeWorkingDirectory = workingDirectoryArg setWorkingDirectory = workingDirectoryArg
else absolutePath else absolutePath
error = getCWD(cwd) error = getCWD(setWorkingDirectory)
if (error) call quit(1_pInt) if (error) call quit(1_pInt)
storeWorkingDirectory = trim(cwd)//'/'//workingDirectoryArg setWorkingDirectory = trim(setWorkingDirectory)//'/'//workingDirectoryArg
endif absolutePath endif absolutePath
if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= '/') &
storeWorkingDirectory = trim(storeWorkingDirectory)//'/' ! if path seperator is not given, append it
else wdGiven else wdGiven
if (geometryArg(1:1) == '/') then ! absolute path given as command line argument error = getCWD(setWorkingDirectory) ! relative 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) if (error) call quit(1_pInt)
storeWorkingDirectory = trim(cwd)//'/'//geometryArg(1:scan(geometryArg,'/',back=.true.))
endif
endif wdGiven endif wdGiven
storeWorkingDirectory = trim(rectifyPath(storeWorkingDirectory)) setWorkingDirectory = trim(rectifyPath(setWorkingDirectory))
if(.not. isDirectory(trim(storeWorkingDirectory))) then ! check if the directory exists
write(6,'(a20,a,a16)') ' working directory "',trim(storeWorkingDirectory),'" does not exist' error = setCWD(trim(setWorkingDirectory))
if(error) then
write(6,'(a20,a,a16)') ' working directory "',trim(setWorkingDirectory),'" does not exist'
call quit(1_pInt) call quit(1_pInt)
endif endif
end function storeWorkingDirectory end function setWorkingDirectory
!--------------------------------------------------------------------------------------------------
!> @brief simply returns the private string workingDir
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverWorkingDirectoryName()
implicit none
getSolverWorkingDirectoryName = workingDirectory
end function getSolverWorkingDirectoryName
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -306,32 +284,23 @@ end function getSolverJobName
!> @brief basename of geometry file with extension from command line arguments !> @brief basename of geometry file with extension from command line arguments
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter) character(len=1024) function getGeometryFile(geometryParameter)
use system_routines, only: &
getCWD
implicit none implicit none
character(len=1024), intent(in) :: & character(len=1024), intent(in) :: &
geometryParameter geometryParameter
character(len=1024) :: &
cwd
integer :: posExt, posSep integer :: posExt, posSep
logical :: error
external :: quit external :: quit
getGeometryFile = geometryParameter getGeometryFile = trim(geometryParameter)
posExt = scan(getGeometryFile,'.',back=.true.) posExt = scan(getGeometryFile,'.',back=.true.)
posSep = scan(getGeometryFile,'/',back=.true.) posSep = scan(getGeometryFile,'/',back=.true.)
if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom') ! no extension present if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom')
if (scan(getGeometryFile,'/') /= 1) then ! relative path given as command line argument if (scan(getGeometryFile,'/') /= 1) &
error = getcwd(cwd) getGeometryFile = trim(workingDirectory)//'/'//trim(getGeometryFile)
if (error) call quit(1_pInt)
getGeometryFile = rectifyPath(trim(cwd)//'/'//getGeometryFile) getGeometryFile = makeRelativePath(workingDirectory, getGeometryFile)
else
getGeometryFile = rectifyPath(getGeometryFile)
endif
getGeometryFile = makeRelativePath(getSolverWorkingDirectoryName(), getGeometryFile)
end function getGeometryFile end function getGeometryFile
@ -340,38 +309,29 @@ end function getGeometryFile
!> @brief relative path of loadcase from command line arguments !> @brief relative path of loadcase from command line arguments
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter) character(len=1024) function getLoadCaseFile(loadCaseParameter)
use system_routines, only: &
getCWD
implicit none implicit none
character(len=1024), intent(in) :: & character(len=1024), intent(in) :: &
loadCaseParameter loadCaseParameter
character(len=1024) :: &
cwd
integer :: posExt, posSep integer :: posExt, posSep
logical :: error
external :: quit external :: quit
getLoadCaseFile = loadcaseParameter getLoadCaseFile = trim(loadCaseParameter)
posExt = scan(getLoadCaseFile,'.',back=.true.) posExt = scan(getLoadCaseFile,'.',back=.true.)
posSep = scan(getLoadCaseFile,'/',back=.true.) posSep = scan(getLoadCaseFile,'/',back=.true.)
if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load') ! no extension present if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load')
if (scan(getLoadCaseFile,'/') /= 1) then ! relative path given as command line argument if (scan(getLoadCaseFile,'/') /= 1) &
error = getcwd(cwd) getLoadCaseFile = trim(workingDirectory)//'/'//trim(getLoadCaseFile)
if (error) call quit(1_pInt)
getLoadCaseFile = rectifyPath(trim(cwd)//'/'//getLoadCaseFile)
else
getLoadCaseFile = rectifyPath(getLoadCaseFile)
endif
getLoadCaseFile = makeRelativePath(getSolverWorkingDirectoryName(), getLoadCaseFile) getLoadCaseFile = makeRelativePath(workingDirectory, getLoadCaseFile)
end function getLoadCaseFile end function getLoadCaseFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief remove ../ and /./ from path !> @brief remove ../, /./, and // from path.
!> @details works only if absolute path is given
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function rectifyPath(path) function rectifyPath(path)
@ -385,14 +345,21 @@ function rectifyPath(path)
l = len_trim(path) l = len_trim(path)
rectifyPath = path rectifyPath = path
do i = l,3,-1 do i = l,3,-1
if (rectifyPath(i-2:i) == '/'//'.'//'/') & if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
rectifyPath(i-1:l) = rectifyPath(i+1:l)//' ' enddo
!--------------------------------------------------------------------------------------------------
! remove // from path
l = len_trim(path)
rectifyPath = path
do i = l,2,-1
if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' '
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! remove ../ and corresponding directory from rectifyPath ! remove ../ and corresponding directory from rectifyPath
l = len_trim(rectifyPath) l = len_trim(rectifyPath)
i = index(rectifyPath(i:l),'..'//'/') i = index(rectifyPath(i:l),'../')
j = 0 j = 0
do while (i > j) do while (i > j)
j = scan(rectifyPath(1:i-2),'/',back=.true.) j = scan(rectifyPath(1:i-2),'/',back=.true.)
@ -402,7 +369,7 @@ function rectifyPath(path)
rectifyPath(j+1:k-1) = rectifyPath(j+2:k) rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
rectifyPath(k:k) = ' ' rectifyPath(k:k) = ' '
endif endif
i = j+index(rectifyPath(j+1:l),'..'//'/') i = j+index(rectifyPath(j+1:l),'../')
enddo enddo
if(len_trim(rectifyPath) == 0) rectifyPath = '/' if(len_trim(rectifyPath) == 0) rectifyPath = '/'
@ -415,20 +382,24 @@ end function rectifyPath
character(len=1024) function makeRelativePath(a,b) character(len=1024) function makeRelativePath(a,b)
implicit none implicit none
character (len=*) :: a,b character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes !no pInt integer :: i,posLastCommonSlash,remainingSlashes !no pInt
posLastCommonSlash = 0 posLastCommonSlash = 0
remainingSlashes = 0 remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
do i = 1, min(1024,len_trim(a),len_trim(b)) do i = 1, min(1024,len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned)))
if (a(i:i) /= b(i:i)) exit if (a_cleaned(i:i) /= b_cleaned(i:i)) exit
if (a(i:i) == '/') posLastCommonSlash = i if (a_cleaned(i:i) == '/') posLastCommonSlash = i
enddo enddo
do i = posLastCommonSlash+1,len_trim(a) do i = posLastCommonSlash+1,len_trim(a_cleaned)
if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1 if (a_cleaned(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo enddo
makeRelativePath = repeat('..'//'/',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned))
end function makeRelativePath end function makeRelativePath
@ -441,15 +412,10 @@ pure function IIO_stringValue(string,chunkPos,myChunk)
implicit none implicit none
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
integer(pInt), intent(in) :: myChunk !< position number of desired chunk integer(pInt), intent(in) :: myChunk !< position number of desired chunk
character(len=1+chunkPos(myChunk*2+1)-chunkPos(myChunk*2)) :: IIO_stringValue character(len=chunkPos(myChunk*2+1)-chunkPos(myChunk*2)+1) :: IIO_stringValue
character(len=*), intent(in) :: string !< raw input with known start and end of each chunk character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
IIO_stringValue = ''
else valuePresent
IIO_stringValue = string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)) IIO_stringValue = string(chunkPos(myChunk*2):chunkPos(myChunk*2+1))
endif valuePresent
end function IIO_stringValue end function IIO_stringValue
@ -476,29 +442,6 @@ integer(pInt) pure function IIO_intValue(string,chunkPos,myChunk)
end function IIO_intValue end function IIO_intValue
!--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_lc for documentation
!--------------------------------------------------------------------------------------------------
pure function IIO_lc(string)
implicit none
character(len=*), intent(in) :: string !< string to convert
character(len=len(string)) :: IIO_lc
character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
integer :: i,n ! no pInt (len returns default integer)
IIO_lc = string
do i=1,len(string)
n = index(UPPER,IIO_lc(i:i))
if (n/=0) IIO_lc(i:i) = LOWER(n:n)
enddo
end function IIO_lc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_stringPos for documentation !> @brief taken from IO, check IO_stringPos for documentation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

2
src/spectral_thermal.f90
View File

@ -65,8 +65,6 @@ subroutine spectral_thermal_init
compiler_options compiler_options
#endif #endif
use IO, only: & use IO, only: &
IO_intOut, &
IO_read_realFile, &
IO_timeStamp IO_timeStamp
use spectral_utilities, only: & use spectral_utilities, only: &
wgt wgt

4
src/vacancyflux_cahnhilliard.f90
View File

@ -7,7 +7,7 @@ module vacancyflux_cahnhilliard
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt, & pInt, &
p_vec group_scalar
implicit none implicit none
private private
@ -26,7 +26,7 @@ module vacancyflux_cahnhilliard
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_flucAmplitude vacancyflux_cahnhilliard_flucAmplitude
type(p_vec), dimension(:), allocatable, private :: & type(group_scalar), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_thermalFluc vacancyflux_cahnhilliard_thermalFluc
real(pReal), parameter, private :: & real(pReal), parameter, private :: &