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DAMASK_EICMD
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using shared interface for spectral and FEM solver 

group_scalar seems inappropriate as integers are also scalars. renamed
to group_float (is actually usually of double precision).

think about better name, types should have a t prefix. tgroupFloat?
This commit is contained in:
Martin Diehl 2018-08-20 16:09:40 +02:00
parent b8d56ae320
commit 3e4c878304
9 changed files with 11 additions and 488 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit c4471725893e301044924eb0990e2ad619aa0a46
Subproject commit 50eb21714e2f501b111bb62096ebb6a5bfc6708a

8
src/CMakeLists.txt
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@ -17,13 +17,7 @@ list(APPEND OBJECTFILES $<TARGET_OBJECTS:SYSTEM_ROUTINES>)
add_library(PREC OBJECT "prec.f90")
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PREC>)
if (PROJECT_NAME STREQUAL "DAMASK_spectral")
add_library(DAMASK_INTERFACE OBJECT "spectral_interface.f90")
elseif (PROJECT_NAME STREQUAL "DAMASK_FEM")
add_library(DAMASK_INTERFACE OBJECT "FEM_interface.f90")
else ()
message (FATAL_ERROR "Build target (PROJECT_NAME) is not defined")
endif()
add_library(DAMASK_INTERFACE OBJECT "DAMASK_interface.f90")
add_dependencies(DAMASK_INTERFACE PREC SYSTEM_ROUTINES)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:DAMASK_INTERFACE>)

3
src/DAMASK_FEM.f90
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@ -16,8 +16,7 @@ program DAMASK_FEM
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
getSolverJobName, &
appendToOutFile
getSolverJobName
use IO, only: &
IO_read, &
IO_isBlank, &

0
src/spectral_interface.f90 → src/DAMASK_interface.f90
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470
src/FEM_interface.f90
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@ -1,470 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfacing between the FEM solvers and the material subroutines provided
!! by DAMASK
!> @details Interfacing between the FEM solvers and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments to the init routine to
!> get load case, geometry file, working directory, etc.
!--------------------------------------------------------------------------------------------------
module DAMASK_interface
use prec, only: &
pInt
implicit none
private
logical, public, protected :: appendToOutFile = .false. !< Append to existing output file
integer(pInt), public, protected :: FEMRestartInc = 0_pInt !< Increment at which calculation starts
character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
character(len=1024), private :: workingDirectory
public :: &
getSolverJobName, &
DAMASK_interface_init
private :: &
setWorkingDirectory, &
getGeometryFile, &
getLoadCaseFile, &
rectifyPath, &
makeRelativePath, &
IIO_stringValue, &
IIO_intValue, &
IIO_stringPos
contains
!--------------------------------------------------------------------------------------------------
!> @brief initializes the solver by interpreting the command line arguments. Also writes
!! information on computation to screen
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init()
use, intrinsic :: &
iso_fortran_env
#include <petsc/finclude/petscsys.h>
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=9
===================================================================================================
========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.9.x =========================
===================================================================================================
#endif
use PETScSys
use system_routines, only: &
getHostName
implicit none
character(len=1024) :: &
commandLine, & !< command line call as string
loadcaseArg = '', & !< -l argument given to DAMASK_FEM.exe
geometryArg = '', & !< -g argument given to DAMASK_FEM.exe
workingDirArg = '', & !< -w argument given to DAMASK_FEM.exe
hostName, & !< name of machine on which DAMASK_FEM.exe is execute (might require export HOSTNAME)
userName, & !< name of user calling DAMASK_FEM.exe
tag
integer :: &
i, &
#ifdef _OPENMP
threadLevel, &
#endif
worldrank = 0, &
worldsize = 0
integer, allocatable, dimension(:) :: &
chunkPos
integer, dimension(8) :: &
dateAndTime ! type default integer
PetscErrorCode :: ierr
logical :: error
external :: &
quit,&
PETScErrorF, & ! is called in the CHKERRQ macro
PETScInitialize
open(6, encoding='UTF-8') ! for special characters in output
!--------------------------------------------------------------------------------------------------
! PETSc Init
#ifdef _OPENMP
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
! Otherwise, the first call to PETSc will do the initialization.
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr)
if (threadLevel<MPI_THREAD_FUNNELED) then
write(6,'(a)') ' MPI library does not support OpenMP'
call quit(1_pInt)
endif
#endif
call PETScInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
CHKERRQ(ierr) ! this is a macro definition, it is case sensitive
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
mainProcess: if (worldrank == 0) then
if (output_unit /= 6) then
write(output_unit,'(a)') ' STDOUT != 6'
call quit(1_pInt)
endif
if (error_unit /= 0) then
write(output_unit,'(a)') ' STDERR != 0'
call quit(1_pInt)
endif
else mainProcess
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
endif mainProcess
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_FEM -+>>>'
write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90"
call get_command(commandLine)
chunkPos = IIO_stringPos(commandLine)
do i = 2_pInt, chunkPos(1)
select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
case ('-h','--help')
write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK_FEM:'
write(6,'(a)') ' FEM solvers for the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a,/)')' #######################################################################'
write(6,'(a,/)')' Valid command line switches:'
write(6,'(a)') ' --geom (-g, --geometry)'
write(6,'(a)') ' --load (-l, --loadcase)'
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
write(6,'(a)') ' --restart (-r, --rs)'
write(6,'(a)') ' --help (-h)'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Mandatory arguments:'
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
write(6,'(a)') ' Specifies the location of the geometry definition file,'
write(6,'(a)') ' if no extension is given, .geom will be appended.'
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
write(6,'(a)') ' via --workingdir.'
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "numerics.config" in that directory.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
write(6,'(a)') ' Specifies the location of the load case definition file,'
write(6,'(a)') ' if no extension is given, .load will be appended.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Optional arguments:'
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
write(6,'(a)') ' Specifies the working directory and overwrites the default'
write(6,'(a)') ' "PathToGeomFile".'
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "debug.config" in that directory.'
write(6,'(/,a)')' --restart XX'
write(6,'(a)') ' Reads in increment XX and continues with calculating'
write(6,'(a)') ' increment XX+1 based on this.'
write(6,'(a)') ' Appends to existing results file'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.YYYYYYYYYYYYYYYYYYYYYYYYYYYYYYY".'
write(6,'(a)') ' Works only if the restart information for increment XX'
write(6,'(a)') ' is available in the working directory.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Help:'
write(6,'(/,a)')' --help'
write(6,'(a,/)')' Prints this message and exits'
call quit(0_pInt) ! normal Termination
case ('-l', '--load', '--loadcase')
if ( i < chunkPos(1)) loadcaseArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-g', '--geom', '--geometry')
if (i < chunkPos(1)) geometryArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-r', '--rs', '--restart')
if (i < chunkPos(1)) then
FEMRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
appendToOutFile = .true.
endif
end select
enddo
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
write(6,'(a)') ' Please specify geometry AND load case (-h for help)'
call quit(1_pInt)
endif
workingDirectory = trim(setWorkingDirectory(trim(workingDirArg)))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
call get_environment_variable('USER',userName)
error = getHostName(hostName)
write(6,'(a,a)') ' Host name: ', trim(hostName)
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg)) > 0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(workingDirectory)
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
if (FEMRestartInc > 0_pInt) &
write(6,'(a,i6.6)') ' Restart from increment: ', FEMRestartInc
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief extract working directory from given argument or from location of geometry file,
!! possibly converting relative arguments to absolut path
!--------------------------------------------------------------------------------------------------
character(len=1024) function setWorkingDirectory(workingDirectoryArg)
use system_routines, only: &
getCWD, &
setCWD
implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
logical :: error
external :: quit
wdGiven: if (len(workingDirectoryArg)>0) then
absolutePath: if (workingDirectoryArg(1:1) == '/') then
setWorkingDirectory = workingDirectoryArg
else absolutePath
error = getCWD(setWorkingDirectory)
if (error) call quit(1_pInt)
setWorkingDirectory = trim(setWorkingDirectory)//'/'//workingDirectoryArg
endif absolutePath
else wdGiven
error = getCWD(setWorkingDirectory) ! relative path given as command line argument
if (error) call quit(1_pInt)
endif wdGiven
setWorkingDirectory = trim(rectifyPath(setWorkingDirectory))
error = setCWD(trim(setWorkingDirectory))
if(error) then
write(6,'(a20,a,a16)') ' working directory "',trim(setWorkingDirectory),'" does not exist'
call quit(1_pInt)
endif
end function setWorkingDirectory
!--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName()
implicit none
integer :: posExt,posSep
character(len=1024) :: tempString
tempString = geometryFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = tempString(posSep+1:posExt-1)
tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
end function getSolverJobName
!--------------------------------------------------------------------------------------------------
!> @brief basename of geometry file with extension from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter)
implicit none
character(len=1024), intent(in) :: &
geometryParameter
integer :: posExt, posSep
external :: quit
getGeometryFile = trim(geometryParameter)
posExt = scan(getGeometryFile,'.',back=.true.)
posSep = scan(getGeometryFile,'/',back=.true.)
if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom')
if (scan(getGeometryFile,'/') /= 1) &
getGeometryFile = trim(workingDirectory)//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(workingDirectory, getGeometryFile)
end function getGeometryFile
!--------------------------------------------------------------------------------------------------
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter)
implicit none
character(len=1024), intent(in) :: &
loadCaseParameter
integer :: posExt, posSep
external :: quit
getLoadCaseFile = trim(loadCaseParameter)
posExt = scan(getLoadCaseFile,'.',back=.true.)
posSep = scan(getLoadCaseFile,'/',back=.true.)
if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load')
if (scan(getLoadCaseFile,'/') /= 1) &
getLoadCaseFile = trim(workingDirectory)//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(workingDirectory, getLoadCaseFile)
end function getLoadCaseFile
!--------------------------------------------------------------------------------------------------
!> @brief remove ../, /./, and // from path.
!> @details works only if absolute path is given
!--------------------------------------------------------------------------------------------------
function rectifyPath(path)
implicit none
character(len=*) :: path
character(len=len_trim(path)) :: rectifyPath
integer :: i,j,k,l ! no pInt
!--------------------------------------------------------------------------------------------------
! remove /./ from path
l = len_trim(path)
rectifyPath = path
do i = l,3,-1
if (rectifyPath(i-2:i) == '/./') 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
!--------------------------------------------------------------------------------------------------
! remove ../ and corresponding directory from rectifyPath
l = len_trim(rectifyPath)
i = index(rectifyPath(i:l),'../')
j = 0
do while (i > j)
j = scan(rectifyPath(1:i-2),'/',back=.true.)
rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
if (rectifyPath(j+1:j+1) == '/') then !search for '//' that appear in case of XXX/../../XXX
k = len_trim(rectifyPath)
rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
rectifyPath(k:k) = ' '
endif
i = j+index(rectifyPath(j+1:l),'../')
enddo
if(len_trim(rectifyPath) == 0) rectifyPath = '/'
end function rectifyPath
!--------------------------------------------------------------------------------------------------
!> @brief relative path from absolute a to absolute b
!--------------------------------------------------------------------------------------------------
character(len=1024) function makeRelativePath(a,b)
implicit none
character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes !no pInt
posLastCommonSlash = 0
remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
do i = 1, min(1024,len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned)))
if (a_cleaned(i:i) /= b_cleaned(i:i)) exit
if (a_cleaned(i:i) == '/') posLastCommonSlash = i
enddo
do i = posLastCommonSlash+1,len_trim(a_cleaned)
if (a_cleaned(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo
makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned))
end function makeRelativePath
!--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_stringValue for documentation
!--------------------------------------------------------------------------------------------------
pure function IIO_stringValue(string,chunkPos,myChunk)
implicit none
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
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
IIO_stringValue = string(chunkPos(myChunk*2):chunkPos(myChunk*2+1))
end function IIO_stringValue
!--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_intValue for documentation
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function IIO_intValue(string,chunkPos,myChunk)
implicit none
character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
integer(pInt), intent(in) :: myChunk !< position number of desired sub string
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
IIO_intValue = 0_pInt
else valuePresent
read(UNIT=string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)),ERR=100,FMT=*) IIO_intValue
endif valuePresent
return
100 IIO_intValue = huge(1_pInt)
end function IIO_intValue
!--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_stringPos for documentation
!--------------------------------------------------------------------------------------------------
pure function IIO_stringPos(string)
implicit none
integer(pInt), dimension(:), allocatable :: IIO_stringPos
character(len=*), intent(in) :: string !< string in which chunks are searched for
character(len=*), parameter :: SEP=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
integer :: left, right ! no pInt (verify and scan return default integer)
allocate(IIO_stringPos(1), source=0_pInt)
right = 0
do while (verify(string(right+1:),SEP)>0)
left = right + verify(string(right+1:),SEP)
right = left + scan(string(left:),SEP) - 2
if ( string(left:left) == '#' ) exit
IIO_stringPos = [IIO_stringPos,int(left, pInt), int(right, pInt)]
IIO_stringPos(1) = IIO_stringPos(1)+1_pInt
enddo
end function IIO_stringPos
end module

4
src/FEM_zoo.f90
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@ -3,7 +3,7 @@
!> @brief Interpolation data used by the FEM solver
!--------------------------------------------------------------------------------------------------
module FEM_Zoo
use prec, only: pReal, pInt, p_vec
use prec, only: pReal, pInt, group_float
implicit none
private
@ -20,7 +20,7 @@ module FEM_Zoo
-1.0_pReal, -1.0_pReal, 1.0_pReal], shape=[3,4])
integer(pInt), dimension(3,maxOrder), public, protected :: &
FEM_Zoo_nQuadrature !< number of quadrature points for a given spatial dimension(1-3) and interpolation order(1-maxOrder)
type(p_vec), dimension(3,maxOrder), public, protected :: &
type(group_float), dimension(3,maxOrder), public, protected :: &
FEM_Zoo_QuadratureWeights, & !< quadrature weights for each quadrature rule
FEM_Zoo_QuadraturePoints !< quadrature point coordinates (in simplical system) for each quadrature rule

4
src/material.f90
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@ -16,7 +16,7 @@ module material
tSourceState, &
tHomogMapping, &
tPhaseMapping, &
group_scalar, &
group_float, &
group_int
implicit none
@ -268,7 +268,7 @@ module material
porosityMapping, & !< mapping for porosity state/fields
hydrogenfluxMapping !< mapping for hydrogen conc state/fields
type(group_scalar), allocatable, dimension(:), public :: &
type(group_float), allocatable, dimension(:), public :: &
temperature, & !< temperature field
damage, & !< damage field
vacancyConc, & !< vacancy conc field

4
src/prec.f90
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@ -28,9 +28,9 @@ module prec
integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
type, public :: group_scalar !< variable length datatype used for storage of state
type, public :: group_float !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p
end type group_scalar
end type group_float
type, public :: group_int
integer(pInt), dimension(:), pointer :: p

4
src/vacancyflux_cahnhilliard.f90
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@ -7,7 +7,7 @@ module vacancyflux_cahnhilliard
use prec, only: &
pReal, &
pInt, &
group_scalar
group_float
implicit none
private
@ -26,7 +26,7 @@ module vacancyflux_cahnhilliard
real(pReal), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_flucAmplitude
type(group_scalar), dimension(:), allocatable, private :: &
type(group_float), dimension(:), allocatable, private :: &
vacancyflux_cahnhilliard_thermalFluc
real(pReal), parameter, private :: &