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DAMASK_EICMD
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Merge branch 'improved-presicion-handling-2' into 'development' 

Improved presicion handling 2

See merge request damask/DAMASK!62
This commit is contained in:
Franz Roters 2019-03-07 16:58:15 +01:00
parent 507963d558 7a083c4098
commit 29812e320d
8 changed files with 522 additions and 488 deletions
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2
src/CPFEM2.f90
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@ -93,7 +93,7 @@ subroutine CPFEM_init
compiler_options compiler_options
#endif #endif
use prec, only: & use prec, only: &
pInt, pReal, pLongInt pInt, pReal
use IO, only: & use IO, only: &
IO_timeStamp, & IO_timeStamp, &
IO_error IO_error

667
src/DAMASK_interface.f90
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@ -6,33 +6,33 @@
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided !> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK !! by DAMASK
!> @details Interfacing between the PETSc-based solvers and the material subroutines provided !> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments to get load case, geometry file, !> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
!> and working directory. !> and working directory.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module DAMASK_interface module DAMASK_interface
use prec, only: & implicit none
pInt private
implicit none logical, public, protected :: &
private SIGUSR1, & !< user-defined signal 1
logical, public, protected :: SIGUSR1,SIGUSR2 SIGUSR2 !< user-defined signal 2
integer(pInt), public, protected :: & integer, public, protected :: &
interface_restartInc = 0_pInt !< Increment at which calculation starts interface_restartInc = 0 !< Increment at which calculation starts
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
public :: & public :: &
getSolverJobName, & getSolverJobName, &
DAMASK_interface_init DAMASK_interface_init
private :: & private :: &
setWorkingDirectory, & setWorkingDirectory, &
getGeometryFile, & getGeometryFile, &
getLoadCaseFile, & getLoadCaseFile, &
rectifyPath, & rectifyPath, &
makeRelativePath, & makeRelativePath, &
IIO_stringValue, & IIO_stringValue, &
IIO_intValue, & IIO_intValue, &
IIO_stringPos IIO_stringPos
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -40,10 +40,17 @@ contains
!! information on computation to screen !! information on computation to screen
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init() subroutine DAMASK_interface_init()
use, intrinsic :: & use, intrinsic :: &
iso_fortran_env iso_fortran_env
use :: & use, intrinsic :: &
iso_c_binding iso_c_binding
use PETScSys
use system_routines, only: &
signalusr1_C, &
signalusr2_C, &
getHostName, &
getCWD
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
#if defined(__GFORTRAN__) && __GNUC__ < 5 #if defined(__GFORTRAN__) && __GNUC__ < 5
=================================================================================================== ===================================================================================================
@ -59,13 +66,13 @@ subroutine DAMASK_interface_init()
#if defined(__INTEL_COMPILER) && __INTEL_COMPILER < 1600 #if defined(__INTEL_COMPILER) && __INTEL_COMPILER < 1600
=================================================================================================== ===================================================================================================
16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0
=================================================================================================== ===================================================================================================
================== THIS VERSION OF DAMASK REQUIRES ifort > 16.0 ================================ ================== THIS VERSION OF DAMASK REQUIRES ifort > 16.0 ================================
====================== THIS VERSION OF DAMASK REQUIRES ifort > 16.0 =========================== ====================== THIS VERSION OF DAMASK REQUIRES ifort > 16.0 ===========================
========================= THIS VERSION OF DAMASK REQUIRES ifort > 16.0 ======================== ========================= THIS VERSION OF DAMASK REQUIRES ifort > 16.0 ========================
=================================================================================================== ===================================================================================================
16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0 16.0
=================================================================================================== ===================================================================================================
#endif #endif
@ -81,175 +88,168 @@ subroutine DAMASK_interface_init()
=================================================================================================== ===================================================================================================
#endif #endif
use PETScSys implicit none
use system_routines, only: & character(len=1024) :: &
signalusr1_C, & commandLine, & !< command line call as string
signalusr2_C, & loadcaseArg = '', & !< -l argument given to the executable
getHostName, & geometryArg = '', & !< -g argument given to the executable
getCWD workingDirArg = '', & !< -w argument given to the executable
userName !< name of user calling the executable
implicit none integer :: &
character(len=1024) :: & i, &
commandLine, & !< command line call as string
loadcaseArg = '', & !< -l argument given to the executable
geometryArg = '', & !< -g argument given to the executable
workingDirArg = '', & !< -w argument given to the executable
userName !< name of user calling the executable
integer :: &
i, &
#ifdef _OPENMP #ifdef _OPENMP
threadLevel, & threadLevel, &
#endif #endif
worldrank = 0, & worldrank = 0, &
worldsize = 0 worldsize = 0
integer, allocatable, dimension(:) :: & integer, allocatable, dimension(:) :: &
chunkPos chunkPos
integer, dimension(8) :: & integer, dimension(8) :: &
dateAndTime ! type default integer dateAndTime
PetscErrorCode :: ierr PetscErrorCode :: ierr
external :: & external :: &
quit quit
open(6, encoding='UTF-8') ! for special characters in output open(6, encoding='UTF-8') ! for special characters in output
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc Init ! PETSc Init
#ifdef _OPENMP #ifdef _OPENMP
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly. ! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
! Otherwise, the first call to PETSc will do the initialization. ! Otherwise, the first call to PETSc will do the initialization.
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr) call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr)
if (threadLevel<MPI_THREAD_FUNNELED) then if (threadLevel<MPI_THREAD_FUNNELED) then
write(6,'(a)') ' MPI library does not support OpenMP' write(6,'(a)') ' MPI library does not support OpenMP'
call quit(1_pInt) call quit(1)
endif endif
#endif #endif
call PETScInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code 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 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_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr) call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
mainProcess: if (worldrank == 0) then mainProcess: if (worldrank == 0) then
if (output_unit /= 6) then if (output_unit /= 6) then
write(output_unit,'(a)') ' STDOUT != 6' write(output_unit,'(a)') ' STDOUT != 6'
call quit(1_pInt) call quit(1)
endif endif
if (error_unit /= 0) then if (error_unit /= 0) then
write(output_unit,'(a)') ' STDERR != 0' write(output_unit,'(a)') ' STDERR != 0'
call quit(1_pInt) call quit(1)
endif endif
else mainProcess else mainProcess
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug) 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 open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
endif mainProcess endif mainProcess
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478' write(6,'(/,a)') ' Roters et al., Computational Materials Science 158, 2018, 420-478'
write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030' write(6,'(a,/)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(a,/)') ' Version: '//DAMASKVERSION write(6,'(a,/)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md ! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with: ', compiler_version() write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options() write(6,*) 'Compiler options: ', compiler_options()
#elif defined(__INTEL_COMPILER) #elif defined(__INTEL_COMPILER)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,& write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE ', build date :', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI) #elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,& write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__ '.', __PGIC_MINOR__
#endif #endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__ write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1) write(6,'(a,2(i2.2,a),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,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
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 Command Line Interface:'
write(6,'(a)') ' For PETSc-based 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'
write(6,'(a)') ' Specifies the location of the geometry definition file.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
write(6,'(a)') ' Specifies the location of the load case definition file.'
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)') ' 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".'
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
interface_restartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
endif
end select
enddo
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then call get_command(commandLine)
write(6,'(a)') ' Please specify geometry AND load case (-h for help)' chunkPos = IIO_stringPos(commandLine)
call quit(1_pInt) do i = 2, chunkPos(1)
endif select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
case ('-h','--help')
write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK Command Line Interface:'
write(6,'(a)') ' For PETSc-based 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'
write(6,'(a)') ' Specifies the location of the geometry definition file.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
write(6,'(a)') ' Specifies the location of the load case definition file.'
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)') ' 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".'
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) ! normal Termination
case ('-l', '--load', '--loadcase')
if ( i < chunkPos(1)) loadcaseArg = trim(IIO_stringValue(commandLine,chunkPos,i+1))
case ('-g', '--geom', '--geometry')
if (i < chunkPos(1)) geometryArg = trim(IIO_stringValue(commandLine,chunkPos,i+1))
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1))
case ('-r', '--rs', '--restart')
if (i < chunkPos(1)) then
interface_restartInc = IIO_IntValue(commandLine,chunkPos,i+1)
endif
end select
enddo
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg)) if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
geometryFile = getGeometryFile(geometryArg) write(6,'(a)') ' Please specify geometry AND load case (-h for help)'
loadCaseFile = getLoadCaseFile(loadCaseArg) call quit(1)
endif
call get_environment_variable('USER',userName) if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux geometryFile = getGeometryFile(geometryArg)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize loadCaseFile = getLoadCaseFile(loadCaseArg)
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(/a,a)') ' Command line call: ', trim(commandLine) call get_environment_variable('USER',userName)
if (len(trim(workingDirArg)) > 0) & ! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg) write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg) write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Working directory: ', trim(getCWD())
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 (interface_restartInc > 0_pInt) &
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
call signalusr1_c(c_funloc(setSIGUSR1)) write(6,'(/a,a)') ' Command line call: ', trim(commandLine)
call signalusr2_c(c_funloc(setSIGUSR2)) if (len(trim(workingDirArg)) > 0) &
SIGUSR1 = .false. write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
SIGUSR2 = .false. write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(getCWD())
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 (interface_restartInc > 0) &
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
call signalusr1_c(c_funloc(setSIGUSR1))
call signalusr2_c(c_funloc(setSIGUSR2))
SIGUSR1 = .false.
SIGUSR2 = .false.
end subroutine DAMASK_interface_init end subroutine DAMASK_interface_init
@ -260,29 +260,29 @@ end subroutine DAMASK_interface_init
!! possibly converting relative arguments to absolut path !! possibly converting relative arguments to absolut path
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine setWorkingDirectory(workingDirectoryArg) subroutine setWorkingDirectory(workingDirectoryArg)
use system_routines, only: & use system_routines, only: &
getCWD, & getCWD, &
setCWD setCWD
implicit none implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=1024) :: workingDirectory !< working directory argument character(len=1024) :: workingDirectory !< working directory argument
logical :: error logical :: error
external :: quit external :: quit
absolutePath: if (workingDirectoryArg(1:1) == '/') then absolutePath: if (workingDirectoryArg(1:1) == '/') then
workingDirectory = workingDirectoryArg workingDirectory = workingDirectoryArg
else absolutePath else absolutePath
workingDirectory = getCWD() workingDirectory = getCWD()
workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg
endif absolutePath endif absolutePath
workingDirectory = trim(rectifyPath(workingDirectory)) workingDirectory = trim(rectifyPath(workingDirectory))
error = setCWD(trim(workingDirectory)) error = setCWD(trim(workingDirectory))
if(error) then if(error) then
write(6,'(a20,a,a16)') ' working directory "',trim(workingDirectory),'" does not exist' write(6,'(a20,a,a16)') ' Working directory "',trim(workingDirectory),'" does not exist'
call quit(1_pInt) call quit(1)
endif endif
end subroutine setWorkingDirectory end subroutine setWorkingDirectory
@ -292,22 +292,22 @@ end subroutine setWorkingDirectory
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName() character(len=1024) function getSolverJobName()
implicit none implicit none
integer :: posExt,posSep integer :: posExt,posSep
character(len=1024) :: tempString character(len=1024) :: tempString
tempString = geometryFile tempString = geometryFile
posExt = scan(tempString,'.',back=.true.) posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.) posSep = scan(tempString,'/',back=.true.)
getSolverJobName = tempString(posSep+1:posExt-1) getSolverJobName = tempString(posSep+1:posExt-1)
tempString = loadCaseFile tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.) posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.) posSep = scan(tempString,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1) getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
end function getSolverJobName end function getSolverJobName
@ -316,23 +316,23 @@ 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: & use system_routines, only: &
getCWD getCWD
implicit none implicit none
character(len=1024), intent(in) :: geometryParameter character(len=1024), intent(in) :: geometryParameter
logical :: file_exists logical :: file_exists
external :: quit external :: quit
getGeometryFile = trim(geometryParameter) getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile) if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile) getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
inquire(file=trim(getGeometryFile), exist=file_exists) inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then if (.not. file_exists) then
write(6,'(a)') ' Geometry file does not exists ('//trim(getGeometryFile)//')' write(6,'(a)') ' Geometry file does not exists ('//trim(getGeometryFile)//')'
call quit(1_pInt) call quit(1)
endif endif
end function getGeometryFile end function getGeometryFile
@ -341,23 +341,23 @@ 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: & use system_routines, only: &
getCWD getCWD
implicit none implicit none
character(len=1024), intent(in) :: loadCaseParameter character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists logical :: file_exists
external :: quit external :: quit
getLoadCaseFile = trim(loadCaseParameter) getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile) if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile) getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
inquire(file=trim(getLoadCaseFile), exist=file_exists) inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then if (.not. file_exists) then
write(6,'(a)') ' Geometry file does not exists ('//trim(getLoadCaseFile)//')' write(6,'(a)') ' Load case file does not exists ('//trim(getLoadCaseFile)//')'
call quit(1_pInt) call quit(1)
endif endif
end function getLoadCaseFile end function getLoadCaseFile
@ -368,162 +368,163 @@ end function getLoadCaseFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function rectifyPath(path) function rectifyPath(path)
implicit none implicit none
character(len=*) :: path character(len=*) :: path
character(len=1024) :: rectifyPath character(len=1024) :: rectifyPath
integer :: i,j,k,l ! no pInt integer :: i,j,k,l
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! remove /./ from path ! remove /./ from path
rectifyPath = trim(path) rectifyPath = trim(path)
l = len_trim(rectifyPath) l = len_trim(rectifyPath)
do i = l,3,-1 do i = l,3,-1
if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' ' if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! remove // from path ! remove // from path
l = len_trim(rectifyPath) l = len_trim(rectifyPath)
do i = l,2,-1 do i = l,2,-1
if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' ' 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.)
rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j) 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 if (rectifyPath(j+1:j+1) == '/') then !search for '//' that appear in case of XXX/../../XXX
k = len_trim(rectifyPath) k = len_trim(rectifyPath)
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 = '/'
end function rectifyPath end function rectifyPath
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief relative path from absolute a to absolute b !> @brief relative path from absolute a to absolute b
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function makeRelativePath(a,b) character(len=1024) function makeRelativePath(a,b)
implicit none implicit none
character (len=*), intent(in) :: a,b character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes !no pInt integer :: i,posLastCommonSlash,remainingSlashes
posLastCommonSlash = 0 posLastCommonSlash = 0
remainingSlashes = 0 remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/') a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b) b_cleaned = rectifyPath(b)
do i = 1, min(1024,len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned))) 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) /= b_cleaned(i:i)) exit
if (a_cleaned(i:i) == '/') posLastCommonSlash = i if (a_cleaned(i:i) == '/') posLastCommonSlash = i
enddo enddo
do i = posLastCommonSlash+1,len_trim(a_cleaned) do i = posLastCommonSlash+1,len_trim(a_cleaned)
if (a_cleaned(i:i) == '/') remainingSlashes = remainingSlashes + 1 if (a_cleaned(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo enddo
makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned)) makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned))
end function makeRelativePath end function makeRelativePath
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR1 to .true. if program receives SIGUSR1 !> @brief sets global variable SIGUSR1 to .true. if program receives SIGUSR1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine setSIGUSR1(signal) bind(C) subroutine setSIGUSR1(signal) bind(C)
use :: iso_c_binding use :: iso_c_binding
implicit none implicit none
integer(C_INT), value :: signal integer(C_INT), value :: signal
SIGUSR1 = .true. SIGUSR1 = .true.
write(6,*) 'received signal ',signal, 'set SIGUSR1' write(6,*) 'received signal ',signal, 'set SIGUSR1'
end subroutine setSIGUSR1 end subroutine setSIGUSR1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2 !> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine setSIGUSR2(signal) bind(C) subroutine setSIGUSR2(signal) bind(C)
use :: iso_c_binding use :: iso_c_binding
implicit none implicit none
integer(C_INT), value :: signal integer(C_INT), value :: signal
SIGUSR2 = .true. SIGUSR2 = .true.
write(6,*) 'received signal ',signal, 'set SIGUSR2'
write(6,*) 'received signal ',signal, 'set SIGUSR2'
end subroutine setSIGUSR2 end subroutine setSIGUSR2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_stringValue for documentation !> @brief taken from IO, check IO_stringValue for documentation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function IIO_stringValue(string,chunkPos,myChunk) 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)) implicit none
integer, dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
integer, 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 end function IIO_stringValue
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_intValue for documentation !> @brief taken from IO, check IO_intValue for documentation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer(pInt) pure function IIO_intValue(string,chunkPos,myChunk) integer pure function IIO_intValue(string,chunkPos,myChunk)
implicit none implicit none
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
integer(pInt), intent(in) :: myChunk !< position number of desired sub string integer, 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 integer, 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 valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
IIO_intValue = 0_pInt IIO_intValue = 0
else valuePresent else valuePresent
read(UNIT=string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)),ERR=100,FMT=*) IIO_intValue read(UNIT=string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)),ERR=100,FMT=*) IIO_intValue
endif valuePresent endif valuePresent
return return
100 IIO_intValue = huge(1_pInt) 100 IIO_intValue = huge(1)
end function IIO_intValue end function IIO_intValue
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief taken from IO, check IO_stringPos for documentation !> @brief taken from IO, check IO_stringPos for documentation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function IIO_stringPos(string) pure function IIO_stringPos(string)
implicit none implicit none
integer(pInt), dimension(:), allocatable :: IIO_stringPos integer, dimension(:), allocatable :: IIO_stringPos
character(len=*), intent(in) :: string !< string in which chunks are searched for 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) character(len=*), parameter :: SEP=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
right = 0 integer :: left, right
do while (verify(string(right+1:),SEP)>0) allocate(IIO_stringPos(1), source=0)
left = right + verify(string(right+1:),SEP) right = 0
right = left + scan(string(left:),SEP) - 2
IIO_stringPos = [IIO_stringPos,int(left, pInt), int(right, pInt)] do while (verify(string(right+1:),SEP)>0)
IIO_stringPos(1) = IIO_stringPos(1)+1_pInt left = right + verify(string(right+1:),SEP)
enddo right = left + scan(string(left:),SEP) - 2
IIO_stringPos = [IIO_stringPos,left, right]
IIO_stringPos(1) = IIO_stringPos(1)+1
enddo
end function IIO_stringPos end function IIO_stringPos

31
src/HDF5_utilities.f90
View File

@ -89,26 +89,27 @@ module HDF5_utilities
contains contains
subroutine HDF5_utilities_init subroutine HDF5_utilities_init
use, intrinsic :: &
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
implicit none implicit none
integer(HDF5_ERR_TYPE) :: hdferr integer(HDF5_ERR_TYPE) :: hdferr
integer(SIZE_T) :: typeSize integer(SIZE_T) :: typeSize
write(6,'(/,a)') ' <<<+- HDF5_Utilities init -+>>>' write(6,'(/,a)') ' <<<+- HDF5_Utilities init -+>>>'
#include "compilation_info.f90"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!initialize HDF5 library and check if integer and float type size match !initialize HDF5 library and check if integer and float type size match
call h5open_f(hdferr) call h5open_f(hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_Utilities_init: h5open_f') if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5open_f')
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)') call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
if (int(pInt,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pInt does not match H5T_NATIVE_INTEGER') if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr) if (int(bit_size(0),SIZE_T)/=typeSize*8) &
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)') call IO_error(0_pInt,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
if (int(pReal,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
if (int(storage_size(0.0_pReal),SIZE_T)/=typeSize*8) &
call IO_error(0,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
end subroutine HDF5_utilities_init end subroutine HDF5_utilities_init

6
src/constitutive.f90
View File

@ -755,8 +755,7 @@ end subroutine constitutive_hooke_SandItsTangents
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip, el) subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip, el)
use prec, only: & use prec, only: &
pReal, & pReal
pLongInt
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &
@ -896,8 +895,7 @@ end subroutine constitutive_collectDotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el) subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
use prec, only: & use prec, only: &
pReal, & pReal
pLongInt
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &

3
src/crystallite.f90
View File

@ -1088,8 +1088,7 @@ logical function integrateStress(&
) )
use, intrinsic :: & use, intrinsic :: &
IEEE_arithmetic IEEE_arithmetic
use prec, only: pLongInt, & use prec, only: tol_math_check, &
tol_math_check, &
dEq0 dEq0
use numerics, only: nStress, & use numerics, only: nStress, &
aTol_crystalliteStress, & aTol_crystalliteStress, &

3
src/debug.f90
View File

@ -8,8 +8,7 @@
module debug module debug
use prec, only: & use prec, only: &
pInt, & pInt, &
pReal, & pReal
pLongInt
implicit none implicit none
private private

1
src/material.f90
View File

@ -15,7 +15,6 @@ module material
tPlasticState, & tPlasticState, &
tSourceState, & tSourceState, &
tHomogMapping, & tHomogMapping, &
tPhaseMapping, &
group_float, & group_float, &
group_int group_int

297
src/prec.f90
View File

@ -7,94 +7,89 @@
!> @brief setting precision for real and int type !> @brief setting precision for real and int type
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module prec module prec
! ToDo: use, intrinsic :: iso_fortran_env, only : I8 => int64, WP => real64 use, intrinsic :: IEEE_arithmetic, only:&
implicit none IEEE_selected_real_kind
private
#if (FLOAT==8)
integer, parameter, public :: pReal = 8 !< floating point double precision (was selected_real_kind(15,300), number with 15 significant digits, up to 1e+-300)
#else
NO SUITABLE PRECISION FOR REAL SELECTED, STOPPING COMPILATION
#endif
#if (INT==4)
integer, parameter, public :: pInt = 4 !< integer representation 32 bit (was selected_int_kind(9), number with at least up to +- 1e9)
#elif (INT==8)
integer, parameter, public :: pInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12)
#else
NO SUITABLE PRECISION FOR INTEGER SELECTED, STOPPING COMPILATION
#endif
integer, parameter, public :: pStringLen = 256 !< default string lenth
integer, parameter, public :: pLongInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12)
real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
type, public :: group_float !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p
end type group_float
type, public :: group_int
integer(pInt), dimension(:), pointer :: p
end type group_int
!http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array
type, public :: tState
integer(pInt) :: &
sizeState = 0_pInt, & !< size of state
sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
offsetDeltaState = 0_pInt, & !< index offset of delta state
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
real(pReal), pointer, dimension(:), contiguous :: &
atolState
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
state0, &
state, & !< state
dotState, & !< rate of state change
deltaState !< increment of state change
real(pReal), allocatable, dimension(:,:) :: &
partionedState0, &
subState0, &
previousDotState, & !< state rate of previous xxxx
previousDotState2, & !< state rate two xxxx ago
RK4dotState
real(pReal), allocatable, dimension(:,:,:) :: &
RKCK45dotState
end type
type, extends(tState), public :: tPlasticState
integer(pInt) :: &
nSlip = 0_pInt , &
nTwin = 0_pInt, &
nTrans = 0_pInt
logical :: &
nonlocal = .false.
real(pReal), pointer, dimension(:,:) :: &
slipRate, & !< slip rate
accumulatedSlip !< accumulated plastic slip
end type
type, public :: tSourceState
type(tState), dimension(:), allocatable :: p !< tState for each active source mechanism in a phase
end type
type, public :: tHomogMapping implicit none
integer(pInt), pointer, dimension(:,:) :: p private
end type ! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds
type, public :: tPhaseMapping integer, parameter, public :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-300 (typically 64 bit)
integer(pInt), pointer, dimension(:,:,:) :: p #if(INT==8)
end type integer, parameter, public :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
#else
integer, parameter, public :: pInt = selected_int_kind(9) !< number with at least up to +-1e9 (typically 32 bit)
#endif
integer, parameter, public :: pLongInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
integer, parameter, public :: pStringLen = 256 !< default string length
public :: & real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
prec_init, &
dEq, &
dEq0, & type, public :: group_float !< variable length datatype used for storage of state
cEq, & real(pReal), dimension(:), pointer :: p
dNeq, & end type group_float
dNeq0, &
cNeq type, public :: group_int
integer(pInt), dimension(:), pointer :: p
end type group_int
! http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array
type, public :: tState
integer(pInt) :: &
sizeState = 0_pInt, & !< size of state
sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
offsetDeltaState = 0_pInt, & !< index offset of delta state
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
real(pReal), pointer, dimension(:), contiguous :: &
atolState
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
state0, &
state, & !< state
dotState, & !< rate of state change
deltaState !< increment of state change
real(pReal), allocatable, dimension(:,:) :: &
partionedState0, &
subState0, &
previousDotState, & !< state rate of previous xxxx
previousDotState2, & !< state rate two xxxx ago
RK4dotState
real(pReal), allocatable, dimension(:,:,:) :: &
RKCK45dotState
end type
type, extends(tState), public :: tPlasticState
integer(pInt) :: &
nSlip = 0_pInt , &
nTwin = 0_pInt, &
nTrans = 0_pInt
logical :: &
nonlocal = .false.
real(pReal), pointer, dimension(:,:) :: &
slipRate, & !< slip rate
accumulatedSlip !< accumulated plastic slip
end type
type, public :: tSourceState
type(tState), dimension(:), allocatable :: p !< tState for each active source mechanism in a phase
end type
type, public :: tHomogMapping
integer(pInt), pointer, dimension(:,:) :: p
end type
real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
public :: &
prec_init, &
dEq, &
dEq0, &
cEq, &
dNeq, &
dNeq0, &
cNeq
contains contains
@ -103,24 +98,24 @@ contains
!> @brief reporting precision !> @brief reporting precision
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine prec_init subroutine prec_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
implicit none implicit none
external :: & integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
quit
write(6,'(/,a)') ' <<<+- prec init -+>>>' external :: &
#include "compilation_info.f90" quit
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
realloc_lhs_test = [1_pInt,2_pInt] write(6,'(/,a)') ' <<<+- prec init -+>>>'
if (realloc_lhs_test(2)/=2_pInt) call quit(9000)
write(6,'(a,i3)') ' Size of integer in bit: ',bit_size(0_pInt)
write(6,'(a,i19)') ' Maximum value: ',huge(0_pInt)
write(6,'(/,a,i3)') ' Size of float in bit: ',storage_size(0.0_pReal)
write(6,'(a,e10.3)') ' Maximum value: ',huge(0.0_pReal)
write(6,'(a,e10.3)') ' Minimum value: ',tiny(0.0_pReal)
write(6,'(a,i3)') ' Decimal precision: ',precision(0.0_pReal)
realloc_lhs_test = [1_pInt,2_pInt]
if (realloc_lhs_test(2)/=2_pInt) call quit(9000)
end subroutine prec_init end subroutine prec_init
@ -133,12 +128,19 @@ end subroutine prec_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol) logical elemental pure function dEq(a,b,tol)
implicit none implicit none
real(pReal), intent(in) :: a,b real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_EPSILON * maxval(abs([a,b]))
endif
dEq = merge(.True.,.False.,abs(a-b) < eps)
dEq = merge(.True.,.False.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function dEq end function dEq
@ -150,12 +152,19 @@ end function dEq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq(a,b,tol) logical elemental pure function dNeq(a,b,tol)
implicit none implicit none
real(pReal), intent(in) :: a,b real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_EPSILON * maxval(abs([a,b]))
endif
dNeq = merge(.False.,.True.,abs(a-b) <= eps)
dNeq = merge(.False.,.True.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function dNeq end function dNeq
@ -167,12 +176,19 @@ end function dNeq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dEq0(a,tol) logical elemental pure function dEq0(a,tol)
implicit none implicit none
real(pReal), intent(in) :: a real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_MIN * 10.0_pReal
endif
dEq0 = merge(.True.,.False.,abs(a) < eps)
dEq0 = merge(.True.,.False.,abs(a) <= merge(tol,eps,present(tol)))
end function dEq0 end function dEq0
@ -184,12 +200,19 @@ end function dEq0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq0(a,tol) logical elemental pure function dNeq0(a,tol)
implicit none implicit none
real(pReal), intent(in) :: a real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_MIN * 10.0_pReal
endif
dNeq0 = merge(.False.,.True.,abs(a) <= eps)
dNeq0 = merge(.False.,.True.,abs(a) <= merge(tol,eps,present(tol)))
end function dNeq0 end function dNeq0
@ -202,12 +225,19 @@ end function dNeq0
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function cEq(a,b,tol) logical elemental pure function cEq(a,b,tol)
implicit none implicit none
complex(pReal), intent(in) :: a,b complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_EPSILON * maxval(abs([a,b]))
endif
cEq = merge(.True.,.False.,abs(a-b) < eps)
cEq = merge(.True.,.False.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function cEq end function cEq
@ -220,12 +250,19 @@ end function cEq
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical elemental pure function cNeq(a,b,tol) logical elemental pure function cNeq(a,b,tol)
implicit none implicit none
complex(pReal), intent(in) :: a,b complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C real(pReal) :: eps
if (present(tol)) then
eps = tol
else
eps = PREAL_EPSILON * maxval(abs([a,b]))
endif
cNeq = merge(.False.,.True.,abs(a-b) <= eps)
cNeq = merge(.False.,.True.,abs(a-b) <= merge(tol,eps,present(tol))*maxval(abs([a,b])))
end function cNeq end function cNeq
end module prec end module prec