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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
View File

@ -93,7 +93,7 @@ subroutine CPFEM_init
compiler_options
#endif
use prec, only: &
pInt, pReal, pLongInt
pInt, pReal
use IO, only: &
IO_timeStamp, &
IO_error

667
src/DAMASK_interface.f90
View File

@ -6,33 +6,33 @@
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK
!> @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.
!--------------------------------------------------------------------------------------------------
module DAMASK_interface
use prec, only: &
pInt
implicit none
private
logical, public, protected :: SIGUSR1,SIGUSR2
integer(pInt), public, protected :: &
interface_restartInc = 0_pInt !< Increment at which calculation starts
character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
implicit none
private
logical, public, protected :: &
SIGUSR1, & !< user-defined signal 1
SIGUSR2 !< user-defined signal 2
integer, public, protected :: &
interface_restartInc = 0 !< Increment at which calculation starts
character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
public :: &
getSolverJobName, &
DAMASK_interface_init
private :: &
setWorkingDirectory, &
getGeometryFile, &
getLoadCaseFile, &
rectifyPath, &
makeRelativePath, &
IIO_stringValue, &
IIO_intValue, &
IIO_stringPos
public :: &
getSolverJobName, &
DAMASK_interface_init
private :: &
setWorkingDirectory, &
getGeometryFile, &
getLoadCaseFile, &
rectifyPath, &
makeRelativePath, &
IIO_stringValue, &
IIO_intValue, &
IIO_stringPos
contains
!--------------------------------------------------------------------------------------------------
@ -40,10 +40,17 @@ contains
!! information on computation to screen
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init()
use, intrinsic :: &
iso_fortran_env
use :: &
iso_c_binding
use, intrinsic :: &
iso_fortran_env
use, intrinsic :: &
iso_c_binding
use PETScSys
use system_routines, only: &
signalusr1_C, &
signalusr2_C, &
getHostName, &
getCWD
#include <petsc/finclude/petscsys.h>
#if defined(__GFORTRAN__) && __GNUC__ < 5
===================================================================================================
@ -59,13 +66,13 @@ subroutine DAMASK_interface_init()
#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 ========================
===================================================================================================
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
@ -81,175 +88,168 @@ subroutine DAMASK_interface_init()
===================================================================================================
#endif
use PETScSys
use system_routines, only: &
signalusr1_C, &
signalusr2_C, &
getHostName, &
getCWD
implicit none
character(len=1024) :: &
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, &
implicit none
character(len=1024) :: &
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
threadLevel, &
threadLevel, &
#endif
worldrank = 0, &
worldsize = 0
integer, allocatable, dimension(:) :: &
chunkPos
integer, dimension(8) :: &
dateAndTime ! type default integer
PetscErrorCode :: ierr
external :: &
quit
worldrank = 0, &
worldsize = 0
integer, allocatable, dimension(:) :: &
chunkPos
integer, dimension(8) :: &
dateAndTime
PetscErrorCode :: ierr
external :: &
quit
open(6, encoding='UTF-8') ! for special characters in output
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
! 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)
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 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)
endif
if (error_unit /= 0) then
write(output_unit,'(a)') ' STDERR != 0'
call quit(1)
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_interface init -+>>>'
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'
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
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,/)') ' 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
write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options()
write(6,*) 'Compiled with: ', compiler_version()
write(6,*) 'Compiler options: ', compiler_options()
#elif defined(__INTEL_COMPILER)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
#endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
call get_command(commandLine)
chunkPos = IIO_stringPos(commandLine)
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
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)
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
call get_command(commandLine)
chunkPos = IIO_stringPos(commandLine)
do i = 2, 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) ! 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))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
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)
endif
call get_environment_variable('USER',userName)
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
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(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 get_environment_variable('USER',userName)
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
call signalusr1_c(c_funloc(setSIGUSR1))
call signalusr2_c(c_funloc(setSIGUSR2))
SIGUSR1 = .false.
SIGUSR2 = .false.
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)') ' 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
@ -260,29 +260,29 @@ end subroutine DAMASK_interface_init
!! possibly converting relative arguments to absolut path
!--------------------------------------------------------------------------------------------------
subroutine setWorkingDirectory(workingDirectoryArg)
use system_routines, only: &
getCWD, &
setCWD
use system_routines, only: &
getCWD, &
setCWD
implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=1024) :: workingDirectory !< working directory argument
logical :: error
external :: quit
implicit none
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=1024) :: workingDirectory !< working directory argument
logical :: error
external :: quit
absolutePath: if (workingDirectoryArg(1:1) == '/') then
workingDirectory = workingDirectoryArg
else absolutePath
workingDirectory = getCWD()
workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg
endif absolutePath
absolutePath: if (workingDirectoryArg(1:1) == '/') then
workingDirectory = workingDirectoryArg
else absolutePath
workingDirectory = getCWD()
workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg
endif absolutePath
workingDirectory = trim(rectifyPath(workingDirectory))
error = setCWD(trim(workingDirectory))
if(error) then
write(6,'(a20,a,a16)') ' working directory "',trim(workingDirectory),'" does not exist'
call quit(1_pInt)
endif
workingDirectory = trim(rectifyPath(workingDirectory))
error = setCWD(trim(workingDirectory))
if(error) then
write(6,'(a20,a,a16)') ' Working directory "',trim(workingDirectory),'" does not exist'
call quit(1)
endif
end subroutine setWorkingDirectory
@ -292,22 +292,22 @@ end subroutine setWorkingDirectory
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName()
implicit none
integer :: posExt,posSep
character(len=1024) :: tempString
implicit none
integer :: posExt,posSep
character(len=1024) :: tempString
tempString = geometryFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
tempString = geometryFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = tempString(posSep+1:posExt-1)
getSolverJobName = tempString(posSep+1:posExt-1)
tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,'/',back=.true.)
tempString = loadCaseFile
posExt = 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
@ -316,23 +316,23 @@ end function getSolverJobName
!> @brief basename of geometry file with extension from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter)
use system_routines, only: &
getCWD
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: geometryParameter
logical :: file_exists
external :: quit
implicit none
character(len=1024), intent(in) :: geometryParameter
logical :: file_exists
external :: quit
getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(a)') ' Geometry file does not exists ('//trim(getGeometryFile)//')'
call quit(1_pInt)
endif
inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(a)') ' Geometry file does not exists ('//trim(getGeometryFile)//')'
call quit(1)
endif
end function getGeometryFile
@ -341,23 +341,23 @@ end function getGeometryFile
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter)
use system_routines, only: &
getCWD
use system_routines, only: &
getCWD
implicit none
character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists
external :: quit
implicit none
character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists
external :: quit
getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(a)') ' Geometry file does not exists ('//trim(getLoadCaseFile)//')'
call quit(1_pInt)
endif
inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(a)') ' Load case file does not exists ('//trim(getLoadCaseFile)//')'
call quit(1)
endif
end function getLoadCaseFile
@ -368,162 +368,163 @@ end function getLoadCaseFile
!--------------------------------------------------------------------------------------------------
function rectifyPath(path)
implicit none
character(len=*) :: path
character(len=1024) :: rectifyPath
integer :: i,j,k,l ! no pInt
implicit none
character(len=*) :: path
character(len=1024) :: rectifyPath
integer :: i,j,k,l
!--------------------------------------------------------------------------------------------------
! remove /./ from path
rectifyPath = trim(path)
l = len_trim(rectifyPath)
do i = l,3,-1
if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
enddo
rectifyPath = trim(path)
l = len_trim(rectifyPath)
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(rectifyPath)
do i = l,2,-1
if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' '
enddo
l = len_trim(rectifyPath)
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 = '/'
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
implicit none
character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes
posLastCommonSlash = 0
remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
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
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))
makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned))
end function makeRelativePath
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR1 to .true. if program receives SIGUSR1
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR1(signal) bind(C)
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGUSR1 = .true.
write(6,*) 'received signal ',signal, 'set SIGUSR1'
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGUSR1 = .true.
write(6,*) 'received signal ',signal, 'set SIGUSR1'
end subroutine setSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR2(signal) bind(C)
use :: iso_c_binding
use :: iso_c_binding
implicit none
integer(C_INT), value :: signal
SIGUSR2 = .true.
implicit none
integer(C_INT), value :: signal
SIGUSR2 = .true.
write(6,*) 'received signal ',signal, 'set SIGUSR2'
write(6,*) 'received signal ',signal, 'set SIGUSR2'
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)
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
!--------------------------------------------------------------------------------------------------
!> @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)
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
integer 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, intent(in) :: myChunk !< position number of desired sub 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
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)
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1) then
IIO_intValue = 0
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)
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)
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)
implicit none
integer, dimension(:), allocatable :: IIO_stringPos
character(len=*), intent(in) :: string !< string in which chunks are searched for
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
IIO_stringPos = [IIO_stringPos,int(left, pInt), int(right, pInt)]
IIO_stringPos(1) = IIO_stringPos(1)+1_pInt
enddo
character(len=*), parameter :: SEP=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
integer :: left, right
allocate(IIO_stringPos(1), source=0)
right = 0
do while (verify(string(right+1:),SEP)>0)
left = right + verify(string(right+1:),SEP)
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

31
src/HDF5_utilities.f90
View File

@ -89,26 +89,27 @@ module HDF5_utilities
contains
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
integer(HDF5_ERR_TYPE) :: hdferr
integer(SIZE_T) :: typeSize
implicit none
integer(HDF5_ERR_TYPE) :: hdferr
integer(SIZE_T) :: typeSize
write(6,'(/,a)') ' <<<+- HDF5_Utilities init -+>>>'
#include "compilation_info.f90"
write(6,'(/,a)') ' <<<+- HDF5_Utilities init -+>>>'
!--------------------------------------------------------------------------------------------------
!initialize HDF5 library and check if integer and float type size match
call h5open_f(hdferr)
if (hdferr < 0) call IO_error(1_pInt,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)')
if (int(pInt,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pInt does not match H5T_NATIVE_INTEGER')
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
if (int(pReal,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
call h5open_f(hdferr)
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,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
call IO_error(0_pInt,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
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

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

3
src/crystallite.f90
View File

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

3
src/debug.f90
View File

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

1
src/material.f90
View File

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

297
src/prec.f90
View File

@ -7,94 +7,89 @@
!> @brief setting precision for real and int type
!--------------------------------------------------------------------------------------------------
module prec
! ToDo: use, intrinsic :: iso_fortran_env, only : I8 => int64, WP => real64
implicit none
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
use, intrinsic :: IEEE_arithmetic, only:&
IEEE_selected_real_kind
type, public :: tHomogMapping
integer(pInt), pointer, dimension(:,:) :: p
end type
implicit none
private
! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds
type, public :: tPhaseMapping
integer(pInt), pointer, dimension(:,:,:) :: p
end type
integer, parameter, public :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-300 (typically 64 bit)
#if(INT==8)
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 :: &
prec_init, &
dEq, &
dEq0, &
cEq, &
dNeq, &
dNeq0, &
cNeq
real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
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
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
@ -103,24 +98,24 @@ contains
!> @brief reporting precision
!--------------------------------------------------------------------------------------------------
subroutine prec_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
implicit none
external :: &
quit
implicit none
integer(pInt), allocatable, dimension(:) :: realloc_lhs_test
write(6,'(/,a)') ' <<<+- prec init -+>>>'
#include "compilation_info.f90"
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
external :: &
quit
realloc_lhs_test = [1_pInt,2_pInt]
if (realloc_lhs_test(2)/=2_pInt) call quit(9000)
write(6,'(/,a)') ' <<<+- prec init -+>>>'
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
@ -133,12 +128,19 @@ end subroutine prec_init
!--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol)
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
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
@ -150,12 +152,19 @@ end function dEq
!--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq(a,b,tol)
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
implicit none
real(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
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
@ -167,12 +176,19 @@ end function dNeq
!--------------------------------------------------------------------------------------------------
logical elemental pure function dEq0(a,tol)
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
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
@ -184,12 +200,19 @@ end function dEq0
!--------------------------------------------------------------------------------------------------
logical elemental pure function dNeq0(a,tol)
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: tol
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
@ -202,12 +225,19 @@ end function dNeq0
!--------------------------------------------------------------------------------------------------
logical elemental pure function cEq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
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
@ -220,12 +250,19 @@ end function cEq
!--------------------------------------------------------------------------------------------------
logical elemental pure function cNeq(a,b,tol)
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
implicit none
complex(pReal), intent(in) :: a,b
real(pReal), intent(in), optional :: tol
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 module prec