added error for to IO to substitute stop statement in kdtree2
explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
This commit is contained in:
parent
9b17015b5a
commit
d00c3c9e19
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@ -1,7 +1,7 @@
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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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! the Düsseldorf Advanced Material Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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@ -16,39 +16,60 @@
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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!--------------------------------------------------------------------------------------------------
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!* $Id$
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Interfacing between the spectral solver and the material subroutines provided
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!! by DAMASK
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!--------------------------------------------------------------------------------------------------
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module DAMASK_interface
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MODULE DAMASK_interface
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implicit none
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private
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character(len=64), parameter, public :: FEsolver = 'Spectral' !> Keyword for spectral solver
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character(len=5), parameter, public :: inputFileExtension = '.geom' !> File extension for geometry description
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character(len=4), parameter, public :: logFileExtension = '.log' !> Dummy variable as the spectral solver has no log
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character(len=1024), private :: geometryParameter, &
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loadcaseParameter
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character(len=64), parameter :: FEsolver = 'Spectral'
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character(len=5), parameter :: InputFileExtension = '.geom'
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character(len=4), parameter :: LogFileExtension = '.log' !until now, we don't have a log file. But IO.f90 requires it
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character(len=1024) :: geometryParameter,loadcaseParameter
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CONTAINS
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public :: getSolverWorkingDirectoryName, &
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getSolverJobName, &
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getLoadCase, &
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getLoadCaseName, &
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getModelName, &
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DAMASK_interface_init
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private :: rectifyPath, &
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makeRelativePath, &
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getPathSep
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief Initializes the solver by interpreting the command line arguments. Also writes
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!! information on computation on screen
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!--------------------------------------------------------------------------------------------------
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subroutine DAMASK_interface_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: pInt
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!********************************************************************
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! initialize interface module
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!
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!********************************************************************
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subroutine DAMASK_interface_init()
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: pInt
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implicit none
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character(len=1024) commandLine, hostName, userName
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integer :: i, start = 0, length=0
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integer, dimension(8) :: date_and_time_values ! type default integer
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character(len=1024) :: commandLine, & !> command line call as string
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hostName, & !> name of computer
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userName !> name of user calling the executable
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integer :: i, &
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start = 0,&
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length=0
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integer, dimension(8) :: dateAndTime ! type default integer
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call get_command(commandLine)
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call DATE_AND_TIME(VALUES=date_and_time_values)
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do i=1,len(commandLine) ! remove capitals
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if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) = &
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achar(iachar(commandLine(i:i))+32)
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call date_and_time(values = dateAndTime)
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do i = 1,len(commandLine) ! remove capitals
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if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) &
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commandLine(i:i) = achar(iachar(commandLine(i:i))+32)
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enddo
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if(index(commandLine,' -h ',.true.)>0 .or. index(commandLine,' --help ',.true.)>0) then ! search for ' -h ' or '--help'
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if(index(commandLine,' -h ',.true.) > 0 .or. index(commandLine,' --help ',.true.) > 0) then ! search for ' -h ' or '--help'
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write(6,*) '$Id$'
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#include "compilation_info.f90"
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print '(a)', '#############################################################'
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@ -146,12 +167,12 @@ subroutine DAMASK_interface_init()
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write(6,*) '<<<+- DAMASK_spectral_interface init -+>>>'
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write(6,*) '$Id$'
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#include "compilation_info.f90"
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write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',date_and_time_values(3),'/',&
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date_and_time_values(2),'/',&
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date_and_time_values(1)
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write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',date_and_time_values(5),':',&
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date_and_time_values(6),':',&
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date_and_time_values(7)
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write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
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dateAndTime(2),'/',&
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dateAndTime(1)
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write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
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dateAndTime(6),':',&
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dateAndTime(7)
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write(6,*) 'Host Name: ', trim(hostName)
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write(6,*) 'User Name: ', trim(userName)
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write(6,*) 'Path Separator: ', getPathSep()
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write(6,*) 'Loadcase Parameter: ', trim(loadcaseParameter)
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if (start/=3_pInt) write(6,*) 'Restart Parameter: ', trim(commandLine(start:start+length))
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endsubroutine DAMASK_interface_init
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end subroutine DAMASK_interface_init
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!********************************************************************
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! extract working directory from loadcase file
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! possibly based on current working dir
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief extract working directory from loadcase file possibly based on current working dir
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!--------------------------------------------------------------------------------------------------
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function getSolverWorkingDirectoryName()
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implicit none
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character(len=1024) cwd,getSolverWorkingDirectoryName
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character(len=1024) :: cwd, getSolverWorkingDirectoryName
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character :: pathSep
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pathSep = getPathSep()
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getSolverWorkingDirectoryName = rectifyPath(getSolverWorkingDirectoryName)
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endfunction getSolverWorkingDirectoryName
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end function getSolverWorkingDirectoryName
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!********************************************************************
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! basename of geometry file from command line arguments
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!
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!********************************************************************
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function getSolverJobName()
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!--------------------------------------------------------------------------------------------------
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!> @brief basename of geometry file from command line arguments
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getSolverJobName()
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implicit none
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character(1024) :: getSolverJobName
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getSolverJobName = trim(getModelName())//'_'//trim(getLoadCase())
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endfunction getSolverJobName
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end function getSolverJobName
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!********************************************************************
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! basename of geometry file from command line arguments
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!
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!********************************************************************
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function getModelName()
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!--------------------------------------------------------------------------------------------------
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!> @brief basename of geometry file from command line arguments
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getModelName()
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use prec, only: pInt
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implicit none
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character(1024) getModelName, cwd
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character(len=1024) :: cwd
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integer :: posExt,posSep
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character :: pathSep
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getModelName = makeRelativePath(getSolverWorkingDirectoryName(),&
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getModelName)
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endfunction getModelName
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end function getModelName
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!********************************************************************
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! name of load case file exluding extension
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!
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!********************************************************************
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function getLoadCase()
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!--------------------------------------------------------------------------------------------------
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!> @brief name of load case file exluding extension
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getLoadCase()
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implicit none
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character(1024) :: getLoadCase
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integer :: posExt,posSep
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character :: pathSep
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posExt = scan(loadcaseParameter,'.',back=.true.)
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posSep = scan(loadcaseParameter,pathSep,back=.true.)
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if (posExt <= posSep) posExt = len_trim(loadcaseParameter)+1 ! no extension present
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getLoadCase = loadcaseParameter(posSep+1:posExt-1) ! name of load case file exluding extension
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if (posExt <= posSep) posExt = len_trim(loadcaseParameter)+1 ! no extension present
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getLoadCase = loadcaseParameter(posSep+1:posExt-1) ! name of load case file exluding extension
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endfunction getLoadCase
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end function getLoadCase
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!********************************************************************
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! relative path of loadcase from command line arguments
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!
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!********************************************************************
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function getLoadcaseName()
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!--------------------------------------------------------------------------------------------------
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!> @brief relative path of loadcase from command line arguments
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getLoadcaseName()
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implicit none
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character(len=1024) :: getLoadcaseName,cwd
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character(len=1024) :: cwd
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integer :: posExt = 0, posSep
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character :: pathSep
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posExt = scan(getLoadcaseName,'.',back=.true.)
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posSep = scan(getLoadcaseName,pathSep,back=.true.)
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if (posExt <= posSep) getLoadcaseName = trim(getLoadcaseName)//('.load') ! no extension present
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if (scan(getLoadcaseName,pathSep) /= 1) then ! relative path given as command line argument
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if (posExt <= posSep) getLoadcaseName = trim(getLoadcaseName)//('.load') ! no extension present
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if (scan(getLoadcaseName,pathSep) /= 1) then ! relative path given as command line argument
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call getcwd(cwd)
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getLoadcaseName = rectifyPath(trim(cwd)//pathSep//getLoadcaseName)
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else
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getLoadcaseName = makeRelativePath(getSolverWorkingDirectoryName(),&
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getLoadcaseName)
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endfunction getLoadcaseName
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end function getLoadcaseName
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!********************************************************************
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! remove ../ and ./ from path
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!
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!********************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief remove ../ and ./ from path
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!--------------------------------------------------------------------------------------------------
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function rectifyPath(path)
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implicit none
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character(len=*) :: path
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character(len=len_trim(path)) :: rectifyPath
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character :: pathSep
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do while (i > j)
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j = scan(rectifyPath(1:i-2),pathSep,back=.true.)
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rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
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if (rectifyPath(j+1:j+1) == pathSep) then !search for '//' that appear in case of XXX/../../XXX
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if (rectifyPath(j+1:j+1) == pathSep) then !search for '//' that appear in case of XXX/../../XXX
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k = len_trim(rectifyPath)
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rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
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rectifyPath(k:k) = ' '
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enddo
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if(len_trim(rectifyPath) == 0) rectifyPath = pathSep
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end function rectifyPath
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end function rectifyPath
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!********************************************************************
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! relative path from absolute a to absolute b
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!
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!********************************************************************
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function makeRelativePath(a,b)
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!--------------------------------------------------------------------------------------------------
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!> @brief relative path from absolute a to absolute b
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function makeRelativePath(a,b)
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implicit none
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character (len=*) :: a,b
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character (len=1024) :: makeRelativePath
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character :: pathSep
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integer :: i,posLastCommonSlash,remainingSlashes !no pInt
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@ -353,18 +359,18 @@ function makeRelativePath(a,b)
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enddo
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makeRelativePath = repeat('..'//pathSep,remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
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endfunction makeRelativePath
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end function makeRelativePath
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!********************************************************************
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! counting / and \ in $PATH System variable
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! the character occuring more often is assumed to be the path separator
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!********************************************************************
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function getPathSep()
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!--------------------------------------------------------------------------------------------------
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!> @brief counting / and \ in $PATH System variable the character occuring more often is assumed
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!! to be the path separator
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!--------------------------------------------------------------------------------------------------
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character function getPathSep()
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use prec, only: pInt
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implicit none
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character :: getPathSep
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character(len=2048) path
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integer(pInt) :: backslash = 0_pInt, slash = 0_pInt
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integer :: i
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@ -383,4 +389,4 @@ function getPathSep()
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end function
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END MODULE
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end module
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1131
code/IO.f90
1131
code/IO.f90
File diff suppressed because it is too large
Load Diff
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@ -135,8 +135,7 @@ COMPILE_OPTIONS_ifort :=-fpp\
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-warn ignore_loc\
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-warn alignments\
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-warn unused\
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-warn errors\
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-warn stderrors
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-warn errors
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endif
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#-fpp: preprocessor
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@ -152,7 +151,7 @@ endif
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# alignments: data that is not naturally aligned
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# unused: declared variables that are never used
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# errors: warnings are changed to errors
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# stderrors: warnings about Fortran standard violations are changed to errors
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# stderrors: warnings about Fortran standard violations are changed to errors (STANDARD_CHECK)
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#
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###################################################################################################
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#MORE OPTIONS FOR DEBUGGING DURING COMPILING
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@ -182,7 +181,8 @@ endif
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###################################################################################################
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ifeq "$(FASTBUILD)" "YES"
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COMPILE_OPTIONS_gfortran :=-xf95-cpp-input
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COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-fno-range-check
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else
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COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-ffree-line-length-132\
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@ -205,7 +205,8 @@ COMPILE_OPTIONS_gfortran :=-xf95-cpp-input\
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-Wunsafe-loop-optimizations\
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-Wunused\
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-Wall\
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-Wextra
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-Wextra\
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-Wintrinsics-std
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endif
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#-xf95-cpp-input: preprocessor
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@ -231,20 +232,20 @@ endif
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# -value:
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# -parameter: find usused variables with "parameter" attribute
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#-Wextra:
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#-Wintrinsics-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers:
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###################################################################################################
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#OPTIONS FOR GFORTRAN 4.6
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#-Wsuggest-attribute=const:
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#-Wsuggest-attribute=noreturn:
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#-Wsuggest-attribute=pure:
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#-Wreal-q-constant: Warn about real-literal-constants with 'q' exponent-letter
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#
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#MORE OPTIONS FOR DEBUGGING DURING COMPILING
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#-Wline-truncation: too many warnings because we have comments beyond character 132
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#-Wintrinsic-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers:
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#-Warray-temporarieswarnings:
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# because we have many temporary arrays (performance issue?):
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#-Wimplicit-interface
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#-pedantic-errors
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#-fmodule-private
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#-Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
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#-Wimplicit-interface:
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#-pedantic-errors:
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#-fmodule-private:
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#
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#OPTIONS FOR DEGUBBING DURING RUNTIME
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#-fcheck-bounds: check if an array index is too small (<1) or too large!
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@ -264,7 +265,7 @@ COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o numerics.o debug.o math
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homogenization_RGC.o homogenization_isostrain.o homogenization.o CPFEM.o crystallite.o
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DAMASK_spectral.exe: DAMASK_spectral.o
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$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90))$(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
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$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
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-o DAMASK_spectral.exe DAMASK_spectral.o \
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$(COMPILED_FILES) $(LIB_DIRS) $(LIBRARIES) $(SUFFIX)
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3343
code/kdtree2.f90
3343
code/kdtree2.f90
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Load Diff
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@ -19,54 +19,57 @@
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!##############################################################
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!* $Id$
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!##############################################################
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MODULE prec
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module prec
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!##############################################################
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implicit none
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implicit none
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private
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! *** Precision of real and integer variables ***
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integer, parameter, public :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
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integer, parameter, public :: pInt = selected_int_kind(9) ! up to +- 1e9
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integer, parameter, public :: pLongInt = 8 ! should be 64bit
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real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal
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real(pReal), parameter, public :: tol_gravityNodePos = 1.0e-100_pReal
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integer, parameter, public :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
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integer, parameter, public :: pInt = selected_int_kind(9) ! up to +- 1e9
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||||
integer, parameter, public :: pLongInt = 8 ! should be 64bit
|
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real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal
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real(pReal), parameter, public :: tol_gravityNodePos = 1.0e-100_pReal
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! NaN is precision dependent
|
||||
! from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html
|
||||
! copy can be found in documentation/Code/Fortran
|
||||
#ifdef __INTEL_COMPILER
|
||||
#if __INTEL_COMPILER<1200
|
||||
real(pReal), parameter, public :: DAMASK_NaN = Z'7FF0000000000001'
|
||||
real(pReal), parameter, public :: DAMASK_NaN = Z'7FF0000000000001'
|
||||
#else
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF0000000000001', pReal)
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF0000000000001', pReal)
|
||||
#endif
|
||||
#else
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF0000000000001', pReal)
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF0000000000001', pReal)
|
||||
#endif
|
||||
type :: p_vec
|
||||
real(pReal), dimension(:), pointer :: p
|
||||
end type p_vec
|
||||
|
||||
CONTAINS
|
||||
type, public :: p_vec
|
||||
real(pReal), dimension(:), pointer :: p
|
||||
end type p_vec
|
||||
|
||||
public :: prec_init
|
||||
|
||||
contains
|
||||
|
||||
subroutine prec_init
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
implicit none
|
||||
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
|
||||
implicit none
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)
|
||||
write(6,*) '<<<+- prec init -+>>>'
|
||||
write(6,*) '$Id$'
|
||||
write(6,*)
|
||||
write(6,*) '<<<+- prec init -+>>>'
|
||||
write(6,*) '$Id$'
|
||||
#include "compilation_info.f90"
|
||||
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
|
||||
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
|
||||
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
|
||||
write(6,'(a,e10.3)') ' NaN: ',DAMASK_NAN
|
||||
write(6,'(a,l3)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN
|
||||
if (DAMASK_NaN == DAMASK_NaN) call quit(9000)
|
||||
write(6,*)
|
||||
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
|
||||
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
|
||||
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
|
||||
write(6,'(a,e10.3)') ' NaN: ',DAMASK_NAN
|
||||
write(6,'(a,l3)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN
|
||||
if (DAMASK_NaN == DAMASK_NaN) call quit(9000)
|
||||
write(6,*)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
end subroutine
|
||||
end subroutine prec_init
|
||||
|
||||
END MODULE prec
|
||||
end module prec
|
||||
|
|
|
@ -19,54 +19,58 @@
|
|||
!##############################################################
|
||||
!* $Id$
|
||||
!##############################################################
|
||||
MODULE prec
|
||||
module prec
|
||||
!##############################################################
|
||||
|
||||
implicit none
|
||||
|
||||
implicit none
|
||||
private
|
||||
! *** Precision of real and integer variables ***
|
||||
integer, parameter, public :: pReal = selected_real_kind(6,37) ! 6 significant digits, up to 1e+-37
|
||||
integer, parameter, public :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter, public :: pLongInt = 4 ! should be 64bit
|
||||
real(pReal), parameter, public :: tol_math_check = 1.0e-5_pReal
|
||||
real(pReal), parameter, public :: tol_gravityNodePos = 1.0e-36_pReal
|
||||
integer, parameter, public :: pReal = selected_real_kind(6,37) ! 6 significant digits, up to 1e+-37
|
||||
integer, parameter, public :: pInt = selected_int_kind(9) ! up to +- 1e9
|
||||
integer, parameter, public :: pLongInt = 4 ! should be 64bit
|
||||
real(pReal), parameter, public :: tol_math_check = 1.0e-5_pReal
|
||||
real(pReal), parameter, public :: tol_gravityNodePos = 1.0e-36_pReal
|
||||
|
||||
! NaN is precision dependent
|
||||
! from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html
|
||||
! copy can be found in documentation/Code/Fortran
|
||||
#ifdef __INTEL_COMPILER
|
||||
#if __INTEL_COMPILER<1200
|
||||
real(pReal), parameter, public :: DAMASK_NaN = Z'Z'7F800001', pReal'
|
||||
real(pReal), parameter, public :: DAMASK_NaN = Z'Z'7F800001', pReal'
|
||||
#else
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7F800001', pReal)
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7F800001', pReal)
|
||||
#endif
|
||||
#else
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7F800001', pReal)
|
||||
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7F800001', pReal)
|
||||
#endif
|
||||
type :: p_vec
|
||||
real(pReal), dimension(:), pointer :: p
|
||||
end type p_vec
|
||||
|
||||
CONTAINS
|
||||
type, public :: p_vec
|
||||
real(pReal), dimension(:), pointer :: p
|
||||
end type p_vec
|
||||
|
||||
public :: prec_init
|
||||
|
||||
contains
|
||||
|
||||
subroutine prec_init
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
implicit none
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
|
||||
implicit none
|
||||
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)
|
||||
write(6,*) '<<<+- prec_single init -+>>>'
|
||||
write(6,*) '$Id$'
|
||||
write(6,*)
|
||||
write(6,*) '<<<+- prec_single init -+>>>'
|
||||
write(6,*) '$Id$'
|
||||
#include "compilation_info.f90"
|
||||
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
|
||||
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
|
||||
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
|
||||
write(6,'(a,e10.3)') ' NaN: ',DAMASK_NAN
|
||||
write(6,'(a,l3)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN
|
||||
if (DAMASK_NaN == DAMASK_NaN) call quit(9000)
|
||||
write(6,*)
|
||||
write(6,'(a,i3)') ' Bytes for pReal: ',pReal
|
||||
write(6,'(a,i3)') ' Bytes for pInt: ',pInt
|
||||
write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt
|
||||
write(6,'(a,e10.3)') ' NaN: ',DAMASK_NAN
|
||||
write(6,'(a,l3)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN
|
||||
if (DAMASK_NaN == DAMASK_NaN) call quit(9000)
|
||||
write(6,*)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
end subroutine
|
||||
end subroutine prec_init
|
||||
|
||||
END MODULE prec
|
||||
end module prec
|
||||
|
|
Loading…
Reference in New Issue