Merge branch 'development' of magit1.mpie.de:damask/DAMASK into miscImprovements
This commit is contained in:
Martin Diehl
commit
9dea11f10e
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@ -0,0 +1,19 @@
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:: sets up an environment for DAMASK on Windows
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:: usage: call DAMASK_env.bat
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@echo off
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set LOCATION=%~dp0
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set DAMASK_ROOT=%LOCATION%\DAMASK
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set DAMASK_NUM_THREADS=2
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chcp 1252
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Title Düsseldorf Advanced Materials Simulation Kit - DAMASK, MPIE Düsseldorf
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echo.
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echo Düsseldorf Advanced Materials Simulation Kit - DAMASK
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echo Max-Planck-Institut für Eisenforschung, Düsseldorf
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echo http://damask.mpie.de
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echo.
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echo Preparing environment ...
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echo DAMASK_ROOT=%DAMASK_ROOT%
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echo DAMASK_NUM_THREADS=%DAMASK_NUM_THREADS%
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set DAMASK_BIN=%DAMASK_ROOT%\bin
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set PATH=%PATH%;%DAMASK_BIN%
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set PYTHONPATH=%PYTHONPATH%;%DAMASK_ROOT%\lib
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2
Makefile
2
Makefile
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@ -21,11 +21,11 @@ marc:
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processing:
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@if hash cython 2>/dev/null; then \
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cd ./lib/damask; \
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ln -s orientation.py corientation.pyx; \
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CC=gcc python setup_corientation.py build_ext --inplace; \
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rm -rv build; \
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rm *.c; \
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fi
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@./installation/compile_CoreModule.py ${MAKEFLAGS}
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.PHONY: tidy
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tidy:
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@ -617,12 +617,12 @@ program DAMASK_spectral
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timeinc = timeinc/2.0_pReal
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elseif (solres(1)%termIll) then ! material point model cannot find a solution, exit in any casy
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call IO_warning(850_pInt)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written (e.g. for regridding)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
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elseif (continueCalculation == 1_pInt) then
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guess = .true. ! accept non converged BVP solution
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else ! default behavior, exit if spectral solver does not converge
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call IO_warning(850_pInt)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written (e.g. for regridding)
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call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
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endif
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else
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guess = .true. ! start guessing after first converged (sub)inc
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@ -722,34 +722,29 @@ end program DAMASK_spectral
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!> @brief quit subroutine to mimic behavior of FEM solvers
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!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
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!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
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!> 2 signals request for regridding, increment of last saved restart information is written to
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!> 2 signals no converged solution and increment of last saved restart information is written to
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!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
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!--------------------------------------------------------------------------------------------------
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subroutine quit(stop_id)
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use prec, only: &
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pInt
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use numerics, only: &
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worldrank
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implicit none
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integer(pInt), intent(in) :: stop_id
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integer, dimension(8) :: dateAndTime ! type default integer
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if (worldrank == 0_pInt) then
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call date_and_time(values = dateAndTime)
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write(6,'(/,a)') 'DAMASK terminated on:'
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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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endif
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call date_and_time(values = dateAndTime)
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write(6,'(/,a)') 'DAMASK terminated on:'
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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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if (stop_id == 0_pInt) stop 0 ! normal termination
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if (stop_id < 0_pInt) then ! trigger regridding
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if (worldrank == 0_pInt) &
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write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
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if (stop_id < 0_pInt) then ! terminally ill, restart might help
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write(0,'(a,i6)') 'restart information available at ', stop_id*(-1_pInt)
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stop 2
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endif
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if (stop_id == 3_pInt) stop 3 ! not all incs converged
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|
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@ -72,11 +72,9 @@ subroutine FE_init
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integer(pInt), allocatable, dimension(:) :: chunkPos
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#endif
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mainProcess: if (worldrank == 0) then
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write(6,'(/,a)') ' <<<+- FEsolving init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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write(6,'(/,a)') ' <<<+- FEsolving init -+>>>'
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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endif mainProcess
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modelName = getSolverJobName()
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#ifdef Spectral
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@ -153,10 +151,6 @@ subroutine FE_init
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200 close(FILEUNIT)
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endif
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!--------------------------------------------------------------------------------------------------
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! the following array are allocated by mesh.f90 and need to be deallocated in case of regridding
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if (allocated(calcMode)) deallocate(calcMode)
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if (allocated(FEsolving_execIP)) deallocate(FEsolving_execIP)
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#endif
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if (iand(debug_level(debug_FEsolving),debug_levelBasic) /= 0_pInt) then
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write(6,'(a21,l1)') ' restart writing: ', restartWrite
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@ -1625,8 +1625,6 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
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msg = 'update of gamma operator not possible when pre-calculated'
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case (880_pInt)
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msg = 'mismatch of microstructure count and a*b*c in geom file'
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case (890_pInt)
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msg = 'invalid input for regridding'
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case (891_pInt)
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msg = 'unknown solver type selected'
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case (892_pInt)
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@ -351,7 +351,7 @@ DAMASK_spectral.o: INTERFACENAME := spectral_interface.f90
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SPECTRAL_SOLVER_FILES = spectral_mech_AL.o spectral_mech_Basic.o spectral_mech_Polarisation.o \
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spectral_thermal.o spectral_damage.o
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SPECTRAL_FILES = C_routines.o system_routines.o prec.o DAMASK_interface.o IO.o libs.o numerics.o debug.o math.o \
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SPECTRAL_FILES = C_routines.o system_routines.o prec.o DAMASK_interface.o IO.o numerics.o debug.o math.o \
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FEsolving.o mesh.o material.o lattice.o \
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$(SOURCE_FILES) $(KINEMATICS_FILES) $(PLASTIC_FILES) constitutive.o \
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crystallite.o \
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@ -401,7 +401,7 @@ DAMASK_FEM.exe: INCLUDE_DIRS += -I./
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FEM_SOLVER_FILES = FEM_mech.o FEM_thermal.o FEM_damage.o FEM_vacancyflux.o FEM_porosity.o FEM_hydrogenflux.o
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FEM_FILES = prec.o DAMASK_interface.o FEZoo.o IO.o libs.o numerics.o debug.o math.o \
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FEM_FILES = prec.o DAMASK_interface.o FEZoo.o IO.o numerics.o debug.o math.o \
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FEsolving.o mesh.o material.o lattice.o \
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$(SOURCE_FILES) $(KINEMATICS_FILES) $(PLASTIC_FILES) constitutive.o \
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crystallite.o \
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@ -612,9 +612,6 @@ debug.o: debug.f90 \
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numerics.o
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numerics.o: numerics.f90 \
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libs.o
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libs.o: libs.f90 \
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IO.o
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IO.o: IO.f90 \
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@ -4,7 +4,6 @@
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!> @details List of files needed by MSC.Marc, Abaqus/Explicit, and Abaqus/Standard
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!--------------------------------------------------------------------------------------------------
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#include "IO.f90"
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#include "libs.f90"
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#include "numerics.f90"
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#include "debug.f90"
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#include "math.f90"
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@ -1,12 +0,0 @@
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!********************************************************************
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! quit subroutine to satisfy IO_error for core module
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!
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!********************************************************************
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subroutine quit(stop_id)
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use prec, only: &
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pInt
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implicit none
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integer(pInt), intent(in) :: stop_id
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end subroutine
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@ -1,12 +0,0 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief dummy source for inclusion of Library files
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!--------------------------------------------------------------------------------------------------
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module libs
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!nothing in here
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end module libs
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#include "../lib/IR_Precision.f90"
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#include "../lib/Lib_Base64.f90"
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#include "../lib/Lib_VTK_IO.f90"
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@ -72,10 +72,6 @@ module math
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3_pInt,3_pInt &
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],[2,9]) !< arrangement in Plain notation
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||||
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#ifdef Spectral
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include 'fftw3.f03'
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#endif
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public :: &
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math_init, &
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math_qsort, &
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|
@ -163,21 +159,6 @@ module math
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math_rotate_forward33, &
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math_rotate_backward33, &
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math_rotate_forward3333
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#ifdef Spectral
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public :: &
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fftw_set_timelimit, &
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fftw_plan_dft_3d, &
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fftw_plan_many_dft_r2c, &
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fftw_plan_many_dft_c2r, &
|
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fftw_plan_with_nthreads, &
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fftw_init_threads, &
|
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fftw_alloc_complex, &
|
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fftw_execute_dft, &
|
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fftw_execute_dft_r2c, &
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fftw_execute_dft_c2r, &
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fftw_destroy_plan, &
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math_tensorAvg
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#endif
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private :: &
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math_partition, &
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halton, &
|
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|
|
|
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597
code/mesh.f90
597
code/mesh.f90
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|
@ -116,12 +116,8 @@ module mesh
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#endif
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#ifdef Spectral
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#ifdef PETSc
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#include <petsc/finclude/petscsys.h>
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include 'fftw3-mpi.f03'
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#else
|
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include 'fftw3.f03'
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#endif
|
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#endif
|
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|
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! These definitions should actually reside in the FE-solver specific part (different for MARC/ABAQUS)
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|
@ -413,18 +409,13 @@ module mesh
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mesh_build_ipVolumes, &
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mesh_build_ipCoordinates, &
|
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mesh_cellCenterCoordinates, &
|
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mesh_init_postprocessing, &
|
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mesh_get_Ncellnodes, &
|
||||
mesh_get_unitlength, &
|
||||
mesh_get_nodeAtIP
|
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#ifdef Spectral
|
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public :: &
|
||||
mesh_spectral_getGrid, &
|
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mesh_spectral_getSize, &
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||||
mesh_nodesAroundCentres, &
|
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mesh_deformedCoordsFFT, &
|
||||
mesh_volumeMismatch, &
|
||||
mesh_shapeMismatch
|
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mesh_spectral_getSize
|
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#endif
|
||||
|
||||
private :: &
|
||||
|
|
@ -436,8 +427,7 @@ module mesh
|
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mesh_spectral_build_nodes, &
|
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mesh_spectral_build_elements, &
|
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mesh_spectral_build_ipNeighborhood, &
|
||||
#endif
|
||||
#ifdef Marc4DAMASK
|
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#elif defined Marc4DAMASK
|
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mesh_marc_get_tableStyles, &
|
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mesh_marc_count_nodesAndElements, &
|
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mesh_marc_count_elementSets, &
|
||||
|
|
@ -448,8 +438,7 @@ module mesh
|
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mesh_marc_build_nodes, &
|
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mesh_marc_count_cpSizes, &
|
||||
mesh_marc_build_elements, &
|
||||
#endif
|
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#ifdef Abaqus
|
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#elif defined Abaqus
|
||||
mesh_abaqus_count_nodesAndElements, &
|
||||
mesh_abaqus_count_elementSets, &
|
||||
mesh_abaqus_count_materials, &
|
||||
|
|
@ -473,11 +462,7 @@ module mesh
|
|||
mesh_tell_statistics, &
|
||||
FE_mapElemtype, &
|
||||
mesh_faceMatch, &
|
||||
mesh_build_FEdata, &
|
||||
mesh_write_cellGeom, &
|
||||
mesh_write_elemGeom, &
|
||||
mesh_write_meshfile, &
|
||||
mesh_read_meshfile
|
||||
mesh_build_FEdata
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -487,9 +472,7 @@ contains
|
|||
!! Order and routines strongly depend on type of solver
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_init(ip,el)
|
||||
#ifdef Spectral
|
||||
use, intrinsic :: iso_c_binding
|
||||
#endif
|
||||
use DAMASK_interface
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use IO, only: &
|
||||
|
|
@ -531,11 +514,9 @@ subroutine mesh_init(ip,el)
|
|||
integer(pInt) :: j
|
||||
logical :: myDebug
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
if (allocated(mesh_mapFEtoCPelem)) deallocate(mesh_mapFEtoCPelem)
|
||||
if (allocated(mesh_mapFEtoCPnode)) deallocate(mesh_mapFEtoCPnode)
|
||||
|
|
@ -562,25 +543,18 @@ subroutine mesh_init(ip,el)
|
|||
myDebug = (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt)
|
||||
|
||||
#ifdef Spectral
|
||||
#ifdef PETSc
|
||||
call fftw_mpi_init()
|
||||
#endif
|
||||
call IO_open_file(FILEUNIT,geometryFile) ! parse info from geometry file...
|
||||
if (myDebug) write(6,'(a)') ' Opened geometry file'; flush(6)
|
||||
grid = mesh_spectral_getGrid(fileUnit)
|
||||
geomSize = mesh_spectral_getSize(fileUnit)
|
||||
|
||||
#ifdef PETSc
|
||||
gridMPI = int(grid,C_INTPTR_T)
|
||||
alloc_local = fftw_mpi_local_size_3d(gridMPI(3), gridMPI(2), gridMPI(1)/2 +1, &
|
||||
MPI_COMM_WORLD, local_K, local_K_offset)
|
||||
grid3 = int(local_K,pInt)
|
||||
grid3Offset = int(local_K_offset,pInt)
|
||||
|
||||
size3 = geomSize(3)*real(grid3,pReal) /real(grid(3),pReal)
|
||||
size3Offset = geomSize(3)*real(grid3Offset,pReal)/real(grid(3),pReal)
|
||||
#endif
|
||||
|
||||
if (myDebug) write(6,'(a)') ' Grid partitioned'; flush(6)
|
||||
call mesh_spectral_count()
|
||||
if (myDebug) write(6,'(a)') ' Counted nodes/elements'; flush(6)
|
||||
|
|
@ -592,8 +566,7 @@ subroutine mesh_init(ip,el)
|
|||
if (myDebug) write(6,'(a)') ' Built nodes'; flush(6)
|
||||
call mesh_spectral_build_elements(FILEUNIT)
|
||||
if (myDebug) write(6,'(a)') ' Built elements'; flush(6)
|
||||
#endif
|
||||
#ifdef Marc4DAMASK
|
||||
#elif defined Marc4DAMASK
|
||||
call IO_open_inputFile(FILEUNIT,modelName) ! parse info from input file...
|
||||
if (myDebug) write(6,'(a)') ' Opened input file'; flush(6)
|
||||
call mesh_marc_get_tableStyles(FILEUNIT)
|
||||
|
|
@ -616,8 +589,7 @@ subroutine mesh_init(ip,el)
|
|||
if (myDebug) write(6,'(a)') ' Counted CP sizes'; flush(6)
|
||||
call mesh_marc_build_elements(FILEUNIT)
|
||||
if (myDebug) write(6,'(a)') ' Built elements'; flush(6)
|
||||
#endif
|
||||
#ifdef Abaqus
|
||||
#elif defined Abaqus
|
||||
call IO_open_inputFile(FILEUNIT,modelName) ! parse info from input file...
|
||||
if (myDebug) write(6,'(a)') ' Opened input file'; flush(6)
|
||||
noPart = IO_abaqus_hasNoPart(FILEUNIT)
|
||||
|
|
@ -666,15 +638,12 @@ subroutine mesh_init(ip,el)
|
|||
if (myDebug) write(6,'(a)') ' Built shared elements'; flush(6)
|
||||
call mesh_build_ipNeighborhood
|
||||
#else
|
||||
call mesh_spectral_build_ipNeighborhood(FILEUNIT)
|
||||
call mesh_spectral_build_ipNeighborhood
|
||||
#endif
|
||||
if (myDebug) write(6,'(a)') ' Built IP neighborhood'; flush(6)
|
||||
|
||||
if (worldrank == 0_pInt) then
|
||||
call mesh_tell_statistics
|
||||
call mesh_write_meshfile
|
||||
call mesh_write_cellGeom
|
||||
call mesh_write_elemGeom
|
||||
endif
|
||||
|
||||
if (usePingPong .and. (mesh_Nelems /= mesh_NcpElems)) &
|
||||
|
|
@ -963,7 +932,7 @@ subroutine mesh_build_ipCoordinates
|
|||
do n = 1_pInt,FE_NcellnodesPerCell(c) ! loop over cell nodes in this cell
|
||||
myCoords = myCoords + mesh_cellnode(1:3,mesh_cell(n,i,e))
|
||||
enddo
|
||||
mesh_ipCoordinates(1:3,i,e) = myCoords / real(FE_NcellnodesPerCell(c),pReal)
|
||||
mesh_ipCoordinates(1:3,i,e) = myCoords / FE_NcellnodesPerCell(c)
|
||||
enddo
|
||||
enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
|
@ -990,7 +959,7 @@ pure function mesh_cellCenterCoordinates(ip,el)
|
|||
do n = 1_pInt,FE_NcellnodesPerCell(c) ! loop over cell nodes in this cell
|
||||
mesh_cellCenterCoordinates = mesh_cellCenterCoordinates + mesh_cellnode(1:3,mesh_cell(n,ip,el))
|
||||
enddo
|
||||
mesh_cellCenterCoordinates = mesh_cellCenterCoordinates / real(FE_NcellnodesPerCell(c),pReal)
|
||||
mesh_cellCenterCoordinates = mesh_cellCenterCoordinates / FE_NcellnodesPerCell(c)
|
||||
|
||||
end function mesh_cellCenterCoordinates
|
||||
|
||||
|
|
@ -1417,11 +1386,9 @@ end subroutine mesh_spectral_build_elements
|
|||
!> @brief build neighborhood relations for spectral
|
||||
!> @details assign globals: mesh_ipNeighborhood
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_spectral_build_ipNeighborhood(fileUnit)
|
||||
subroutine mesh_spectral_build_ipNeighborhood
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
fileUnit
|
||||
integer(pInt) :: &
|
||||
x,y,z, &
|
||||
e
|
||||
|
|
@ -1558,332 +1525,8 @@ function mesh_nodesAroundCentres(gDim,Favg,centres) result(nodes)
|
|||
nodes = nodes/8.0_pReal
|
||||
|
||||
end function mesh_nodesAroundCentres
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculate coordinates in current configuration for given defgrad
|
||||
! using integration in Fourier space
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function mesh_deformedCoordsFFT(gDim,F,FavgIn,scalingIn) result(coords)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use numerics, only: &
|
||||
fftw_timelimit, &
|
||||
fftw_planner_flag
|
||||
use debug, only: &
|
||||
debug_mesh, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
PI, &
|
||||
math_mul33x3
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in), dimension(:,:,:,:,:) :: F
|
||||
real(pReal), dimension(3,size(F,3),size(F,4),size(F,5)) :: coords
|
||||
real(pReal), intent(in), dimension(3) :: gDim
|
||||
real(pReal), intent(in), dimension(3,3), optional :: FavgIn
|
||||
real(pReal), intent(in), dimension(3), optional :: scalingIn
|
||||
|
||||
! allocatable arrays for fftw c routines
|
||||
type(C_PTR) :: planForth, planBack
|
||||
type(C_PTR) :: coords_fftw, defgrad_fftw
|
||||
real(pReal), dimension(:,:,:,:,:), pointer :: F_real
|
||||
complex(pReal), dimension(:,:,:,:,:), pointer :: F_fourier
|
||||
real(pReal), dimension(:,:,:,:), pointer :: coords_real
|
||||
complex(pReal), dimension(:,:,:,:), pointer :: coords_fourier
|
||||
! other variables
|
||||
integer(pInt) :: i, j, k, m, res1Red
|
||||
integer(pInt), dimension(3) :: k_s, iRes
|
||||
real(pReal), dimension(3) :: scaling, step, offset_coords, integrator
|
||||
real(pReal), dimension(3,3) :: Favg
|
||||
integer(pInt), dimension(2:3,2) :: Nyquist ! highest frequencies to be removed (1 if even, 2 if odd)
|
||||
|
||||
if (present(scalingIn)) then
|
||||
where (scalingIn < 0.0_pReal) ! invalid values. in case of f2py -1 if not present
|
||||
scaling = [1.0_pReal,1.0_pReal,1.0_pReal]
|
||||
elsewhere
|
||||
scaling = scalingIn
|
||||
end where
|
||||
else
|
||||
scaling = 1.0_pReal
|
||||
endif
|
||||
|
||||
iRes = [size(F,3),size(F,4),size(F,5)]
|
||||
integrator = gDim / 2.0_pReal / PI ! see notes where it is used
|
||||
res1Red = iRes(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
|
||||
step = gDim/real(iRes, pReal)
|
||||
Nyquist(2,1:2) = [iRes(2)/2_pInt + 1_pInt, iRes(2)/2_pInt + 1_pInt + mod(iRes(2),2_pInt)]
|
||||
Nyquist(3,1:2) = [iRes(3)/2_pInt + 1_pInt, iRes(3)/2_pInt + 1_pInt + mod(iRes(3),2_pInt)]
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report
|
||||
if (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a)') ' Restore geometry using FFT-based integration'
|
||||
write(6,'(a,3(i12 ))') ' grid a b c: ', iRes
|
||||
write(6,'(a,3(es12.5))') ' size x y z: ', gDim
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity check
|
||||
if (pReal /= C_DOUBLE .or. pInt /= C_INT) &
|
||||
call IO_error(0_pInt,ext_msg='Fortran to C in mesh_deformedCoordsFFT')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocation and FFTW initialization
|
||||
defgrad_fftw = fftw_alloc_complex(int(res1Red *iRes(2)*iRes(3)*9_pInt,C_SIZE_T)) ! C_SIZE_T is of type integer(8)
|
||||
coords_fftw = fftw_alloc_complex(int(res1Red *iRes(2)*iRes(3)*3_pInt,C_SIZE_T)) ! C_SIZE_T is of type integer(8)
|
||||
call c_f_pointer(defgrad_fftw, F_real, &
|
||||
[iRes(1)+2_pInt-mod(iRes(1),2_pInt),iRes(2),iRes(3),3_pInt,3_pInt])
|
||||
call c_f_pointer(defgrad_fftw, F_fourier, &
|
||||
[res1Red, iRes(2),iRes(3),3_pInt,3_pInt])
|
||||
call c_f_pointer(coords_fftw, coords_real, &
|
||||
[iRes(1)+2_pInt-mod(iRes(1),2_pInt),iRes(2),iRes(3),3_pInt])
|
||||
call c_f_pointer(coords_fftw, coords_fourier, &
|
||||
[res1Red, iRes(2),iRes(3),3_pInt])
|
||||
|
||||
call fftw_set_timelimit(fftw_timelimit)
|
||||
planForth = fftw_plan_many_dft_r2c(3_pInt,[iRes(3),iRes(2) ,iRes(1)],9_pInt,& ! dimensions , length in each dimension in reversed order
|
||||
F_real,[iRes(3),iRes(2) ,iRes(1)+2_pInt-mod(iRes(1),2_pInt)],& ! input data , physical length in each dimension in reversed order
|
||||
1_pInt, iRes(3)*iRes(2)*(iRes(1)+2_pInt-mod(iRes(1),2_pInt)),& ! striding , product of physical lenght in the 3 dimensions
|
||||
F_fourier,[iRes(3),iRes(2) ,res1Red],&
|
||||
1_pInt, iRes(3)*iRes(2)* res1Red,fftw_planner_flag)
|
||||
|
||||
planBack = fftw_plan_many_dft_c2r(3_pInt,[iRes(3),iRes(2) ,iRes(1)],3_pInt,&
|
||||
coords_fourier,[iRes(3),iRes(2) ,res1Red],&
|
||||
1_pInt, iRes(3)*iRes(2)* res1Red,&
|
||||
coords_real,[iRes(3),iRes(2) ,iRes(1)+2_pInt-mod(iRes(1),2_pInt)],&
|
||||
1_pInt, iRes(3)*iRes(2)*(iRes(1)+2_pInt-mod(iRes(1),2_pInt)),&
|
||||
fftw_planner_flag)
|
||||
F_real(1:iRes(1),1:iRes(2),1:iRes(3),1:3,1:3) = &
|
||||
reshape(F,[iRes(1),iRes(2),iRes(3),3,3], order = [4,5,1,2,3]) ! F_real is overwritten during plan creatio, is larger (padding) and has different order
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! FFT
|
||||
call fftw_execute_dft_r2c(planForth, F_real, F_fourier)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! if no average F is given, compute it in Fourier space
|
||||
if (present(FavgIn)) then
|
||||
if (all(FavgIn < 0.0_pReal)) then
|
||||
Favg = real(F_fourier(1,1,1,1:3,1:3),pReal)/real(product(iRes),pReal) !the f2py way to tell it is not present
|
||||
else
|
||||
Favg = FavgIn
|
||||
endif
|
||||
else
|
||||
Favg = real(F_fourier(1,1,1,1:3,1:3),pReal)/real(product(iRes),pReal)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! remove highest frequency in each direction, in third direction only if not 2D
|
||||
|
||||
if(iRes(1)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
F_fourier (res1Red, 1:iRes(2), 1:iRes(3), 1:3,1:3) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
if(iRes(2)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
F_fourier (1:res1Red,Nyquist(2,1):Nyquist(2,2),1:iRes(3), 1:3,1:3) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
if(iRes(3)/=1_pInt) & ! do not delete the whole slice in case of 2D calculation
|
||||
F_fourier (1:res1Red,1:iRes(2), Nyquist(3,1):Nyquist(3,2),1:3,1:3) &
|
||||
= cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! integration in Fourier space
|
||||
coords_fourier = cmplx(0.0_pReal,0.0_pReal,pReal)
|
||||
do k = 1_pInt, iRes(3)
|
||||
k_s(3) = k-1_pInt
|
||||
if(k > iRes(3)/2_pInt+1_pInt) k_s(3) = k_s(3)-iRes(3)
|
||||
do j = 1_pInt, iRes(2)
|
||||
k_s(2) = j-1_pInt
|
||||
if(j > iRes(2)/2_pInt+1_pInt) k_s(2) = k_s(2)-iRes(2)
|
||||
do i = 1_pInt, res1Red
|
||||
k_s(1) = i-1_pInt
|
||||
do m = 1_pInt,3_pInt
|
||||
coords_fourier(i,j,k,m) = sum(F_fourier(i,j,k,m,1:3)*&
|
||||
cmplx(0.0_pReal,real(k_s,pReal)*integrator,pReal))
|
||||
enddo
|
||||
if (any(k_s /= 0_pInt)) coords_fourier(i,j,k,1:3) = &
|
||||
coords_fourier(i,j,k,1:3) / cmplx(-sum(k_s*k_s),0.0_pReal,pReal)
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! iFFT and freeing memory
|
||||
call fftw_execute_dft_c2r(planBack,coords_fourier,coords_real)
|
||||
coords = reshape(coords_real(1:iRes(1),1:iRes(2),1:iRes(3),1:3), [3,iRes(1),iRes(2),iRes(3)], &
|
||||
order = [2,3,4,1])/real(product(iRes),pReal) ! weight and change order
|
||||
call fftw_destroy_plan(planForth)
|
||||
call fftw_destroy_plan(planBack)
|
||||
call fftw_free(defgrad_fftw)
|
||||
call fftw_free(coords_fftw)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! add average to scaled fluctuation and put (0,0,0) on (0,0,0)
|
||||
offset_coords = math_mul33x3(F(1:3,1:3,1,1,1),step/2.0_pReal) - scaling*coords(1:3,1,1,1)
|
||||
forall(k = 1_pInt:iRes(3), j = 1_pInt:iRes(2), i = 1_pInt:iRes(1)) &
|
||||
coords(1:3,i,j,k) = scaling(1:3)*coords(1:3,i,j,k) &
|
||||
+ offset_coords &
|
||||
+ math_mul33x3(Favg,step*real([i,j,k]-1_pInt,pReal))
|
||||
|
||||
end function mesh_deformedCoordsFFT
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates the mismatch between volume of reconstructed (compatible) cube and
|
||||
! determinant of defgrad at the FP
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function mesh_volumeMismatch(gDim,F,nodes) result(vMismatch)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use debug, only: &
|
||||
debug_mesh, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
math_det33, &
|
||||
math_volTetrahedron
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in), dimension(:,:,:,:,:) :: &
|
||||
F
|
||||
real(pReal), dimension(size(F,3),size(F,4),size(F,5)) :: &
|
||||
vMismatch
|
||||
real(pReal), intent(in), dimension(:,:,:,:) :: &
|
||||
nodes
|
||||
real(pReal), dimension(3) :: &
|
||||
gDim
|
||||
integer(pInt), dimension(3) :: &
|
||||
iRes
|
||||
real(pReal), dimension(3,8) :: coords
|
||||
integer(pInt) :: i,j,k
|
||||
real(pReal) :: volInitial
|
||||
|
||||
iRes = [size(F,3),size(F,4),size(F,5)]
|
||||
volInitial = product(gDim)/real(product(iRes), pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report and check
|
||||
if (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a)') ' Calculating volume mismatch'
|
||||
write(6,'(a,3(i12 ))') ' grid a b c: ', iRes
|
||||
write(6,'(a,3(es12.5))') ' size x y z: ', gDim
|
||||
endif
|
||||
|
||||
if (any([iRes/=size(nodes,2)-1_pInt,iRes/=size(nodes,3)-1_pInt,iRes/=size(nodes,4)-1_pInt]))&
|
||||
call IO_error(0_pInt,ext_msg='Arrays F and nodes in mesh_volumeMismatch')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate actual volume and volume resulting from deformation gradient
|
||||
do k = 1_pInt,iRes(3)
|
||||
do j = 1_pInt,iRes(2)
|
||||
do i = 1_pInt,iRes(1)
|
||||
coords(1:3,1) = nodes(1:3,i, j, k )
|
||||
coords(1:3,2) = nodes(1:3,i+1_pInt,j, k )
|
||||
coords(1:3,3) = nodes(1:3,i+1_pInt,j+1_pInt,k )
|
||||
coords(1:3,4) = nodes(1:3,i, j+1_pInt,k )
|
||||
coords(1:3,5) = nodes(1:3,i, j, k+1_pInt)
|
||||
coords(1:3,6) = nodes(1:3,i+1_pInt,j, k+1_pInt)
|
||||
coords(1:3,7) = nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt)
|
||||
coords(1:3,8) = nodes(1:3,i, j+1_pInt,k+1_pInt)
|
||||
vMismatch(i,j,k) = &
|
||||
abs(math_volTetrahedron(coords(1:3,7),coords(1:3,1),coords(1:3,8),coords(1:3,4))) &
|
||||
+ abs(math_volTetrahedron(coords(1:3,7),coords(1:3,1),coords(1:3,8),coords(1:3,5))) &
|
||||
+ abs(math_volTetrahedron(coords(1:3,7),coords(1:3,1),coords(1:3,3),coords(1:3,4))) &
|
||||
+ abs(math_volTetrahedron(coords(1:3,7),coords(1:3,1),coords(1:3,3),coords(1:3,2))) &
|
||||
+ abs(math_volTetrahedron(coords(1:3,7),coords(1:3,5),coords(1:3,2),coords(1:3,6))) &
|
||||
+ abs(math_volTetrahedron(coords(1:3,7),coords(1:3,5),coords(1:3,2),coords(1:3,1)))
|
||||
vMismatch(i,j,k) = vMismatch(i,j,k)/math_det33(F(1:3,1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
vMismatch = vMismatch/volInitial
|
||||
|
||||
end function mesh_volumeMismatch
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Routine to calculate the mismatch between the vectors from the central point to
|
||||
! the corners of reconstructed (combatible) volume element and the vectors calculated by deforming
|
||||
! the initial volume element with the current deformation gradient
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function mesh_shapeMismatch(gDim,F,nodes,centres) result(sMismatch)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use debug, only: &
|
||||
debug_mesh, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
math_mul33x3
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in), dimension(:,:,:,:,:) :: &
|
||||
F
|
||||
real(pReal), dimension(size(F,3),size(F,4),size(F,5)) :: &
|
||||
sMismatch
|
||||
real(pReal), intent(in), dimension(:,:,:,:) :: &
|
||||
nodes, &
|
||||
centres
|
||||
real(pReal), dimension(3) :: &
|
||||
gDim, &
|
||||
fRes
|
||||
integer(pInt), dimension(3) :: &
|
||||
iRes
|
||||
real(pReal), dimension(3,8) :: coordsInitial
|
||||
integer(pInt) i,j,k
|
||||
|
||||
iRes = [size(F,3),size(F,4),size(F,5)]
|
||||
fRes = real(iRes,pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report and check
|
||||
if (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a)') ' Calculating shape mismatch'
|
||||
write(6,'(a,3(i12 ))') ' grid a b c: ', iRes
|
||||
write(6,'(a,3(es12.5))') ' size x y z: ', gDim
|
||||
endif
|
||||
|
||||
if(any([iRes/=size(nodes,2)-1_pInt,iRes/=size(nodes,3)-1_pInt,iRes/=size(nodes,4)-1_pInt]) .or.&
|
||||
any([iRes/=size(centres,2), iRes/=size(centres,3), iRes/=size(centres,4)]))&
|
||||
call IO_error(0_pInt,ext_msg='Arrays F and nodes/centres in mesh_shapeMismatch')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initial positions
|
||||
coordsInitial(1:3,1) = [-gDim(1)/fRes(1),-gDim(2)/fRes(2),-gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,2) = [+gDim(1)/fRes(1),-gDim(2)/fRes(2),-gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,3) = [+gDim(1)/fRes(1),+gDim(2)/fRes(2),-gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,4) = [-gDim(1)/fRes(1),+gDim(2)/fRes(2),-gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,5) = [-gDim(1)/fRes(1),-gDim(2)/fRes(2),+gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,6) = [+gDim(1)/fRes(1),-gDim(2)/fRes(2),+gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,7) = [+gDim(1)/fRes(1),+gDim(2)/fRes(2),+gDim(3)/fRes(3)]
|
||||
coordsInitial(1:3,8) = [-gDim(1)/fRes(1),+gDim(2)/fRes(2),+gDim(3)/fRes(3)]
|
||||
coordsInitial = coordsInitial/2.0_pReal
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! compare deformed original and deformed positions to actual positions
|
||||
do k = 1_pInt,iRes(3)
|
||||
do j = 1_pInt,iRes(2)
|
||||
do i = 1_pInt,iRes(1)
|
||||
sMismatch(i,j,k) = &
|
||||
sqrt(sum((nodes(1:3,i, j, k ) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,1)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i+1_pInt,j, k ) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,2)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i+1_pInt,j+1_pInt,k ) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,3)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i, j+1_pInt,k ) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,4)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i, j, k+1_pInt) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,5)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i+1_pInt,j, k+1_pInt) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,6)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,7)))**2.0_pReal))&
|
||||
+ sqrt(sum((nodes(1:3,i, j+1_pInt,k+1_pInt) - centres(1:3,i,j,k)&
|
||||
- math_mul33x3(F(1:3,1:3,i,j,k), coordsInitial(1:3,8)))**2.0_pReal))
|
||||
enddo; enddo; enddo
|
||||
|
||||
end function mesh_shapeMismatch
|
||||
#endif
|
||||
|
||||
|
||||
|
||||
#ifdef Marc4DAMASK
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Figures out table styles (Marc only) and stores to 'initialcondTableStyle' and
|
||||
|
|
@ -3070,6 +2713,7 @@ use IO, only: &
|
|||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
||||
#ifndef Spectral
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt) chunk, Nchunks
|
||||
|
|
@ -3081,9 +2725,10 @@ use IO, only: &
|
|||
mesh_periodicSurface = .true.
|
||||
#else
|
||||
mesh_periodicSurface = .false.
|
||||
#if defined(Marc4DAMASK)
|
||||
#ifdef Marc4DAMASK
|
||||
keyword = '$damask'
|
||||
#elif defined(Abaqus)
|
||||
#endif
|
||||
#ifdef Abaqus
|
||||
keyword = '**damask'
|
||||
#endif
|
||||
|
||||
|
|
@ -3691,7 +3336,6 @@ integer(pInt) function FE_mapElemtype(what)
|
|||
'c3d20t')
|
||||
FE_mapElemtype = 13_pInt ! Three-dimensional Arbitrarily Distorted quadratic hexahedral
|
||||
case default
|
||||
FE_mapElemtype = -1_pInt ! error return
|
||||
call IO_error(error_ID=190_pInt,ext_msg=IO_lc(what))
|
||||
end select
|
||||
|
||||
|
|
@ -3700,7 +3344,6 @@ end function FE_mapElemtype
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief find face-matching element of same type
|
||||
!> @details currently not used, check if needed for HDF5 output, otherwise delete
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_faceMatch(elem, face ,matchingElem, matchingFace)
|
||||
|
||||
|
|
@ -4511,212 +4154,6 @@ subroutine mesh_build_FEdata
|
|||
end subroutine mesh_build_FEdata
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes out initial cell geometry
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_write_cellGeom
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName, &
|
||||
getSolverWorkingDirectoryName
|
||||
use IR_Precision, only: &
|
||||
I4P
|
||||
use Lib_VTK_IO, only: &
|
||||
VTK_ini, &
|
||||
VTK_geo, &
|
||||
VTK_con, &
|
||||
VTK_end
|
||||
implicit none
|
||||
integer(I4P), dimension(1:mesh_Ncells) :: celltype
|
||||
integer(I4P), dimension(mesh_Ncells*(1_pInt+FE_maxNcellnodesPerCell)) :: cellconnection
|
||||
integer(I4P):: error
|
||||
integer(I4P):: g, c, e, CellID, i, j
|
||||
|
||||
cellID = 0_pInt
|
||||
j = 0_pInt
|
||||
do e = 1_pInt, mesh_NcpElems ! loop over cpElems
|
||||
g = FE_geomtype(mesh_element(2_pInt,e)) ! get geometry type
|
||||
c = FE_celltype(g) ! get cell type
|
||||
do i = 1_pInt,FE_Nips(g) ! loop over ips=cells in this element
|
||||
cellID = cellID + 1_pInt
|
||||
celltype(cellID) = MESH_VTKCELLTYPE(c)
|
||||
cellconnection(j+1_pInt:j+FE_NcellnodesPerCell(c)+1_pInt) &
|
||||
= [FE_NcellnodesPerCell(c),mesh_cell(1:FE_NcellnodesPerCell(c),i,e)-1_pInt] ! number of cellnodes per cell & list of global cellnode IDs belnging to this cell (cellnode counting starts at 0)
|
||||
j = j + FE_NcellnodesPerCell(c) + 1_pInt
|
||||
enddo
|
||||
enddo
|
||||
|
||||
error=VTK_ini(output_format = 'ASCII', &
|
||||
title=trim(getSolverJobName())//' cell mesh', &
|
||||
filename = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'_ipbased.vtk', &
|
||||
mesh_topology = 'UNSTRUCTURED_GRID')
|
||||
!ToDo: check error here
|
||||
error=VTK_geo(NN = int(mesh_Ncellnodes,I4P), &
|
||||
X = mesh_cellnode(1,1:mesh_Ncellnodes), &
|
||||
Y = mesh_cellnode(2,1:mesh_Ncellnodes), &
|
||||
Z = mesh_cellnode(3,1:mesh_Ncellnodes))
|
||||
!ToDo: check error here
|
||||
error=VTK_con(NC = int(mesh_Ncells,I4P), &
|
||||
connect = cellconnection(1:j), &
|
||||
!ToDo: check error here
|
||||
cell_type = celltype)
|
||||
error=VTK_end()
|
||||
!ToDo: check error here
|
||||
|
||||
end subroutine mesh_write_cellGeom
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes out initial element geometry
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_write_elemGeom
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName, &
|
||||
getSolverWorkingDirectoryName
|
||||
use IR_Precision, only: &
|
||||
I4P
|
||||
use Lib_VTK_IO, only: &
|
||||
VTK_ini, &
|
||||
VTK_geo, &
|
||||
VTK_con, &
|
||||
VTK_end
|
||||
|
||||
implicit none
|
||||
integer(I4P), dimension(1:mesh_NcpElems) :: elemtype
|
||||
integer(I4P), dimension(mesh_NcpElems*(1_pInt+FE_maxNnodes)) :: elementconnection
|
||||
integer(I4P):: error
|
||||
integer(pInt):: e, t, n, i
|
||||
|
||||
i = 0_pInt
|
||||
do e = 1_pInt, mesh_NcpElems ! loop over cpElems
|
||||
t = mesh_element(2,e) ! get element type
|
||||
elemtype(e) = MESH_VTKELEMTYPE(t)
|
||||
elementconnection(i+1_pInt) = FE_Nnodes(t) ! number of nodes per element
|
||||
do n = 1_pInt,FE_Nnodes(t)
|
||||
elementconnection(i+1_pInt+n) = mesh_element(4_pInt+n,e) - 1_pInt ! global node ID of node that belongs to this element (node counting starts at 0)
|
||||
enddo
|
||||
i = i + 1_pInt + FE_Nnodes(t)
|
||||
enddo
|
||||
|
||||
error=VTK_ini(output_format = 'ASCII', &
|
||||
title=trim(getSolverJobName())//' element mesh', &
|
||||
filename = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'_nodebased.vtk', &
|
||||
mesh_topology = 'UNSTRUCTURED_GRID')
|
||||
!ToDo: check error here
|
||||
error=VTK_geo(NN = int(mesh_Nnodes,I4P), &
|
||||
X = mesh_node0(1,1:mesh_Nnodes), &
|
||||
Y = mesh_node0(2,1:mesh_Nnodes), &
|
||||
Z = mesh_node0(3,1:mesh_Nnodes))
|
||||
!ToDo: check error here
|
||||
error=VTK_con(NC = int(mesh_Nelems,I4P), &
|
||||
connect = elementconnection(1:i), &
|
||||
cell_type = elemtype)
|
||||
!ToDo: check error here
|
||||
error =VTK_end()
|
||||
!ToDo: check error here
|
||||
|
||||
end subroutine mesh_write_elemGeom
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes description file for mesh
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mesh_write_meshfile
|
||||
use IO, only: &
|
||||
IO_write_jobFile
|
||||
|
||||
implicit none
|
||||
integer(pInt), parameter :: fileUnit = 223_pInt
|
||||
integer(pInt) :: e,i,t,g,c,n
|
||||
|
||||
call IO_write_jobFile(fileUnit,'mesh')
|
||||
write(fileUnit,'(A16,E10.3)') 'unitlength', mesh_unitlength
|
||||
write(fileUnit,'(A16,I10)') 'maxNcellnodes', mesh_maxNcellnodes
|
||||
write(fileUnit,'(A16,I10)') 'maxNips', mesh_maxNips
|
||||
write(fileUnit,'(A16,I10)') 'maxNnodes', mesh_maxNnodes
|
||||
write(fileUnit,'(A16,I10)') 'Nnodes', mesh_Nnodes
|
||||
write(fileUnit,'(A16,I10)') 'NcpElems', mesh_NcpElems
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
t = mesh_element(2,e)
|
||||
write(fileUnit,'(20(I10))') mesh_element(1_pInt:4_pInt+FE_Nnodes(t),e)
|
||||
enddo
|
||||
write(fileUnit,'(A16,I10)') 'Ncellnodes', mesh_Ncellnodes
|
||||
do n = 1_pInt,mesh_Ncellnodes
|
||||
write(fileUnit,'(2(I10))') mesh_cellnodeParent(1:2,n)
|
||||
enddo
|
||||
write(fileUnit,'(A16,I10)') 'Ncells', mesh_Ncells
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
t = mesh_element(2,e)
|
||||
g = FE_geomtype(t)
|
||||
c = FE_celltype(g)
|
||||
do i = 1_pInt,FE_Nips(g)
|
||||
write(fileUnit,'(8(I10))') &
|
||||
mesh_cell(1_pInt:FE_NcellnodesPerCell(c),i,e)
|
||||
enddo
|
||||
enddo
|
||||
close(fileUnit)
|
||||
|
||||
end subroutine mesh_write_meshfile
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads mesh description file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function mesh_read_meshfile(filepath)
|
||||
|
||||
implicit none
|
||||
character(len=*), intent(in) :: filepath
|
||||
integer(pInt), parameter :: fileUnit = 223_pInt
|
||||
integer(pInt) :: e,i,t,g,n
|
||||
|
||||
open(fileUnit,status='old',err=100,iostat=mesh_read_meshfile,action='read',file=filepath)
|
||||
read(fileUnit,'(TR16,E10.3)',err=100,iostat=mesh_read_meshfile) mesh_unitlength
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_maxNcellnodes
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_maxNips
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_maxNnodes
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_Nnodes
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_NcpElems
|
||||
if (.not. allocated(mesh_element)) allocate(mesh_element(4_pInt+mesh_maxNnodes,mesh_NcpElems))
|
||||
mesh_element = 0_pInt
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
read(fileUnit,'(20(I10))',err=100,iostat=mesh_read_meshfile) &
|
||||
mesh_element(:,e)
|
||||
enddo
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_Ncellnodes
|
||||
if (.not. allocated(mesh_cellnodeParent)) allocate(mesh_cellnodeParent(2_pInt,mesh_Ncellnodes))
|
||||
do n = 1_pInt,mesh_Ncellnodes
|
||||
read(fileUnit,'(2(I10))',err=100,iostat=mesh_read_meshfile) mesh_cellnodeParent(1:2,n)
|
||||
enddo
|
||||
read(fileUnit,'(TR16,I10)',err=100,iostat=mesh_read_meshfile) mesh_Ncells
|
||||
if (.not. allocated(mesh_cell)) allocate(mesh_cell(FE_maxNcellnodesPerCell,mesh_maxNips,mesh_NcpElems))
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
t = mesh_element(2,e)
|
||||
g = FE_geomtype(t)
|
||||
do i = 1_pInt,FE_Nips(g)
|
||||
read(fileUnit,'(8(I10))',err=100,iostat=mesh_read_meshfile) mesh_cell(:,i,e)
|
||||
enddo
|
||||
enddo
|
||||
close(fileUnit)
|
||||
|
||||
mesh_read_meshfile = 0 ! successfully read data
|
||||
|
||||
100 continue
|
||||
end function mesh_read_meshfile
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief initializes mesh data for use in post processing
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function mesh_init_postprocessing(filepath)
|
||||
|
||||
implicit none
|
||||
character(len=*), intent(in) :: filepath
|
||||
|
||||
call mesh_build_FEdata
|
||||
mesh_init_postprocessing = mesh_read_meshfile(filepath)
|
||||
|
||||
end function mesh_init_postprocessing
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief returns global variable mesh_Ncellnodes
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -13,9 +13,7 @@ module DAMASK_interface
|
|||
pInt
|
||||
implicit none
|
||||
private
|
||||
#ifdef PETSc
|
||||
#include <petsc/finclude/petscsys.h>
|
||||
#endif
|
||||
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
|
||||
integer(pInt), public, protected :: spectralRestartInc = 1_pInt !< Increment at which calculation starts
|
||||
character(len=1024), public, protected :: &
|
||||
|
|
@ -44,13 +42,10 @@ contains
|
|||
!> @brief initializes the solver by interpreting the command line arguments. Also writes
|
||||
!! information on computation to screen
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
|
||||
subroutine DAMASK_interface_init()
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
|
||||
implicit none
|
||||
character(len=1024), optional, intent(in) :: &
|
||||
loadCaseParameterIn, & !< if using the f2py variant, the -l argument of DAMASK_spectral.exe
|
||||
geometryParameterIn !< if using the f2py variant, the -g argument of DAMASK_spectral.exe
|
||||
character(len=1024) :: &
|
||||
commandLine, & !< command line call as string
|
||||
loadCaseArg ='', & !< -l argument given to DAMASK_spectral.exe
|
||||
|
|
@ -67,9 +62,7 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
|
|||
chunkPos
|
||||
integer, dimension(8) :: &
|
||||
dateAndTime ! type default integer
|
||||
#ifdef PETSc
|
||||
PetscErrorCode :: ierr
|
||||
#endif
|
||||
external :: &
|
||||
quit,&
|
||||
MPI_Comm_rank,&
|
||||
|
|
@ -81,7 +74,6 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Init
|
||||
#ifdef PETSc
|
||||
#ifdef _OPENMP
|
||||
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr) ! in case of OpenMP, don't rely on PETScInitialize doing MPI init
|
||||
if (threadLevel<MPI_THREAD_FUNNELED) then
|
||||
|
|
@ -92,7 +84,6 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
|
|||
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)
|
||||
#endif
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
if (output_unit /= 6) then
|
||||
|
|
@ -115,89 +106,72 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
|
|||
dateAndTime(7)
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
|
||||
#include "compilation_info.f90"
|
||||
|
||||
if ( present(loadcaseParameterIn) .and. present(geometryParameterIn)) then ! both mandatory parameters given in function call
|
||||
geometryArg = geometryParameterIn
|
||||
loadcaseArg = loadcaseParameterIn
|
||||
commandLine = 'n/a'
|
||||
else if ( .not.( present(loadcaseParameterIn) .and. present(geometryParameterIn))) then ! none parameters given in function call, trying to get them from command line
|
||||
call get_command(commandLine)
|
||||
chunkPos = IIO_stringPos(commandLine)
|
||||
do i = 1, chunkPos(1)
|
||||
tag = IIO_lc(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
|
||||
select case(tag)
|
||||
case ('-h','--help')
|
||||
mainProcess2: if (worldrank == 0) then
|
||||
write(6,'(a)') ' #######################################################################'
|
||||
write(6,'(a)') ' DAMASK_spectral:'
|
||||
write(6,'(a)') ' The spectral method boundary value problem solver for'
|
||||
write(6,'(a)') ' 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)') ' --regrid (--rg)'
|
||||
write(6,'(a)') ' --help (-h)'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Mandatory arguments:'
|
||||
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
|
||||
write(6,'(a)') ' Specifies the location of the geometry definition file,'
|
||||
write(6,'(a)') ' if no extension is given, .geom will be appended.'
|
||||
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
|
||||
write(6,'(a)') ' via --workingdir.'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
|
||||
write(6,'(a)') ' Specifies the location of the load case definition file,'
|
||||
write(6,'(a)') ' if no extension is given, .load will be appended.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Optional arguments:'
|
||||
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
|
||||
write(6,'(a)') ' Specifies the working directory and overwrites the default'
|
||||
write(6,'(a)') ' "PathToGeomFile".'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --restart XX'
|
||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
||||
write(6,'(a)') ' calculate total increment No. XX.'
|
||||
write(6,'(a)') ' Appends to existing results file '
|
||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
||||
write(6,'(a)') ' No. XX-1 is available in the working directory.'
|
||||
write(6,'(/,a)')' --regrid XX'
|
||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
||||
write(6,'(a)') ' calculate total increment No. XX.'
|
||||
write(6,'(a)') ' Attention: Overwrites existing results file '
|
||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
||||
write(6,'(a)') ' No. XX-1 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
|
||||
endif mainProcess2
|
||||
case ('-l', '--load', '--loadcase')
|
||||
loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-g', '--geom', '--geometry')
|
||||
geometryArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
|
||||
workingDirArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-r', '--rs', '--restart')
|
||||
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
|
||||
appendToOutFile = .true.
|
||||
case ('--rg', '--regrid')
|
||||
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
|
||||
appendToOutFile = .false.
|
||||
end select
|
||||
enddo
|
||||
endif
|
||||
|
||||
call get_command(commandLine)
|
||||
chunkPos = IIO_stringPos(commandLine)
|
||||
do i = 1, chunkPos(1)
|
||||
tag = IIO_lc(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
|
||||
select case(tag)
|
||||
case ('-h','--help')
|
||||
mainProcess2: if (worldrank == 0) then
|
||||
write(6,'(a)') ' #######################################################################'
|
||||
write(6,'(a)') ' DAMASK_spectral:'
|
||||
write(6,'(a)') ' The spectral method boundary value problem solver for'
|
||||
write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
|
||||
write(6,'(a,/)')' #######################################################################'
|
||||
write(6,'(a,/)')' Valid command line switches:'
|
||||
write(6,'(a)') ' --geom (-g, --geometry)'
|
||||
write(6,'(a)') ' --load (-l, --loadcase)'
|
||||
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
|
||||
write(6,'(a)') ' --restart (-r, --rs)'
|
||||
write(6,'(a)') ' --help (-h)'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Mandatory arguments:'
|
||||
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
|
||||
write(6,'(a)') ' Specifies the location of the geometry definition file,'
|
||||
write(6,'(a)') ' if no extension is given, .geom will be appended.'
|
||||
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
|
||||
write(6,'(a)') ' via --workingdir.'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
|
||||
write(6,'(a)') ' Specifies the location of the load case definition file,'
|
||||
write(6,'(a)') ' if no extension is given, .load will be appended.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Optional arguments:'
|
||||
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
|
||||
write(6,'(a)') ' Specifies the working directory and overwrites the default'
|
||||
write(6,'(a)') ' "PathToGeomFile".'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --restart XX'
|
||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
||||
write(6,'(a)') ' calculate total increment No. XX.'
|
||||
write(6,'(a)') ' Appends to existing results file '
|
||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
||||
write(6,'(a)') ' No. XX-1 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
|
||||
endif mainProcess2
|
||||
case ('-l', '--load', '--loadcase')
|
||||
loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-g', '--geom', '--geometry')
|
||||
geometryArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
|
||||
workingDirArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-r', '--rs', '--restart')
|
||||
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
|
||||
appendToOutFile = .true.
|
||||
end select
|
||||
enddo
|
||||
|
||||
if (len(trim(loadcaseArg)) == 0 .or. len(trim(geometryArg)) == 0) then
|
||||
write(6,'(a)') ' Please specify geometry AND load case (-h for help)'
|
||||
|
|
|
|||
|
|
@ -22,19 +22,6 @@ class extendableOption(Option):
|
|||
Option.take_action(self, action, dest, opt, value, values, parser)
|
||||
|
||||
|
||||
|
||||
# -----------------------------
|
||||
def filePresent(paths,files,warning=False):
|
||||
|
||||
for path in paths:
|
||||
for file in files:
|
||||
if os.path.isfile(os.path.join(path,file)): return True
|
||||
|
||||
if warning: print "Warning: %s not found in %s"%(','.join(files),','.join(paths))
|
||||
|
||||
return False
|
||||
|
||||
|
||||
########################################################
|
||||
# MAIN
|
||||
########################################################
|
||||
|
|
@ -42,35 +29,15 @@ def filePresent(paths,files,warning=False):
|
|||
parser = OptionParser(option_class=extendableOption, usage='%prog options', description = """
|
||||
Configures the compilation and installation of DAMASK
|
||||
|
||||
""" + string.replace('$Id$','\n','\\n')
|
||||
)
|
||||
|
||||
#--- determine default compiler ----------------------------------------------------------------------
|
||||
compiler = os.getenv('F90')
|
||||
if compiler == None:
|
||||
compiler = 'ifort' if subprocess.call(['which', 'ifort'], stdout=subprocess.PIPE, stderr=subprocess.PIPE) == 0 \
|
||||
else 'gfortran'
|
||||
|
||||
#--- default option values --------------------------------------------------------------------------
|
||||
BLAS_order = ['IMKL','ACML','LAPACK','OPENBLAS']
|
||||
|
||||
""")
|
||||
defaults={'DAMASK_BIN':'depending on access rights',
|
||||
'F90':compiler,
|
||||
'FFTW_ROOT':'/usr',
|
||||
'MSC_ROOT' :'/msc',
|
||||
'DAMASK_NUM_THREADS':4,
|
||||
'MARC_VERSION':'2015',
|
||||
'blasType':'LAPACK',
|
||||
'blasRoot':{'LAPACK' :'/usr',
|
||||
'ACML' :'/opt/acml6.1.0',
|
||||
'IMKL' : os.getenv('MKLROOT') if os.getenv('MKLROOT') else '/opt/intel/composerxe/mkl',
|
||||
'OPENBLAS' :'/usr',
|
||||
},
|
||||
'spectralOptions':{},
|
||||
}
|
||||
|
||||
|
||||
|
||||
#--- if local config file exists, read, otherwise assume global config file ------------------------
|
||||
configFile = os.path.join(os.getenv('HOME'),'.damask/damask.conf') \
|
||||
if os.path.isfile(os.path.join(os.getenv('HOME'),'.damask/damask.conf')) \
|
||||
|
|
@ -91,129 +58,25 @@ try:
|
|||
defaults['DAMASK_NUM_THREADS'] = int(value)
|
||||
if key == 'DAMASK_BIN':
|
||||
defaults['DAMASK_BIN'] = value
|
||||
if key in ['F90','FFTW_ROOT','MSC_ROOT','spectralOptions','MARC_VERSION']:
|
||||
defaults[key] = value
|
||||
for theKey in reversed(BLAS_order):
|
||||
if key == theKey+'_ROOT' and value != None and value != '':
|
||||
defaults['blasType'] = theKey
|
||||
defaults['blasRoot'][theKey] = value
|
||||
except IOError:
|
||||
pass
|
||||
|
||||
parser.add_option('--prefix', dest='prefix', metavar='string',
|
||||
help='location of (links to) DAMASK executables [%default]')
|
||||
parser.add_option('--with-FC','--with-fc',
|
||||
dest='compiler', metavar='string',
|
||||
help='F90 compiler [%default]')
|
||||
parser.add_option('--with-FFTW-dir','--with-fftw-dir',
|
||||
dest='fftwRoot', metavar='string',
|
||||
help='root directory of FFTW [%default]')
|
||||
parser.add_option('--with-MSC-dir','--with-msc-dir',
|
||||
dest='mscRoot', metavar='string',
|
||||
help='root directory of MSC.Marc/Mentat [%default]')
|
||||
parser.add_option('--with-MARC-version','--with-marc-version',
|
||||
dest='marcVersion', metavar='string',
|
||||
help='version of MSC.Marc/Mentat [%default]')
|
||||
parser.add_option('--with-OMP-threads','--with-omp-threads',
|
||||
dest='threads', type='int', metavar='int',
|
||||
help='number of openMP threads [%default]')
|
||||
parser.add_option('--with-BLAS-type','--with-blas-type',
|
||||
dest='blasType', metavar='string',
|
||||
help='type of BLAS/LAPACK library [%default] {{{}}}'.format(','.join(BLAS_order)))
|
||||
parser.add_option('--with-BLAS-dir','--with-blas-dir',
|
||||
dest='blasRoot',metavar='string',
|
||||
help='root directory of BLAS/LAPACK library [%default]')
|
||||
parser.add_option('--with-spectral-options', dest='spectraloptions', action='extend', metavar='<string LIST>',
|
||||
help='options for compilation of spectral solver')
|
||||
|
||||
parser.set_defaults(prefix = defaults['DAMASK_BIN'])
|
||||
parser.set_defaults(compiler = defaults['F90'])
|
||||
parser.set_defaults(fftwRoot = defaults['FFTW_ROOT'])
|
||||
parser.set_defaults(mscRoot = defaults['MSC_ROOT'])
|
||||
parser.set_defaults(marcVersion = defaults['MARC_VERSION'])
|
||||
parser.set_defaults(threads = defaults['DAMASK_NUM_THREADS'])
|
||||
parser.set_defaults(blasType = defaults['blasType'])
|
||||
|
||||
#--- set default for blasRoot depending on current option (or default) for blasType --------------------
|
||||
blasType = defaults['blasType'].upper()
|
||||
for i, arg in enumerate(sys.argv):
|
||||
if arg.lower().startswith('--with-blas-type'):
|
||||
if arg.lower().endswith('--with-blas-type'):
|
||||
blasType = sys.argv[i+1].upper()
|
||||
else:
|
||||
blasType = sys.argv[i][17:].upper()
|
||||
if blasType not in BLAS_order:
|
||||
blasType = defaults['blasType'].upper()
|
||||
|
||||
parser.set_defaults(blasRoot = defaults['blasRoot'][blasType])
|
||||
parser.set_defaults(spectraloptions = [])
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
#--- consistency checks --------------------------------------------------------------------------------
|
||||
options.compiler = options.compiler.lower()
|
||||
options.blasType = options.blasType.upper()
|
||||
options.fftwRoot = os.path.normpath(options.fftwRoot)
|
||||
options.mscRoot = os.path.normpath(options.mscRoot)
|
||||
options.blasRoot = os.path.normpath(options.blasRoot)
|
||||
|
||||
locations = {
|
||||
'FFTW' : [os.path.join(options.fftwRoot,'lib64'),os.path.join(options.fftwRoot,'lib')],
|
||||
'LAPACK' : [os.path.join(options.blasRoot,'lib64'),os.path.join(options.blasRoot,'lib')],
|
||||
'OPENBLAS': [os.path.join(options.blasRoot,'lib64'),os.path.join(options.blasRoot,'lib')],
|
||||
'ACML' : [os.path.join(options.blasRoot,'%s64/lib'%options.compiler)],
|
||||
'ACML_mp' : [os.path.join(options.blasRoot,'%s64_mp/lib'%options.compiler)],
|
||||
'IMKL' : [os.path.join(options.blasRoot,'lib/intel64')],
|
||||
}
|
||||
|
||||
libraries = {
|
||||
'FFTW' : [
|
||||
'libfftw3.so','libfftw3.a',
|
||||
'libfftw3_threads.so','libfftw3_threads.a',
|
||||
],
|
||||
'LAPACK' : [
|
||||
'liblapack.so','liblapack.a','liblapack.dylib',
|
||||
],
|
||||
'OPENBLAS' : [
|
||||
'libopenblas.so','libopenblas.a','libopenblas.dylib',
|
||||
],
|
||||
'ACML' : [
|
||||
'libacml.so','libacml.a',
|
||||
],
|
||||
'ACML_mp' : [
|
||||
'libacml_mp.so','libacml_mp.a',
|
||||
],
|
||||
'IMKL' : [
|
||||
'libmkl_core.so','libmkl_core.a',
|
||||
'libmkl_sequential.so','libmkl_sequential.a',
|
||||
'libmkl_intel_thread.so','libmkl_intel_thread.a',
|
||||
'libmkl_intel_lp64.so','libmkl_intel_lp64.a',
|
||||
'libmkl_gnu_thread.so','libmkl_gnu_thread.a',
|
||||
'libmkl_gf_lp64.so','libmkl_gf_lp64.a',
|
||||
],
|
||||
|
||||
}
|
||||
if options.compiler not in ['ifort','gfortran']:
|
||||
print('Error: Unknown compiler option: %s'%options.compiler)
|
||||
sys.exit(1)
|
||||
|
||||
if not subprocess.call(['which', options.compiler], stdout=subprocess.PIPE, stderr=subprocess.PIPE) == 0:
|
||||
print('Compiler Warning: executable %s not found!'%options.compiler)
|
||||
|
||||
if not os.path.isdir(options.mscRoot):
|
||||
print('Warning: MSC root directory %s not found!'%options.mscRoot)
|
||||
|
||||
|
||||
filePresent(locations['FFTW'],libraries['FFTW'],warning=True)
|
||||
|
||||
if options.blasType in ['LAPACK','OPENBLAS','IMKL']:
|
||||
filePresent(locations[options.blasType],libraries[options.blasType],warning=True)
|
||||
elif options.blasType == 'ACML':
|
||||
filePresent(locations[options.blasType],libraries[options.blasType],warning=True)
|
||||
filePresent(locations[options.blasType+'_mp'],libraries[options.blasType+'_mp'],warning=True)
|
||||
else:
|
||||
print('Error: Unknown BLAS/LAPACK library: %s'%options.blasType)
|
||||
sys.exit(1)
|
||||
|
||||
#--- read config file if present to keep comments and order ---------------------------------------
|
||||
output = []
|
||||
|
|
@ -228,12 +91,6 @@ try:
|
|||
if items[0] == 'DAMASK_BIN':
|
||||
line = '%s=%s'%(items[0],options.prefix)
|
||||
options.prefix ='depending on access rights'
|
||||
if items[0] == 'F90':
|
||||
line = '%s=%s'%(items[0],options.compiler)
|
||||
options.compiler =''
|
||||
if items[0] == 'FFTW_ROOT':
|
||||
line = '%s=%s'%(items[0],options.fftwRoot)
|
||||
options.fftwRoot =''
|
||||
if items[0] == 'MSC_ROOT':
|
||||
line = '%s=%s'%(items[0],options.mscRoot)
|
||||
options.mscRoot =''
|
||||
|
|
@ -243,14 +100,6 @@ try:
|
|||
if items[0] == 'DAMASK_NUM_THREADS':
|
||||
line = '%s=%s'%(items[0],options.threads)
|
||||
options.threads =''
|
||||
for blasType in defaults['blasRoot'].keys():
|
||||
if items[0] == '%s_ROOT'%blasType and items[0] == '%s_ROOT'%options.blasType:
|
||||
line = '%s=%s'%(items[0],options.blasRoot)
|
||||
options.blasType=''
|
||||
elif items[0] == '#%s_ROOT'%blasType and items[0] == '#%s_ROOT'%options.blasType:
|
||||
line = '%s=%s'%(items[0][1:],options.blasRoot)
|
||||
options.blasType=''
|
||||
elif items[0] == '%s_ROOT'%blasType: line = '#'+line
|
||||
for spectralOption in options.spectraloptions:
|
||||
[key,value] = re.split('[= ]',spectralOption)[0:2]
|
||||
if key == items[0]:
|
||||
|
|
@ -264,18 +113,12 @@ except IOError:
|
|||
for opt, value in options.__dict__.items():
|
||||
if opt == 'prefix' and value != 'depending on access rights':
|
||||
output.append('DAMASK_BIN=%s'%value)
|
||||
if opt == 'compiler' and value != '':
|
||||
output.append('F90=%s'%value)
|
||||
if opt == 'fftwRoot' and value != '':
|
||||
output.append('FFTW_ROOT=%s'%value)
|
||||
if opt == 'mscRoot' and value != '':
|
||||
output.append('MSC_ROOT=%s'%value)
|
||||
if opt == 'marcVersion' and value != '':
|
||||
output.append('MARC_VERSION=%s'%value)
|
||||
if opt == 'threads' and value != '':
|
||||
output.append('DAMASK_NUM_THREADS=%s'%value)
|
||||
if opt == 'blasType' and value != '':
|
||||
output.append('%s_ROOT=%s'%(options.blasType,options.blasRoot))
|
||||
|
||||
for spectralOption in options.spectraloptions:
|
||||
output.append(spectralOption)
|
||||
|
|
|
|||
|
|
@ -1,141 +0,0 @@
|
|||
#!/usr/bin/env python2
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys,glob,subprocess,shlex
|
||||
from damask import Environment
|
||||
from damask import version as DAMASKVERSION
|
||||
|
||||
# compiles fortran code for Python
|
||||
scriptID = '$Id$'
|
||||
|
||||
damaskEnv = Environment()
|
||||
baseDir = damaskEnv.relPath('installation/')
|
||||
codeDir = damaskEnv.relPath('code/')
|
||||
|
||||
keywords=['IMKL_ROOT','ACML_ROOT','LAPACK_ROOT','FFTW_ROOT','F90']
|
||||
options={}
|
||||
|
||||
#--- getting options from damask.conf or, if not present, from envinronment -----------------------
|
||||
for option in keywords:
|
||||
try:
|
||||
value = damaskEnv.options[option]
|
||||
except:
|
||||
value = os.getenv(option)
|
||||
if value is None: value = '' # env not set
|
||||
options[option]=value
|
||||
|
||||
#--- overwrite default options with keyword=value pair from argument list to mimic make behavior --
|
||||
for i, arg in enumerate(sys.argv):
|
||||
for option in keywords:
|
||||
if arg.startswith(option):
|
||||
options[option] = sys.argv[i][len(option)+1:]
|
||||
|
||||
#--- check for valid compiler and set options -----------------------------------------------------
|
||||
compilers = ['ifort','gfortran']
|
||||
if options['F90'] not in compilers:
|
||||
sys.exit('compiler "F90" (in installation/options or as Shell variable) has to be one out of: %s'%(', '.join(compilers)))
|
||||
|
||||
compiler = {
|
||||
'gfortran': '--fcompiler=gnu95 --f90flags="-fPIC -fno-range-check -xf95-cpp-input -std=f2008 -fall-intrinsics'+\
|
||||
' -fdefault-real-8 -fdefault-double-8"',
|
||||
'ifort': '--fcompiler=intelem --f90flags="-fPIC -fpp -stand f08 -diag-disable 5268 -assume byterecl'+\
|
||||
' -real-size 64 -integer-size 32 -shared-intel"',
|
||||
}[options['F90']]
|
||||
|
||||
#--- option not depending on compiler -------------------------------------------------------------
|
||||
compileOptions = ' -DSpectral -DFLOAT=8 -DINT=4 -I%s/lib -DDAMASKVERSION=\\\\\"\\\"%s\\\\\"\\\"'%(damaskEnv.rootDir(),DAMASKVERSION)
|
||||
|
||||
#--- this saves the path of libraries to core.so, hence it is known during runtime ----------------
|
||||
if options['F90'] == 'gfortran':
|
||||
# solved error: Undefined symbols for architecture x86_64: "_PyArg_ParseTupleAndKeywords"
|
||||
# as found on https://lists.macosforge.org/pipermail/macports-dev/2013-May/022735.html
|
||||
LDFLAGS = '-shared -Wl,-undefined,dynamic_lookup'
|
||||
else:
|
||||
# some f2py versions/configurations compile with openMP, so linking against openMP is needed
|
||||
# to prevent errors during loading of core module
|
||||
LDFLAGS = ' -openmp -Wl'
|
||||
|
||||
#--- run path of for fftw during runtime ----------------------------------------------------------
|
||||
LDFLAGS += ',-rpath,%s/lib,-rpath,%s/lib64'%(options['FFTW_ROOT'],options['FFTW_ROOT'])
|
||||
|
||||
# see http://cens.ioc.ee/pipermail/f2py-users/2003-December/000621.html
|
||||
if options['IMKL_ROOT']:
|
||||
if options['F90'] == 'gfortran':
|
||||
arch = 'gf'
|
||||
elif options['F90'] == 'ifort':
|
||||
arch = 'intel'
|
||||
lib_lapack = '-L%s/lib/intel64 -lmkl_%s_lp64 -lmkl_core -lmkl_sequential -lm'\
|
||||
%(options['IMKL_ROOT'],arch)
|
||||
LDFLAGS +=',-rpath,%s/lib/intel64'%(options['IMKL_ROOT'])
|
||||
elif options['ACML_ROOT'] != '':
|
||||
lib_lapack = '-L%s/%s64/lib -lacml'%(options['ACML_ROOT'],options['F90'])
|
||||
LDFLAGS +=',-rpath,%s/%s64/lib'%(options['ACML_ROOT'],options['F90'])
|
||||
elif options['LAPACK_ROOT'] != '':
|
||||
lib_lapack = '-L%s/lib -L%s/lib64 -llapack'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])
|
||||
LDFLAGS +=',-rpath,%s/lib,-rpath,%s/lib64'%(options['LAPACK_ROOT'],options['LAPACK_ROOT'])
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# f2py does not (yet) support setting of special flags for the linker, hence they must be set via
|
||||
# environment variable ----------------------------------------------------------------------------
|
||||
my_env = os.environ
|
||||
my_env["LDFLAGS"] = LDFLAGS
|
||||
|
||||
#--- delete old file ------------------------------------------------------------------------------
|
||||
try:
|
||||
os.remove(os.path.join(damaskEnv.relPath('lib/damask'),'core.so'))
|
||||
except OSError, e:
|
||||
print ("Error when deleting: %s - %s." % (e.filename,e.strerror))
|
||||
|
||||
|
||||
# The following command is used to compile the fortran files and make the functions defined
|
||||
# in damask.core.pyf available for python in the module core.so
|
||||
# It uses the fortran wrapper f2py that is included in the numpy package to construct the
|
||||
# module core.so out of the fortran code in the f90 files
|
||||
# For the generation of the pyf file use the following lines:
|
||||
###########################################################################
|
||||
#'f2py -h damask.core.pyf' +\
|
||||
#' --overwrite-signature --no-lower prec.f90 DAMASK_spectral_interface.f90 math.f90 mesh.f90,...'
|
||||
###########################################################################
|
||||
os.chdir(codeDir)
|
||||
cmd = 'f2py damask.core.pyf' +\
|
||||
' -c --no-lower %s'%(compiler) +\
|
||||
compileOptions+\
|
||||
' C_routines.c'+\
|
||||
' system_routines.f90'+\
|
||||
' prec.f90'+\
|
||||
' spectral_interface.f90'+\
|
||||
' IO.f90'+\
|
||||
' libs.f90'+\
|
||||
' numerics.f90'+\
|
||||
' debug.f90'+\
|
||||
' math.f90'+\
|
||||
' FEsolving.f90'+\
|
||||
' mesh.f90'+\
|
||||
' core_quit.f90'+\
|
||||
' -L%s/lib -lfftw3'%(options['FFTW_ROOT'])+\
|
||||
' %s'%lib_lapack
|
||||
|
||||
print('Executing: '+cmd)
|
||||
try:
|
||||
subprocess.call(shlex.split(cmd),env=my_env)
|
||||
except subprocess.CalledProcessError:
|
||||
print('build failed')
|
||||
except OSError:
|
||||
print ('f2py not found')
|
||||
|
||||
try:
|
||||
os.rename(os.path.join(codeDir,'core.so'),\
|
||||
os.path.join(damaskEnv.relPath('lib/damask'),'core.so'))
|
||||
except:
|
||||
pass
|
||||
|
||||
modules = glob.glob('*.mod')
|
||||
for module in modules:
|
||||
print 'removing', module
|
||||
os.remove(module)
|
||||
|
||||
#--- check if compilation of core module was successful -------------------------------------------
|
||||
try:
|
||||
with open(damaskEnv.relPath('lib/damask/core.so')) as f: pass
|
||||
except IOError as e:
|
||||
print '*********\n* core.so not found, compilation of core modules was not successful\n*********'
|
||||
1230
lib/IR_Precision.f90
1230
lib/IR_Precision.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -1,909 +0,0 @@
|
|||
!> @ingroup Library
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64Library Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> @ingroup Interface
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64Interface Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> @ingroup PublicProcedure
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64PublicProcedure Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> @ingroup PrivateProcedure
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64PrivateProcedure Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> @ingroup GlobalVarPar
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64GlobalVarPar Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> @ingroup PrivateVarPar
|
||||
!> @{
|
||||
!> @defgroup Lib_Base64PrivateVarPar Lib_Base64
|
||||
!> base64 encoding/decoding library
|
||||
!> @}
|
||||
|
||||
!> This module contains base64 encoding/decoding procedures.
|
||||
!> @todo \b Decoding: Implement decoding functions.
|
||||
!> @todo \b DocComplete: Complete the documentation.
|
||||
!> @ingroup Lib_Base64Library
|
||||
module Lib_Base64
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
USE IR_Precision ! Integers and reals precision definition.
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
private
|
||||
public:: b64_encode
|
||||
!public:: b64_decode
|
||||
public:: pack_data
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
!> @ingroup Lib_Base64GlobalVarPar
|
||||
!> @{
|
||||
!> @}
|
||||
!> @ingroup Lib_Base64PrivateVarPar
|
||||
!> @{
|
||||
character(64):: base64="ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/" !< Base64 alphabet.
|
||||
!> @}
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
!> @brief Subroutine for encoding numbers (integer and real) to base64.
|
||||
!> @ingroup Lib_Base64Interface
|
||||
interface b64_encode
|
||||
module procedure b64_encode_R8_a, &
|
||||
b64_encode_R4_a, &
|
||||
b64_encode_I8_a, &
|
||||
b64_encode_I4_a, &
|
||||
b64_encode_I2_a, &
|
||||
b64_encode_I1_a
|
||||
endinterface
|
||||
!!> @brief Subroutine for decoding numbers (integer and real) from base64.
|
||||
!!> @ingroup Lib_Base64Interface
|
||||
!interface b64_decode
|
||||
! module procedure b64_decode_R8_a, &
|
||||
! b64_decode_R4_a, &
|
||||
! b64_decode_I8_a, &
|
||||
! b64_decode_I4_a, &
|
||||
! b64_decode_I2_a, &
|
||||
! b64_decode_I1_a
|
||||
!endinterface
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array. This is useful for encoding different kinds
|
||||
!> variables into a single stream of bits.
|
||||
!> @ingroup Lib_Base64Interface
|
||||
interface pack_data
|
||||
module procedure pack_data_R8_R4,pack_data_R8_I8,pack_data_R8_I4,pack_data_R8_I2,pack_data_R8_I1, &
|
||||
pack_data_R4_R8,pack_data_R4_I8,pack_data_R4_I4,pack_data_R4_I2,pack_data_R4_I1, &
|
||||
pack_data_I8_R8,pack_data_I8_R4,pack_data_I8_I4,pack_data_I8_I2,pack_data_I8_I1, &
|
||||
pack_data_I4_R8,pack_data_I4_R4,pack_data_I4_I8,pack_data_I4_I2,pack_data_I4_I1, &
|
||||
pack_data_I2_R8,pack_data_I2_R4,pack_data_I2_I8,pack_data_I2_I4,pack_data_I2_I1, &
|
||||
pack_data_I1_R8,pack_data_I1_R4,pack_data_I1_I8,pack_data_I1_I4,pack_data_I1_I2
|
||||
endinterface
|
||||
!-----------------------------------------------------------------------------------------------------------------------------------
|
||||
contains
|
||||
!> @ingroup Lib_Base64PrivateProcedure
|
||||
!> @{
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R8_R4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R8P), intent(IN):: a1(1:) !< Firs data stream.
|
||||
real(R4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R8_R4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R8_I8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R8_I8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R8_I4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R8_I4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R8_I2(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I2P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R8_I2
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R8_I1(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I1P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R8_I1
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R4_R8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R4P), intent(IN):: a1(1:) !< Firs data stream.
|
||||
real(R8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R4_R8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R4_I8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R4_I8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R4_I4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R4_I4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R4_I2(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I2P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R4_I2
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_R4_I1(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
real(R4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I1P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_R4_I1
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I8_R8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I8P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I8_R8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I8_R4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I8P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I8_R4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I8_I4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I8_I4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I8_I2(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I2P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I8_I2
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I8_I1(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I8P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I1P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I8_I1
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I4_R8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I4_R8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I4_R4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I4_R4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I4_I8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I4_I8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I4_I2(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I2P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I4_I2
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I4_I1(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I1P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I4_I1
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I2_R8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I2P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I2_R8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I2_R4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I2P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I2_R4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I2_I8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I2P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I2_I8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I2_I4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I2P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I2_I4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I2_I1(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I2P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I1P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I2_I1
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I1_R8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I1_R8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I1_R4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: a1(1:) !< First data stream.
|
||||
real(R4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I1_R4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I1_I8(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I8P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I1_I8
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I1_I4(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I4P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I1_I4
|
||||
|
||||
!> @brief Subroutine for packing different kinds of data into single I1P array.
|
||||
pure subroutine pack_data_I1_I2(a1,a2,packed)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: a1(1:) !< First data stream.
|
||||
integer(I2P), intent(IN):: a2(1:) !< Second data stream.
|
||||
integer(I1P), allocatable, intent(INOUT):: packed(:) !< Packed data into I1P array.
|
||||
integer(I1P), allocatable:: p1(:) !< Temporary packed data of first stream.
|
||||
integer(I1P), allocatable:: p2(:) !< Temporary packed data of second stream.
|
||||
integer(I4P):: np !< Size of temporary packed data.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
np = size(transfer(a1,p1)) ; allocate(p1(1:np)) ; p1 = transfer(a1,p1)
|
||||
np = size(transfer(a2,p2)) ; allocate(p2(1:np)) ; p2 = transfer(a2,p2)
|
||||
if (allocated(packed)) deallocate(packed) ; allocate(packed(1:size(p1,dim=1)+size(p2,dim=1))) ; packed = [p1,p2]
|
||||
deallocate(p1,p2)
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine pack_data_I1_I2
|
||||
|
||||
!> @brief Subroutine for encoding bits (must be multiple of 24 bits) into base64 charcaters code (of length multiple of 4).
|
||||
!> @note The bits stream are encoded in chunks of 24 bits as the following example (in little endian order):
|
||||
!> @code
|
||||
!> +--first octet--+-second octet--+--third octet--+
|
||||
!> |7 6 5 4 3 2 1 0|7 6 5 4 3 2 1 0|7 6 5 4 3 2 1 0|
|
||||
!> +-----------+---+-------+-------+---+-----------+
|
||||
!> |5 4 3 2 1 0|5 4 3 2 1 0|5 4 3 2 1 0|5 4 3 2 1 0|
|
||||
!> +--1.index--+--2.index--+--3.index--+--4.index--+
|
||||
!> @endcode
|
||||
!> The 4 indexes are stored into 4 elements 8 bits array, thus 2 bits of each array element are not used.
|
||||
pure subroutine encode_bits(bits,padd,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I1P), intent(IN):: bits(1:) !< Bits to be encoded.
|
||||
integer(I4P), intent(IN):: padd !< Number of padding characters ('=').
|
||||
character(1), intent(OUT):: code(1:) !< Characters code.
|
||||
integer(I1P):: sixb(1:4) !< 6 bits slices (stored into 8 bits integer) of 24 bits input.
|
||||
integer(I8P):: c,e !< Counters.
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
c = 1_I8P
|
||||
do e=1_I8P,size(bits,dim=1,kind=I8P),3_I8P ! loop over array elements: 3 bytes (24 bits) scanning
|
||||
sixb = 0_I1P
|
||||
call mvbits(bits(e ),2,6,sixb(1),0)
|
||||
call mvbits(bits(e ),0,2,sixb(2),4) ; call mvbits(bits(e+1),4,4,sixb(2),0)
|
||||
call mvbits(bits(e+1),0,4,sixb(3),2) ; call mvbits(bits(e+2),6,2,sixb(3),0)
|
||||
call mvbits(bits(e+2),0,6,sixb(4),0)
|
||||
sixb = sixb + 1_I1P
|
||||
code(c :c )(1:1) = base64(sixb(1):sixb(1))
|
||||
code(c+1:c+1)(1:1) = base64(sixb(2):sixb(2))
|
||||
code(c+2:c+2)(1:1) = base64(sixb(3):sixb(3))
|
||||
code(c+3:c+3)(1:1) = base64(sixb(4):sixb(4))
|
||||
c = c + 4_I8P
|
||||
enddo
|
||||
if (padd>0) code(size(code,dim=1)-padd+1:)(1:1)='='
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine encode_bits
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (R8P).
|
||||
pure subroutine b64_encode_R8_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
real(R8P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_R8_a
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (R4P).
|
||||
pure subroutine b64_encode_R4_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
real(R4P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_R4_a
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (I8P).
|
||||
pure subroutine b64_encode_I8_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
integer(I8P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_I8_a
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (I4P).
|
||||
pure subroutine b64_encode_I4_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
integer(I4P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_I4_a
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (I2P).
|
||||
pure subroutine b64_encode_I2_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
integer(I2P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_I2_a
|
||||
|
||||
!> @brief Subroutine for encoding array numbers to base64 (I1P).
|
||||
pure subroutine b64_encode_I1_a(nB,n,code)
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
implicit none
|
||||
integer(I4P), intent(IN):: nB !< Number of bytes of single element of n.
|
||||
integer(I1P), intent(IN):: n(1:) !< Array of numbers to be encoded.
|
||||
character(1), allocatable, intent(OUT):: code(:) !< Encoded array.
|
||||
integer(I1P):: nI1P(1:((size(n,dim=1)*nB+2)/3)*3) !< One byte integer array containing n.
|
||||
integer(I4P):: padd !< Number of padding characters ('=').
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
if (allocated(code)) deallocate(code) ; allocate(code(1:((size(n,dim=1)*nB+2)/3)*4)) ! allocating code chars
|
||||
nI1P = transfer(n,nI1P) ! casting n to integer array of 1 byte elem
|
||||
padd = mod((size(n,dim=1)*nB),3_I4P) ; if (padd>0_I4P) padd = 3_I4P - padd ! computing the number of padding characters
|
||||
call encode_bits(bits=nI1P,padd=padd,code=code) ! encoding bits
|
||||
return
|
||||
!---------------------------------------------------------------------------------------------------------------------------------
|
||||
endsubroutine b64_encode_I1_a
|
||||
|
||||
!!> @brief Subroutine for decoding array numbers from base64 (R8P).
|
||||
!pure subroutine b64_decode_R8_a(code,n)
|
||||
!!--------------------------------------------------------------------------------------------------------------------------------
|
||||
!implicit none
|
||||
!real(R8P), intent(OUT):: n(1:) !< Number to be decoded.
|
||||
!character(ncR8P*size(n,dim=1)), intent(IN):: code !< Encoded number.
|
||||
!integer(I4P):: c,d !< Counters.
|
||||
!!--------------------------------------------------------------------------------------------------------------------------------
|
||||
|
||||
!!--------------------------------------------------------------------------------------------------------------------------------
|
||||
!d = 1_I4P
|
||||
!do c=1,len(code),ncR8P
|
||||
! call b64_decode_R8_s(code=code(c:c+ncR8P-1),n=n(d))
|
||||
! d = d + 1_I4P
|
||||
!enddo
|
||||
!return
|
||||
!!--------------------------------------------------------------------------------------------------------------------------------
|
||||
!endsubroutine b64_decode_R8_a
|
||||
!> @}
|
||||
endmodule Lib_Base64
|
||||
6070
lib/Lib_VTK_IO.f90
6070
lib/Lib_VTK_IO.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -1,2 +1,3 @@
|
|||
core.so
|
||||
corientation.so
|
||||
*.pyx
|
||||
|
|
|
|||
|
|
@ -1,7 +1,7 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
"""Main aggregator"""
|
||||
import sys, os
|
||||
import os
|
||||
|
||||
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
|
||||
version = f.readline()[:-1]
|
||||
|
|
@ -10,47 +10,13 @@ from .environment import Environment # noqa
|
|||
from .asciitable import ASCIItable # noqa
|
||||
from .config import Material # noqa
|
||||
from .colormaps import Colormap, Color # noqa
|
||||
from .orientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa
|
||||
# try:
|
||||
# from .corientation import Quaternion, Rodrigues, Symmetry, Orientation
|
||||
# print "Import Cython version of Orientation module"
|
||||
# except:
|
||||
# from .orientation import Quaternion, Rodrigues, Symmetry, Orientation
|
||||
try:
|
||||
from .corientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa
|
||||
except:
|
||||
from .orientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa
|
||||
#from .block import Block # only one class
|
||||
from .result import Result # noqa
|
||||
from .geometry import Geometry # noqa
|
||||
from .solver import Solver # noqa
|
||||
from .test import Test # noqa
|
||||
from .util import extendableOption # noqa
|
||||
|
||||
try:
|
||||
from . import core
|
||||
# cleaning up namespace
|
||||
###################################################################################################
|
||||
# capitalize according to convention
|
||||
core.IO = core.io
|
||||
core.FEsolving = core.fesolving
|
||||
core.DAMASK_interface = core.damask_interface
|
||||
# remove modulePrefix_
|
||||
core.prec.init = core.prec.prec_init
|
||||
core.DAMASK_interface.init = core.DAMASK_interface.DAMASK_interface_init
|
||||
core.IO.init = core.IO.IO_init
|
||||
core.numerics.init = core.numerics.numerics_init
|
||||
core.debug.init = core.debug.debug_init
|
||||
core.math.init = core.math.math_init
|
||||
core.math.tensorAvg = core.math.math_tensorAvg
|
||||
core.FEsolving.init = core.FEsolving.FE_init
|
||||
core.mesh.init = core.mesh.mesh_init
|
||||
core.mesh.nodesAroundCentres = core.mesh.mesh_nodesAroundCentres
|
||||
core.mesh.deformedCoordsFFT = core.mesh.mesh_deformedCoordsFFT
|
||||
core.mesh.volumeMismatch = core.mesh.mesh_volumeMismatch
|
||||
core.mesh.shapeMismatch = core.mesh.mesh_shapeMismatch
|
||||
|
||||
except (ImportError,AttributeError) as e:
|
||||
core = None # from http://www.python.org/dev/peps/pep-0008/
|
||||
if os.path.split(sys.argv[0])[1] not in ('symLink_Processing.py',
|
||||
'compile_CoreModule.py',
|
||||
):
|
||||
sys.stderr.write('\nWARNING: Core module (Fortran code) not available, \n'\
|
||||
"try to run 'make processing'\n"\
|
||||
'Error message when importing core.so: %s\n\n'%e)
|
||||
|
|
|
|||
|
|
@ -15,6 +15,7 @@ class Color():
|
|||
__slots__ = [
|
||||
'model',
|
||||
'color',
|
||||
'__dict__',
|
||||
]
|
||||
|
||||
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
|
|
@ -13,7 +13,7 @@ class Abaqus(Solver):
|
|||
import subprocess
|
||||
process = subprocess.Popen(['abaqus', 'information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
|
||||
self.version = process.stdout.readlines()[1].split()[1]
|
||||
print self.version
|
||||
print(self.version)
|
||||
else:
|
||||
self.version = version
|
||||
|
||||
|
|
|
|||
|
|
@ -415,7 +415,7 @@ def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
|
|||
try:
|
||||
cov_x = inv(np.dot(np.transpose(R), R))
|
||||
except LinAlgError as inverror:
|
||||
print inverror
|
||||
print(inverror)
|
||||
pass
|
||||
return (x, cov_x) + retval[1:-1] + (mesg, info)
|
||||
else:
|
||||
|
|
@ -464,4 +464,4 @@ def curve_fit_bound(f, xdata, ydata, p0=None, sigma=None, bounds=None, **kw):
|
|||
else:
|
||||
pcov = np.inf
|
||||
|
||||
return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov)
|
||||
return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov)
|
||||
1226
lib/fftw3.f03
1226
lib/fftw3.f03
File diff suppressed because it is too large
Load Diff
|
|
@ -1,433 +0,0 @@
|
|||
#!/usr/bin/env python2
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys,re,fnmatch,vtk
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
def outStdout(cmd,locals):
|
||||
if cmd[0:3] == '(!)':
|
||||
exec(cmd[3:])
|
||||
elif cmd[0:3] == '(?)':
|
||||
cmd = eval(cmd[3:])
|
||||
print cmd
|
||||
else:
|
||||
print cmd
|
||||
return
|
||||
|
||||
def outFile(cmd,locals):
|
||||
if cmd[0:3] == '(!)':
|
||||
exec(cmd[3:])
|
||||
elif cmd[0:3] == '(?)':
|
||||
cmd = eval(cmd[3:])
|
||||
locals['filepointer'].write(cmd+'\n')
|
||||
else:
|
||||
locals['filepointer'].write(cmd+'\n')
|
||||
return
|
||||
|
||||
|
||||
def output(cmds,locals,dest):
|
||||
for cmd in cmds:
|
||||
if isinstance(cmd,list):
|
||||
output(cmd,locals,dest)
|
||||
else:
|
||||
{\
|
||||
'File': outFile,\
|
||||
'Stdout': outStdout,\
|
||||
}[dest](str(cmd),locals)
|
||||
return
|
||||
|
||||
|
||||
def transliterateToFloat(x):
|
||||
try:
|
||||
return float(x)
|
||||
except:
|
||||
return 0.0
|
||||
|
||||
|
||||
def unravel(item):
|
||||
if hasattr(item,'__contains__'): return ' '.join(map(unravel,item))
|
||||
else: return str(item)
|
||||
|
||||
|
||||
# ++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||
def vtk_writeASCII_mesh(mesh,data,res,sep):
|
||||
"""function writes data array defined on a hexahedral mesh (geometry)"""
|
||||
info = {\
|
||||
'tensor': {'name':'tensor','len':9},\
|
||||
'vector': {'name':'vector','len':3},\
|
||||
'scalar': {'name':'scalar','len':1},\
|
||||
'double': {'name':'scalar','len':2},\
|
||||
'triple': {'name':'scalar','len':3},\
|
||||
'quadruple': {'name':'scalar','len':4},\
|
||||
}
|
||||
N1 = (res[0]+1)*(res[1]+1)*(res[2]+1)
|
||||
N = res[0]*res[1]*res[2]
|
||||
|
||||
cmds = [\
|
||||
'# vtk DataFile Version 3.1',
|
||||
'powered by %s'%scriptID,
|
||||
'ASCII',
|
||||
'DATASET UNSTRUCTURED_GRID',
|
||||
'POINTS %i double'%N1,
|
||||
[[['\t'.join(map(str,mesh[:,i,j,k])) for i in range(res[0]+1)] for j in range(res[1]+1)] for k in range(res[2]+1)],
|
||||
'CELLS %i %i'%(N,N*9),
|
||||
]
|
||||
|
||||
# cells
|
||||
for z in range (res[2]):
|
||||
for y in range (res[1]):
|
||||
for x in range (res[0]):
|
||||
base = z*(res[1]+1)*(res[0]+1)+y*(res[0]+1)+x
|
||||
cmds.append('8 '+'\t'.join(map(str,[ \
|
||||
base,
|
||||
base+1,
|
||||
base+res[0]+2,
|
||||
base+res[0]+1,
|
||||
base+(res[1]+1)*(res[0]+1),
|
||||
base+(res[1]+1)*(res[0]+1)+1,
|
||||
base+(res[1]+1)*(res[0]+1)+res[0]+2,
|
||||
base+(res[1]+1)*(res[0]+1)+res[0]+1,
|
||||
])))
|
||||
cmds += [\
|
||||
'CELL_TYPES %i'%N,
|
||||
['12']*N,
|
||||
'CELL_DATA %i'%N,
|
||||
]
|
||||
|
||||
for type in data:
|
||||
plural = {True:'',False:'S'}[type.lower().endswith('s')]
|
||||
for item in data[type]['_order_']:
|
||||
cmds += [\
|
||||
'%s %s double'%(info[type]['name'].upper()+plural,item),
|
||||
{True:'LOOKUP_TABLE default',False:''}[info[type]['name'][:3]=='sca'],
|
||||
[[[sep.join(map(unravel,data[type][item][:,j,k]))] for j in range(res[1])] for k in range(res[2])],
|
||||
]
|
||||
|
||||
return cmds
|
||||
|
||||
#+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||
def vtk_writeASCII_points(coordinates,data,res,sep):
|
||||
"""function writes data array defined on a point field"""
|
||||
N = res[0]*res[1]*res[2]
|
||||
|
||||
cmds = [\
|
||||
'# vtk DataFile Version 3.1',
|
||||
'powered by %s'%scriptID,
|
||||
'ASCII',
|
||||
'DATASET UNSTRUCTURED_GRID',
|
||||
'POINTS %i double'%N,
|
||||
[[['\t'.join(map(str,coordinates[i,j,k])) for i in range(res[0])] for j in range(res[1])] for k in range(res[2])],
|
||||
'CELLS %i %i'%(N,N*2),
|
||||
['1\t%i'%i for i in range(N)],
|
||||
'CELL_TYPES %i'%N,
|
||||
['1']*N,
|
||||
'POINT_DATA %i'%N,
|
||||
]
|
||||
|
||||
for type in data:
|
||||
plural = {True:'',False:'S'}[type.lower().endswith('s')]
|
||||
for item in data[type]:
|
||||
cmds += [\
|
||||
'%s %s double'%(type.upper()+plural,item),
|
||||
{True:'LOOKUP_TABLE default',False:''}[type.lower()[:3]=='sca'],
|
||||
[[[sep.join(map(unravel,data[type][item][:,j,k]))] for j in range(res[1])] for k in range(res[2])],
|
||||
]
|
||||
|
||||
return cmds
|
||||
|
||||
|
||||
# ----------------------- MAIN -------------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog [options] datafile[s]', description = """
|
||||
Produce VTK file from data field.
|
||||
Coordinates are taken from (consecutive) x, y, and z columns.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
sepChoices = ['n','t','s']
|
||||
parser.add_option('-s', '--scalar', dest='scalar', action='extend', metavar = '<string LIST>',
|
||||
help='list of single scalars to visualize')
|
||||
parser.add_option( '--double', dest='double', action='extend', metavar = '<string LIST>',
|
||||
help='list of two scalars to visualize')
|
||||
parser.add_option( '--triple', dest='triple', action='extend', metavar = '<string LIST>',
|
||||
help='list of three scalars to visualize')
|
||||
parser.add_option( '--quadruple', dest='quadruple', action='extend', metavar = '<string LIST>',
|
||||
help='list of four scalars to visualize')
|
||||
parser.add_option('-v', '--vector', dest='vector', action='extend', metavar = '<string LIST>',
|
||||
help='list of vectors to visualize')
|
||||
parser.add_option('-t', '--tensor', dest='tensor', action='extend', metavar = '<string LIST>',
|
||||
help='list of tensors to visualize')
|
||||
parser.add_option('-d', '--deformation', dest='defgrad', metavar = 'string',
|
||||
help='heading of deformation gradient columns [%default]')
|
||||
parser.add_option('--reference', dest='undeformed', action='store_true',
|
||||
help='map results to reference (undeformed) configuration [%default]')
|
||||
parser.add_option('-c','--cell', dest='cell', action='store_true',
|
||||
help='data is cell-centered [%default]')
|
||||
parser.add_option('-p','--vertex', dest='cell', action='store_false',
|
||||
help='data is vertex-centered')
|
||||
parser.add_option('--mesh', dest='output_mesh', action='store_true',
|
||||
help='produce VTK mesh file [%default]')
|
||||
parser.add_option('--nomesh', dest='output_mesh', action='store_false',
|
||||
help='omit VTK mesh file')
|
||||
parser.add_option('--points', dest='output_points', action='store_true',
|
||||
help='produce VTK points file [%default]')
|
||||
parser.add_option('--nopoints', dest='output_points', action='store_false',
|
||||
help='omit VTK points file')
|
||||
parser.add_option('--separator', dest='separator', type='choice', choices=sepChoices, metavar='string',
|
||||
help='data separator {%s} [t]'%(' '.join(map(str,sepChoices))))
|
||||
parser.add_option('--scaling', dest='scaling', action='extend', metavar = '<float LIST>',
|
||||
help='scaling of fluctuation')
|
||||
parser.add_option('-u', '--unitlength', dest='unitlength', type='float', metavar = 'float',
|
||||
help='set unit length for 2D model [%default]')
|
||||
|
||||
parser.set_defaults(defgrad = 'f')
|
||||
parser.set_defaults(separator = 't')
|
||||
parser.set_defaults(scalar = [])
|
||||
parser.set_defaults(double = [])
|
||||
parser.set_defaults(triple = [])
|
||||
parser.set_defaults(quadruple = [])
|
||||
parser.set_defaults(vector = [])
|
||||
parser.set_defaults(tensor = [])
|
||||
parser.set_defaults(output_mesh = True)
|
||||
parser.set_defaults(output_points = False)
|
||||
parser.set_defaults(scaling = [])
|
||||
parser.set_defaults(undeformed = False)
|
||||
parser.set_defaults(unitlength = 0.0)
|
||||
parser.set_defaults(cell = True)
|
||||
|
||||
sep = {'n': '\n', 't': '\t', 's': ' '}
|
||||
|
||||
(options, args) = parser.parse_args()
|
||||
|
||||
options.scaling += [1.0 for i in xrange(max(0,3-len(options.scaling)))]
|
||||
options.scaling = map(float, options.scaling)
|
||||
|
||||
for filename in args:
|
||||
if not os.path.exists(filename):
|
||||
continue
|
||||
file = open(filename)
|
||||
content = file.readlines()
|
||||
file.close()
|
||||
m = re.search('(\d+)\s*head', content[0].lower())
|
||||
if m is None:
|
||||
continue
|
||||
print filename,'\n'
|
||||
sys.stdout.flush()
|
||||
|
||||
headrow = int(m.group(1))
|
||||
headings = content[headrow].split()
|
||||
column = {}
|
||||
matches = {}
|
||||
maxcol = 0
|
||||
locol = -1
|
||||
|
||||
for col,head in enumerate(headings):
|
||||
if head == {True:'1_pos',False:'1_nodeinitialcoord'}[options.cell]:
|
||||
locol = col
|
||||
maxcol = max(maxcol,col+3)
|
||||
break
|
||||
|
||||
if locol < 0:
|
||||
print 'missing coordinates..!'
|
||||
continue
|
||||
|
||||
column['tensor'] = {}
|
||||
matches['tensor'] = {}
|
||||
for label in [options.defgrad] + options.tensor:
|
||||
column['tensor'][label] = -1
|
||||
for col,head in enumerate(headings):
|
||||
if head == label or head == '1_'+label:
|
||||
column['tensor'][label] = col
|
||||
maxcol = max(maxcol,col+9)
|
||||
matches['tensor'][label] = [label]
|
||||
break
|
||||
|
||||
if not options.undeformed and column['tensor'][options.defgrad] < 0:
|
||||
print 'missing deformation gradient "%s"..!'%options.defgrad
|
||||
continue
|
||||
|
||||
column['vector'] = {}
|
||||
matches['vector'] = {}
|
||||
for label in options.vector:
|
||||
column['vector'][label] = -1
|
||||
for col,head in enumerate(headings):
|
||||
if head == label or head == '1_'+label:
|
||||
column['vector'][label] = col
|
||||
maxcol = max(maxcol,col+3)
|
||||
matches['vector'][label] = [label]
|
||||
break
|
||||
|
||||
for length,what in enumerate(['scalar','double','triple','quadruple']):
|
||||
column[what] = {}
|
||||
labels = eval("options.%s"%what)
|
||||
matches[what] = {}
|
||||
for col,head in enumerate(headings):
|
||||
for needle in labels:
|
||||
if fnmatch.fnmatch(head,needle):
|
||||
column[what][head] = col
|
||||
maxcol = max(maxcol,col+1+length)
|
||||
if needle not in matches[what]:
|
||||
matches[what][needle] = [head]
|
||||
else:
|
||||
matches[what][needle] += [head]
|
||||
|
||||
|
||||
values = np.array(sorted([map(transliterateToFloat,line.split()[:maxcol]) for line in content[headrow+1:]],
|
||||
key=lambda x:(x[locol+0],x[locol+1],x[locol+2])),'d') # sort with z as fastest and x as slowest index
|
||||
values2 = np.array([map(transliterateToFloat,line.split()[:maxcol]) for line in content[headrow+1:]],'d') # sort with x as fastest and z as slowest index
|
||||
|
||||
N = len(values)
|
||||
|
||||
tempGrid = [{},{},{}]
|
||||
for j in xrange(3):
|
||||
for i in xrange(N):
|
||||
tempGrid[j][str(values[i,locol+j])] = True
|
||||
|
||||
grid = np.array([len(tempGrid[0]),\
|
||||
len(tempGrid[1]),\
|
||||
len(tempGrid[2]),],'i')
|
||||
|
||||
dim = np.ones(3)
|
||||
|
||||
for i,r in enumerate(grid):
|
||||
if r > 1:
|
||||
dim[i] = (max(map(float,tempGrid[i].keys()))-min(map(float,tempGrid[i].keys())))*r/(r-1.0)
|
||||
if grid[2]==1: # for 2D case set undefined dimension to given unitlength or alternatively give it the length of the smallest element
|
||||
if options.unitlength == 0.0:
|
||||
dim[2] = min(dim/grid)
|
||||
else:
|
||||
dim[2] = options.unitlength
|
||||
print dim
|
||||
if options.undeformed:
|
||||
Favg = np.eye(3)
|
||||
else:
|
||||
Favg = damask.core.math.tensorAvg(
|
||||
np.reshape(np.transpose(values[:,column['tensor'][options.defgrad]:
|
||||
column['tensor'][options.defgrad]+9]),
|
||||
(3,3,grid[0],grid[1],grid[2])))
|
||||
|
||||
F = np.reshape(np.transpose(values[:,column['tensor'][options.defgrad]:
|
||||
column['tensor'][options.defgrad]+9]),
|
||||
(3,3,grid[0],grid[1],grid[2]))
|
||||
centroids = damask.core.mesh.deformedCoordsFFT(dim,F,Favg,options.scaling)
|
||||
nodes = damask.core.mesh.nodesAroundCentres(dim,Favg,centroids)
|
||||
|
||||
fields = {\
|
||||
'tensor': {},\
|
||||
'vector': {},\
|
||||
'scalar': {},\
|
||||
'double': {},\
|
||||
'triple': {},\
|
||||
'quadruple': {},\
|
||||
}
|
||||
reshape = {\
|
||||
'tensor': [3,3],\
|
||||
'vector': [3],\
|
||||
'scalar': [],\
|
||||
'double': [2],\
|
||||
'triple': [3],\
|
||||
'quadruple': [4],\
|
||||
}
|
||||
length = {\
|
||||
'tensor': 9,\
|
||||
'vector': 3,\
|
||||
'scalar': 1,\
|
||||
'double': 2,\
|
||||
'triple': 3,\
|
||||
'quadruple': 4,\
|
||||
}
|
||||
|
||||
|
||||
# vtk lib out
|
||||
if False:
|
||||
points = vtk.vtkPoints()
|
||||
for z in range (grid[2]+1):
|
||||
for y in range (grid[1]+1):
|
||||
for x in range (grid[0]+1):
|
||||
points.InsertNextPoint(nodes[:,x,y,z])
|
||||
|
||||
data=[]
|
||||
j=0
|
||||
for datatype in fields.keys():
|
||||
for what in eval('options.'+datatype):
|
||||
for label in matches[datatype][what]:
|
||||
col = column[datatype][label]
|
||||
if col != -1:
|
||||
data.append(vtk.vtkFloatArray())
|
||||
data[j].SetNumberOfComponents(length[datatype])
|
||||
for i in xrange(grid[2]*grid[1]*grid[0]):
|
||||
for k in xrange(length[datatype]):
|
||||
data[j].InsertNextValue(values2[i,col+k])
|
||||
data[j].SetName(label)
|
||||
j+=1
|
||||
|
||||
if options.output_mesh:
|
||||
hexs = vtk.vtkCellArray()
|
||||
i = 0
|
||||
elems=[]
|
||||
for z in range (grid[2]):
|
||||
for y in range (grid[1]):
|
||||
for x in range (grid[0]):
|
||||
|
||||
elems.append(vtk.vtkHexahedron())
|
||||
base = z*(grid[1]+1)*(grid[0]+1)+y*(grid[0]+1)+x
|
||||
elems[i].GetPointIds().SetId(0, base)
|
||||
elems[i].GetPointIds().SetId(1, base+1)
|
||||
elems[i].GetPointIds().SetId(2, base+grid[0]+2)
|
||||
elems[i].GetPointIds().SetId(3, base+grid[0]+1)
|
||||
elems[i].GetPointIds().SetId(4, base+(grid[1]+1)*(grid[0]+1))
|
||||
elems[i].GetPointIds().SetId(5, base+(grid[1]+1)*(grid[0]+1)+1)
|
||||
elems[i].GetPointIds().SetId(6, base+(grid[1]+1)*(grid[0]+1)+grid[0]+2)
|
||||
elems[i].GetPointIds().SetId(7, base+(grid[1]+1)*(grid[0]+1)+grid[0]+1)
|
||||
hexs.InsertNextCell(elems[i])
|
||||
i+=1
|
||||
|
||||
uGrid = vtk.vtkUnstructuredGrid()
|
||||
uGrid.SetPoints(points)
|
||||
i = 0
|
||||
for z in range (grid[2]):
|
||||
for y in range (grid[1]):
|
||||
for x in range (grid[0]):
|
||||
uGrid.InsertNextCell(elems[i].GetCellType(), elems[i].GetPointIds())
|
||||
i+=1
|
||||
|
||||
for i in xrange(len(data)):
|
||||
uGrid.GetCellData().AddArray(data[i])
|
||||
|
||||
outWriter = vtk.vtkXMLUnstructuredGridWriter()
|
||||
outWriter.SetDataModeToBinary()
|
||||
outWriter.SetCompressorTypeToZLib()
|
||||
(head,tail) = os.path.split(filename)
|
||||
outWriter.SetFileName(os.path.join(head,'mesh_'+os.path.splitext(tail)[0]+'.vtu'))
|
||||
outWriter.SetInput(uGrid)
|
||||
outWriter.Write()
|
||||
|
||||
|
||||
for datatype in fields.keys():
|
||||
print '\n%s:'%datatype,
|
||||
fields[datatype]['_order_'] = []
|
||||
for what in eval('options.'+datatype):
|
||||
for label in matches[datatype][what]:
|
||||
col = column[datatype][label]
|
||||
if col != -1:
|
||||
print label,
|
||||
fields[datatype][label] = np.reshape(values[:,col:col+length[datatype]],[grid[0],grid[1],grid[2]]+reshape[datatype])
|
||||
fields[datatype]['_order_'] += [label]
|
||||
print '\n'
|
||||
|
||||
out = {}
|
||||
if options.output_mesh: out['mesh'] = vtk_writeASCII_mesh(nodes,fields,grid,sep[options.separator])
|
||||
if options.output_points: out['points'] = vtk_writeASCII_points(centroids,fields,grid,sep[options.separator])
|
||||
|
||||
for what in out.keys():
|
||||
print what
|
||||
(head,tail) = os.path.split(filename)
|
||||
vtk = open(os.path.join(head,what+'_'+os.path.splitext(tail)[0]+'.vtk'), 'w')
|
||||
output(out[what],{'filepointer':vtk},'File')
|
||||
vtk.close()
|
||||
print
|
||||
|
|
@ -1,14 +1,210 @@
|
|||
#!/usr/bin/env python2
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys
|
||||
import os
|
||||
import math
|
||||
import numpy as np
|
||||
import scipy.ndimage
|
||||
from optparse import OptionParser
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
def cell2node(cellData,grid):
|
||||
|
||||
nodeData = 0.0
|
||||
datalen = np.array(cellData.shape[3:]).prod()
|
||||
|
||||
for i in xrange(datalen):
|
||||
node = scipy.ndimage.convolve(cellData.reshape(tuple(grid[::-1])+(datalen,))[...,i],
|
||||
np.ones((2,2,2))/8., # 2x2x2 neighborhood of cells
|
||||
mode = 'wrap',
|
||||
origin = -1, # offset to have cell origin as center
|
||||
) # now averaged at cell origins
|
||||
node = np.append(node,node[np.newaxis,0,:,:,...],axis=0) # wrap along z
|
||||
node = np.append(node,node[:,0,np.newaxis,:,...],axis=1) # wrap along y
|
||||
node = np.append(node,node[:,:,0,np.newaxis,...],axis=2) # wrap along x
|
||||
|
||||
nodeData = node[...,np.newaxis] if i==0 else np.concatenate((nodeData,node[...,np.newaxis]),axis=-1)
|
||||
|
||||
return nodeData
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
def deformationAvgFFT(F,grid,size,nodal=False,transformed=False):
|
||||
"""calculate average cell center (or nodal) deformation for deformation gradient field specified in each grid cell"""
|
||||
if nodal:
|
||||
x, y, z = np.meshgrid(np.linspace(0,size[2],1+grid[2]),
|
||||
np.linspace(0,size[1],1+grid[1]),
|
||||
np.linspace(0,size[0],1+grid[0]),
|
||||
indexing = 'ij')
|
||||
else:
|
||||
x, y, z = np.meshgrid(np.linspace(size[2]/grid[2]/2.,size[2]-size[2]/grid[2]/2.,grid[2]),
|
||||
np.linspace(size[1]/grid[1]/2.,size[1]-size[1]/grid[1]/2.,grid[1]),
|
||||
np.linspace(size[0]/grid[0]/2.,size[0]-size[0]/grid[0]/2.,grid[0]),
|
||||
indexing = 'ij')
|
||||
|
||||
origCoords = np.concatenate((z[:,:,:,None],y[:,:,:,None],x[:,:,:,None]),axis = 3)
|
||||
|
||||
F_fourier = F if transformed else np.fft.rfftn(F,axes=(0,1,2)) # transform or use provided data
|
||||
Favg = np.real(F_fourier[0,0,0,:,:])/grid.prod() # take zero freq for average
|
||||
avgDeformation = np.einsum('ml,ijkl->ijkm',Favg,origCoords) # dX = Favg.X
|
||||
|
||||
return avgDeformation
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
def displacementFluctFFT(F,grid,size,nodal=False,transformed=False):
|
||||
"""calculate cell center (or nodal) displacement for deformation gradient field specified in each grid cell"""
|
||||
integrator = 0.5j * size / math.pi
|
||||
|
||||
kk, kj, ki = np.meshgrid(np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2])),
|
||||
np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1])),
|
||||
np.arange(grid[0]//2+1),
|
||||
indexing = 'ij')
|
||||
k_s = np.concatenate((ki[:,:,:,None],kj[:,:,:,None],kk[:,:,:,None]),axis = 3)
|
||||
k_sSquared = np.einsum('...l,...l',k_s,k_s)
|
||||
k_sSquared[0,0,0] = 1.0 # ignore global average frequency
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# integration in Fourier space
|
||||
|
||||
displacement_fourier = -np.einsum('ijkml,ijkl,l->ijkm',
|
||||
F if transformed else np.fft.rfftn(F,axes=(0,1,2)),
|
||||
k_s,
|
||||
integrator,
|
||||
) / k_sSquared[...,np.newaxis]
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# backtransformation to real space
|
||||
|
||||
displacement = np.fft.irfftn(displacement_fourier,grid[::-1],axes=(0,1,2))
|
||||
|
||||
return cell2node(displacement,grid) if nodal else displacement
|
||||
|
||||
|
||||
def volTetrahedron(coords):
|
||||
"""
|
||||
Return the volume of the tetrahedron with given vertices or sides.
|
||||
|
||||
Ifvertices are given they must be in a NumPy array with shape (4,3): the
|
||||
position vectors of the 4 vertices in 3 dimensions; if the six sides are
|
||||
given, they must be an array of length 6. If both are given, the sides
|
||||
will be used in the calculation.
|
||||
|
||||
This method implements
|
||||
Tartaglia's formula using the Cayley-Menger determinant:
|
||||
|0 1 1 1 1 |
|
||||
|1 0 s1^2 s2^2 s3^2|
|
||||
288 V^2 = |1 s1^2 0 s4^2 s5^2|
|
||||
|1 s2^2 s4^2 0 s6^2|
|
||||
|1 s3^2 s5^2 s6^2 0 |
|
||||
where s1, s2, ..., s6 are the tetrahedron side lengths.
|
||||
|
||||
from http://codereview.stackexchange.com/questions/77593/calculating-the-volume-of-a-tetrahedron
|
||||
"""
|
||||
# The indexes of rows in the vertices array corresponding to all
|
||||
# possible pairs of vertices
|
||||
vertex_pair_indexes = np.array(((0, 1), (0, 2), (0, 3),
|
||||
(1, 2), (1, 3), (2, 3)))
|
||||
|
||||
# Get all the squares of all side lengths from the differences between
|
||||
# the 6 different pairs of vertex positions
|
||||
vertices = np.concatenate((coords[0],coords[1],coords[2],coords[3])).reshape([4,3])
|
||||
vertex1, vertex2 = vertex_pair_indexes[:,0], vertex_pair_indexes[:,1]
|
||||
sides_squared = np.sum((vertices[vertex1] - vertices[vertex2])**2,axis=-1)
|
||||
|
||||
|
||||
# Set up the Cayley-Menger determinant
|
||||
M = np.zeros((5,5))
|
||||
# Fill in the upper triangle of the matrix
|
||||
M[0,1:] = 1
|
||||
# The squared-side length elements can be indexed using the vertex
|
||||
# pair indices (compare with the determinant illustrated above)
|
||||
M[tuple(zip(*(vertex_pair_indexes + 1)))] = sides_squared
|
||||
|
||||
# The matrix is symmetric, so we can fill in the lower triangle by
|
||||
# adding the transpose
|
||||
M = M + M.T
|
||||
return np.sqrt(np.linalg.det(M) / 288)
|
||||
|
||||
|
||||
def volumeMismatch(size,F,nodes):
|
||||
"""
|
||||
calculates the volume mismatch
|
||||
|
||||
volume mismatch is defined as the difference between volume of reconstructed
|
||||
(compatible) cube and determinant of defgrad at the FP
|
||||
"""
|
||||
coords = np.empty([8,3])
|
||||
vMismatch = np.empty(grid[::-1])
|
||||
volInitial = size.prod()/grid.prod()
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# calculate actual volume and volume resulting from deformation gradient
|
||||
for k in xrange(grid[2]):
|
||||
for j in xrange(grid[1]):
|
||||
for i in xrange(grid[0]):
|
||||
coords[0,0:3] = nodes[k, j, i ,0:3]
|
||||
coords[1,0:3] = nodes[k ,j, i+1,0:3]
|
||||
coords[2,0:3] = nodes[k ,j+1,i+1,0:3]
|
||||
coords[3,0:3] = nodes[k, j+1,i ,0:3]
|
||||
coords[4,0:3] = nodes[k+1,j, i ,0:3]
|
||||
coords[5,0:3] = nodes[k+1,j, i+1,0:3]
|
||||
coords[6,0:3] = nodes[k+1,j+1,i+1,0:3]
|
||||
coords[7,0:3] = nodes[k+1,j+1,i ,0:3]
|
||||
vMismatch[k,j,i] = \
|
||||
( abs(volTetrahedron([coords[6,0:3],coords[0,0:3],coords[7,0:3],coords[3,0:3]])) \
|
||||
+ abs(volTetrahedron([coords[6,0:3],coords[0,0:3],coords[7,0:3],coords[4,0:3]])) \
|
||||
+ abs(volTetrahedron([coords[6,0:3],coords[0,0:3],coords[2,0:3],coords[3,0:3]])) \
|
||||
+ abs(volTetrahedron([coords[6,0:3],coords[0,0:3],coords[2,0:3],coords[1,0:3]])) \
|
||||
+ abs(volTetrahedron([coords[6,0:3],coords[4,0:3],coords[1,0:3],coords[5,0:3]])) \
|
||||
+ abs(volTetrahedron([coords[6,0:3],coords[4,0:3],coords[1,0:3],coords[0,0:3]]))) \
|
||||
/np.linalg.det(F[k,j,i,0:3,0:3])
|
||||
return vMismatch/volInitial
|
||||
|
||||
|
||||
|
||||
def shapeMismatch(size,F,nodes,centres):
|
||||
"""
|
||||
Routine to calculate the shape mismatch
|
||||
|
||||
shape mismatch is defined as difference between the vectors from the central point to
|
||||
the corners of reconstructed (combatible) volume element and the vectors calculated by deforming
|
||||
the initial volume element with the current deformation gradient
|
||||
"""
|
||||
coordsInitial = np.empty([8,3])
|
||||
sMismatch = np.empty(grid[::-1])
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# initial positions
|
||||
coordsInitial[0,0:3] = [-size[0]/grid[0],-size[1]/grid[1],-size[2]/grid[2]]
|
||||
coordsInitial[1,0:3] = [+size[0]/grid[0],-size[1]/grid[1],-size[2]/grid[2]]
|
||||
coordsInitial[2,0:3] = [+size[0]/grid[0],+size[1]/grid[1],-size[2]/grid[2]]
|
||||
coordsInitial[3,0:3] = [-size[0]/grid[0],+size[1]/grid[1],-size[2]/grid[2]]
|
||||
coordsInitial[4,0:3] = [-size[0]/grid[0],-size[1]/grid[1],+size[2]/grid[2]]
|
||||
coordsInitial[5,0:3] = [+size[0]/grid[0],-size[1]/grid[1],+size[2]/grid[2]]
|
||||
coordsInitial[6,0:3] = [+size[0]/grid[0],+size[1]/grid[1],+size[2]/grid[2]]
|
||||
coordsInitial[7,0:3] = [-size[0]/grid[0],+size[1]/grid[1],+size[2]/grid[2]]
|
||||
coordsInitial = coordsInitial/2.0
|
||||
|
||||
#--------------------------------------------------------------------------------------------------
|
||||
# compare deformed original and deformed positions to actual positions
|
||||
for k in xrange(grid[2]):
|
||||
for j in xrange(grid[1]):
|
||||
for i in xrange(grid[0]):
|
||||
sMismatch[k,j,i] = \
|
||||
+ np.linalg.norm(nodes[k, j, i ,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[0,0:3]))\
|
||||
+ np.linalg.norm(nodes[k, j, i+1,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[1,0:3]))\
|
||||
+ np.linalg.norm(nodes[k, j+1,i+1,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[2,0:3]))\
|
||||
+ np.linalg.norm(nodes[k, j+1,i ,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[3,0:3]))\
|
||||
+ np.linalg.norm(nodes[k+1,j, i ,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[4,0:3]))\
|
||||
+ np.linalg.norm(nodes[k+1,j, i+1,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[5,0:3]))\
|
||||
+ np.linalg.norm(nodes[k+1,j+1,i+1,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[6,0:3]))\
|
||||
+ np.linalg.norm(nodes[k+1,j+1,i ,0:3] - centres[k,j,i,0:3] - np.dot(F[k,j,i,:,:], coordsInitial[7,0:3]))
|
||||
return sMismatch
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
|
@ -64,79 +260,78 @@ for name in filenames:
|
|||
errors = []
|
||||
remarks = []
|
||||
|
||||
if table.label_dimension(options.pos) != 3:
|
||||
errors.append('coordinates "{}" are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
if table.label_dimension(options.defgrad) != 9:
|
||||
errors.append('deformation gradient "{}" is not a tensor.'.format(options.defgrad))
|
||||
else: colF = table.label_index(options.defgrad)
|
||||
errors.append('deformation gradient "{}" is not a 3x3 tensor.'.format(options.defgrad))
|
||||
|
||||
coordDim = table.label_dimension(options.pos)
|
||||
if not 3 >= coordDim >= 1:
|
||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
||||
elif coordDim < 3:
|
||||
remarks.append('appending {} dimension{} to coordinates "{}"...'.format(3-coordDim,
|
||||
's' if coordDim < 2 else '',
|
||||
options.pos))
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
table.close(dismiss=True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header --------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
if options.shape: table.labels_append('shapeMismatch({})'.format(options.defgrad))
|
||||
if options.volume: table.labels_append('volMismatch({})'.format(options.defgrad))
|
||||
|
||||
# --------------- figure out size and grid ---------------------------------------------------------
|
||||
|
||||
table.data_readArray()
|
||||
table.data_readArray([options.defgrad,options.pos])
|
||||
table.data_rewind()
|
||||
|
||||
coords = [np.unique(table.data[:,colCoord+i]) for i in xrange(3)]
|
||||
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
|
||||
if table.data[:,9:].shape[1] < 3:
|
||||
table.data = np.hstack((table.data,
|
||||
np.zeros((table.data.shape[0],
|
||||
3-table.data[:,9:].shape[1]),dtype='f'))) # fill coords up to 3D with zeros
|
||||
|
||||
coords = [np.unique(table.data[:,9+i]) for i in xrange(3)]
|
||||
mincorner = np.array(map(min,coords))
|
||||
maxcorner = np.array(map(max,coords))
|
||||
grid = np.array(map(len,coords),'i')
|
||||
size = grid/np.maximum(np.ones(3,'d'), grid-1.0) * (maxcorner-mincorner) # size from edge to edge = dim * n/(n-1)
|
||||
size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # grid==1 spacing set to smallest among other ones
|
||||
size = np.where(grid > 1, size, min(size[grid > 1]/grid[grid > 1])) # spacing for grid==1 set to smallest among other spacings
|
||||
|
||||
N = grid.prod()
|
||||
|
||||
# --------------- figure out columns to process ---------------------------------------------------
|
||||
key = '1_'+options.defgrad
|
||||
if table.label_index(key) == -1:
|
||||
damask.util.croak('column "{}" not found...'.format(key))
|
||||
|
||||
if N != len(table.data): errors.append('data count {} does not match grid {}x{}x{}.'.format(N,*grid))
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
else:
|
||||
column = table.label_index(key) # remember columns of requested data
|
||||
|
||||
# ------------------------------------------ assemble header ---------------------------------------
|
||||
if options.shape: table.labels_append(['shapeMismatch({})'.format(options.defgrad)])
|
||||
if options.volume: table.labels_append(['volMismatch({})'.format(options.defgrad)])
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ read deformation gradient field -----------------------
|
||||
table.data_rewind()
|
||||
F = np.zeros(N*9,'d').reshape([3,3]+list(grid))
|
||||
idx = 0
|
||||
while table.data_read():
|
||||
(x,y,z) = damask.util.gridLocation(idx,grid) # figure out (x,y,z) position from line count
|
||||
idx += 1
|
||||
F[0:3,0:3,x,y,z] = np.array(map(float,table.data[column:column+9]),'d').reshape(3,3)
|
||||
|
||||
Favg = damask.core.math.tensorAvg(F)
|
||||
centres = damask.core.mesh.deformedCoordsFFT(size,F,Favg,[1.0,1.0,1.0])
|
||||
|
||||
nodes = damask.core.mesh.nodesAroundCentres(size,Favg,centres)
|
||||
if options.shape: shapeMismatch = damask.core.mesh.shapeMismatch( size,F,nodes,centres)
|
||||
if options.volume: volumeMismatch = damask.core.mesh.volumeMismatch(size,F,nodes)
|
||||
# -----------------------------process data and assemble header -------------------------------------
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
table.data_rewind()
|
||||
idx = 0
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
(x,y,z) = damask.util.gridLocation(idx,grid) # figure out (x,y,z) position from line count
|
||||
idx += 1
|
||||
if options.shape: table.data_append( shapeMismatch[x,y,z])
|
||||
if options.volume: table.data_append(volumeMismatch[x,y,z])
|
||||
outputAlive = table.data_write()
|
||||
F_fourier = np.fft.rfftn(table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),axes=(0,1,2)) # perform transform only once...
|
||||
nodes = displacementFluctFFT(F_fourier,grid,size,True,transformed=True)\
|
||||
+ deformationAvgFFT (F_fourier,grid,size,True,transformed=True)
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
if options.shape:
|
||||
table.labels_append(['shapeMismatch({})'.format(options.defgrad)])
|
||||
centres = displacementFluctFFT(F_fourier,grid,size,False,transformed=True)\
|
||||
+ deformationAvgFFT (F_fourier,grid,size,False,transformed=True)
|
||||
|
||||
if options.volume:
|
||||
table.labels_append(['volMismatch({})'.format(options.defgrad)])
|
||||
|
||||
table.head_write()
|
||||
if options.shape:
|
||||
shapeMismatch = shapeMismatch( size,table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),nodes,centres)
|
||||
if options.volume:
|
||||
volumeMismatch = volumeMismatch(size,table.data[:,:9].reshape(grid[2],grid[1],grid[0],3,3),nodes)
|
||||
|
||||
# ------------------------------------------ output data -------------------------------------------
|
||||
for i in xrange(grid[2]):
|
||||
for j in xrange(grid[1]):
|
||||
for k in xrange(grid[0]):
|
||||
table.data_read()
|
||||
if options.shape: table.data_append(shapeMismatch[i,j,k])
|
||||
if options.volume: table.data_append(volumeMismatch[i,j,k])
|
||||
table.data_write()
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
|
|
|
|||
Loading…
Reference in New Issue